# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_b15179
_database_code_depnum_ccdc_archive 'CCDC 1429835'
_audit_update_record             
;
2015-10-06 deposited with the CCDC.
2016-01-06 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H60 Cl4 Cu4 Fe4 P4'
_chemical_formula_weight         1380.20
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   55.660(19)
_cell_length_b                   7.717(3)
_cell_length_c                   36.097(13)
_cell_angle_alpha                90
_cell_angle_beta                 90.196(18)
_cell_angle_gamma                90
_cell_volume                     15504(10)
_cell_formula_units_Z            12
_cell_measurement_temperature    110
_cell_measurement_reflns_used    9949
_cell_measurement_theta_min      2.69
_cell_measurement_theta_max      26.31
_exptl_crystal_description       plate
_exptl_crystal_colour            grey
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.774
_exptl_crystal_F_000             8352
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.421
_exptl_crystal_size_mid          0.112
_exptl_crystal_size_min          0.04
_exptl_absorpt_coefficient_mu    3.067
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4584
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      110
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            49572
_diffrn_reflns_av_unetI/netI     0.0650
_diffrn_reflns_av_R_equivalents  0.0683
_diffrn_reflns_limit_h_min       -63
_diffrn_reflns_limit_h_max       63
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_theta_min         1.128
_diffrn_reflns_theta_max         24.499
_diffrn_reflns_theta_full        24.499
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             12732
_reflns_number_gt                9534
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       Apex2
_computing_cell_refinement       SAINT
_computing_data_reduction        SAINT
_computing_structure_solution    SHELXT
_computing_structure_refinement  SHELXL-2014
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0807P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12732
_refine_ls_number_parameters     865
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0705
_refine_ls_R_factor_gt           0.0424
_refine_ls_wR_factor_ref         0.1496
_refine_ls_wR_factor_gt          0.1120
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_restrained_S_all      1.129
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu -0.20653(2) 1.47034(11) -0.31337(2) 0.0341(2) Uani 1 1 d . . . . .
Cu2 Cu -0.23554(2) 1.81156(11) -0.31465(2) 0.0330(2) Uani 1 1 d . . . . .
Cu3 Cu -0.23101(2) 1.54587(11) -0.38487(2) 0.0304(2) Uani 1 1 d . . . . .
Cu4 Cu -0.18810(2) 1.80456(11) -0.36147(2) 0.0307(2) Uani 1 1 d . . . . .
Cu5 Cu -0.02324(2) 1.48985(11) -0.27682(2) 0.0289(2) Uani 1 1 d . . . . .
Cu6 Cu 0.01442(2) 1.78680(12) -0.28736(2) 0.0351(2) Uani 1 1 d . . . . .
Fe1 Fe -0.10614(2) 1.57827(12) -0.27424(2) 0.0239(2) Uani 1 1 d . . . . .
Fe2 Fe -0.32979(2) 2.36004(11) -0.34461(2) 0.0186(2) Uani 1 1 d . . . . .
Fe3 Fe -0.19388(2) 0.79001(11) -0.52060(2) 0.0193(2) Uani 1 1 d . . . . .
Fe4 Fe -0.10585(2) 2.29766(12) -0.46319(2) 0.0220(2) Uani 1 1 d . . . . .
Fe5 Fe -0.01379(2) 0.79929(11) -0.43548(2) 0.0211(2) Uani 1 1 d . . . . .
Fe6 Fe 0.08257(2) 2.34840(12) -0.40468(2) 0.0199(2) Uani 1 1 d . . . . .
Cl1 Cl -0.24789(3) 1.5113(2) -0.32446(4) 0.0253(4) Uani 1 1 d . . . . .
Cl2 Cl -0.19611(3) 1.7521(2) -0.29262(4) 0.0222(3) Uani 1 1 d . . . . .
Cl3 Cl -0.18601(3) 1.5064(2) -0.37407(4) 0.0252(4) Uani 1 1 d . . . . .
Cl4 Cl -0.22853(3) 1.8492(2) -0.38111(4) 0.0256(4) Uani 1 1 d . . . . .
Cl5 Cl -0.02591(3) 1.7874(2) -0.29142(4) 0.0296(4) Uani 1 1 d . . . . .
Cl6 Cl 0.02270(3) 1.4849(2) -0.28773(4) 0.0245(4) Uani 1 1 d . . . . .
P1 P -0.19102(3) 1.2445(2) -0.28729(4) 0.0257(4) Uani 1 1 d . . . . .
H10C H -0.1994 1.2236 -0.2636 0.031 Uiso 1 1 calc R U . . .
H10D H -0.1939 1.1429 -0.3034 0.031 Uiso 1 1 calc R U . . .
P2 P -0.25900(3) 1.9938(2) -0.28680(4) 0.0260(4) Uani 1 1 d . . . . .
H10E H -0.2609 1.9547 -0.2609 0.031 Uiso 1 1 calc R U . . .
H10F H -0.2508 2.1075 -0.2861 0.031 Uiso 1 1 calc R U . . .
P3 P -0.23913(3) 1.3406(2) -0.42415(4) 0.0239(4) Uani 1 1 d . . . . .
H10G H -0.2501 1.2569 -0.4121 0.029 Uiso 1 1 calc R U . . .
H10H H -0.2479 1.3919 -0.4454 0.029 Uiso 1 1 calc R U . . .
P4 P -0.15950(3) 1.9933(2) -0.36844(4) 0.0255(4) Uani 1 1 d . . . . .
H10I H -0.1673 2.1064 -0.3732 0.031 Uiso 1 1 calc R U . . .
H10J H -0.1512 2.0033 -0.3442 0.031 Uiso 1 1 calc R U . . .
P5 P -0.03731(3) 1.2934(2) -0.31429(4) 0.0248(4) Uani 1 1 d . . . . .
H10K H -0.0438 1.1972 -0.2992 0.030 Uiso 1 1 calc R U . . .
H10L H -0.0509 1.3445 -0.3284 0.030 Uiso 1 1 calc R U . . .
P6 P 0.04330(3) 1.9724(2) -0.29316(4) 0.0261(4) Uani 1 1 d . . . . .
H10M H 0.0375 2.0825 -0.2823 0.031 Uiso 1 1 calc R U . . .
H10N H 0.0566 1.9315 -0.2771 0.031 Uiso 1 1 calc R U . . .
C1 C -0.15857(11) 1.2604(8) -0.27792(17) 0.0265(15) Uani 1 1 d . . . . .
H1A H -0.1522 1.1443 -0.2715 0.032 Uiso 1 1 calc R U . . .
H1B H -0.1502 1.3003 -0.3006 0.032 Uiso 1 1 calc R U . . .
C2 C -0.15334(11) 1.3846(8) -0.24664(15) 0.0241(15) Uani 1 1 d . . . . .
H2A H -0.1620 1.4946 -0.2513 0.029 Uiso 1 1 calc R U . . .
H2B H -0.1596 1.3351 -0.2233 0.029 Uiso 1 1 calc R U . . .
C3 C -0.28905(12) 2.0264(8) -0.30666(15) 0.0247(15) Uani 1 1 d . . . . .
H3A H -0.2982 1.9165 -0.3054 0.030 Uiso 1 1 calc R U . . .
H3B H -0.2978 2.1142 -0.2919 0.030 Uiso 1 1 calc R U . . .
C4 C -0.28759(11) 2.0861(8) -0.34661(14) 0.0221(14) Uani 1 1 d . . . . .
H4A H -0.2757 2.1812 -0.3484 0.027 Uiso 1 1 calc R U . . .
H4B H -0.2817 1.9889 -0.3620 0.027 Uiso 1 1 calc R U . . .
C5 C -0.21348(11) 1.2226(8) -0.44189(15) 0.0227(14) Uani 1 1 d . . . . .
H5A H -0.2022 1.3065 -0.4532 0.027 Uiso 1 1 calc R U . . .
H5B H -0.2051 1.1668 -0.4208 0.027 Uiso 1 1 calc R U . . .
C6 C -0.21952(11) 1.0836(8) -0.47063(15) 0.0219(14) Uani 1 1 d . . . . .
H6A H -0.2309 0.9993 -0.4597 0.026 Uiso 1 1 calc R U . . .
H6B H -0.2275 1.1385 -0.4922 0.026 Uiso 1 1 calc R U . . .
C7 C -0.13603(12) 1.9674(9) -0.40366(17) 0.0301(16) Uani 1 1 d . . . . .
H7A H -0.1331 1.8421 -0.4075 0.036 Uiso 1 1 calc R U . . .
H7B H -0.1420 2.0158 -0.4274 0.036 Uiso 1 1 calc R U . . .
C8 C -0.11223(12) 2.0549(9) -0.39386(16) 0.0295(16) Uani 1 1 d . . . . .
H8A H -0.1155 2.1603 -0.3791 0.035 Uiso 1 1 calc R U . . .
H8B H -0.1026 1.9753 -0.3782 0.035 Uiso 1 1 calc R U . . .
C9 C -0.01606(12) 1.2038(8) -0.34718(15) 0.0266(15) Uani 1 1 d . . . . .
H9A H -0.0088 1.3001 -0.3614 0.032 Uiso 1 1 calc R U . . .
H9B H -0.0030 1.1458 -0.3333 0.032 Uiso 1 1 calc R U . . .
C10 C -0.02702(11) 1.0733(9) -0.37451(16) 0.0266(15) Uani 1 1 d . . . . .
H10A H -0.0341 0.9756 -0.3605 0.032 Uiso 1 1 calc R U . . .
H10B H -0.0401 1.1303 -0.3886 0.032 Uiso 1 1 calc R U . . .
C11 C 0.05659(11) 2.0265(8) -0.33786(16) 0.0242(15) Uani 1 1 d . . . . .
H11A H 0.0571 1.9209 -0.3534 0.029 Uiso 1 1 calc R U . . .
H11B H 0.0462 2.1123 -0.3506 0.029 Uiso 1 1 calc R U . . .
C12 C 0.08169(12) 2.0997(9) -0.33420(16) 0.0274(15) Uani 1 1 d . . . . .
H12A H 0.0812 2.2015 -0.3175 0.033 Uiso 1 1 calc R U . . .
H12B H 0.0921 2.0115 -0.3224 0.033 Uiso 1 1 calc R U . . .
C13 C -0.12710(11) 1.4223(9) -0.24194(15) 0.0255(15) Uani 1 1 d . . . . .
C14 C -0.11712(12) 1.5595(9) -0.22041(16) 0.0274(15) Uani 1 1 d . . . . .
H14A H -0.1265 1.6491 -0.2066 0.033 Uiso 1 1 calc R U . . .
C15 C -0.09185(12) 1.5501(10) -0.22252(17) 0.0320(17) Uani 1 1 d . . . . .
H15A H -0.0803 1.6311 -0.2103 0.038 Uiso 1 1 calc R U . . .
C16 C -0.08570(12) 1.4049(9) -0.24507(17) 0.0322(17) Uani 1 1 d . . . . .
H16A H -0.0691 1.3663 -0.2515 0.039 Uiso 1 1 calc R U . . .
C17 C -0.10746(12) 1.3261(9) -0.25719(16) 0.0296(16) Uani 1 1 d . . . . .
H17A H -0.1088 1.2222 -0.2736 0.036 Uiso 1 1 calc R U . . .
C18 C -0.11955(14) 1.8074(9) -0.29332(18) 0.0367(18) Uani 1 1 d . . . . .
H18A H -0.1296 1.8912 -0.2790 0.044 Uiso 1 1 calc R U . . .
C19 C -0.09433(13) 1.8088(9) -0.29612(17) 0.0334(17) Uani 1 1 d . . . . .
H19A H -0.0833 1.8927 -0.2836 0.040 Uiso 1 1 calc R U . . .
C20 C -0.08725(13) 1.6717(9) -0.31892(17) 0.0338(18) Uani 1 1 d . . . . .
H20A H -0.0704 1.6409 -0.3256 0.041 Uiso 1 1 calc R U . . .
C21 C -0.10798(15) 1.5853(10) -0.33074(17) 0.042(2) Uani 1 1 d . . . . .
H21A H -0.1084 1.4821 -0.3475 0.050 Uiso 1 1 calc R U . . .
C22 C -0.12810(14) 1.6676(10) -0.31513(19) 0.042(2) Uani 1 1 d . . . . .
H22A H -0.1453 1.6349 -0.3191 0.051 Uiso 1 1 calc R U . . .
C23 C -0.31112(11) 2.1479(8) -0.36179(14) 0.0206(14) Uani 1 1 d . . . . .
C24 C -0.31393(12) 2.2695(8) -0.39113(15) 0.0237(15) Uani 1 1 d . . . . .
H24A H -0.3006 2.3274 -0.4049 0.028 Uiso 1 1 calc R U . . .
C25 C -0.33867(12) 2.2939(9) -0.39759(15) 0.0282(16) Uani 1 1 d . . . . .
H25A H -0.3459 2.3725 -0.4166 0.034 Uiso 1 1 calc R U . . .
C26 C -0.35139(12) 2.1903(8) -0.37203(16) 0.0266(15) Uani 1 1 d . . . . .
H26A H -0.3693 2.1826 -0.3698 0.032 Uiso 1 1 calc R U . . .
C27 C -0.33449(12) 2.0988(8) -0.35032(16) 0.0251(15) Uani 1 1 d . . . . .
H27A H -0.3383 2.0158 -0.3299 0.030 Uiso 1 1 calc R U . . .
C28 C -0.31050(12) 2.4676(8) -0.30235(15) 0.0219(14) Uani 1 1 d . . . . .
H28A H -0.2953 2.4196 -0.2917 0.026 Uiso 1 1 calc R U . . .
C29 C -0.31205(12) 2.5863(8) -0.33204(15) 0.0246(15) Uani 1 1 d . . . . .
H29A H -0.2983 2.6380 -0.3460 0.029 Uiso 1 1 calc R U . . .
C30 C -0.33667(12) 2.6166(8) -0.33856(16) 0.0284(16) Uani 1 1 d . . . . .
H30A H -0.3434 2.6942 -0.3582 0.034 Uiso 1 1 calc R U . . .
C31 C -0.35043(12) 2.5198(9) -0.31277(16) 0.0288(16) Uani 1 1 d . . . . .
H31A H -0.3683 2.5180 -0.3108 0.035 Uiso 1 1 calc R U . . .
C32 C -0.33392(11) 2.4257(8) -0.29032(15) 0.0249(15) Uani 1 1 d . . . . .
H32A H -0.3381 2.3451 -0.2696 0.030 Uiso 1 1 calc R U . . .
C33 C -0.19733(11) 0.9898(8) -0.48338(14) 0.0201(14) Uani 1 1 d . . . . .
C34 C -0.18650(11) 0.8417(8) -0.46620(15) 0.0229(14) Uani 1 1 d . . . . .
H34A H -0.1931 0.7770 -0.4445 0.027 Uiso 1 1 calc R U . . .
C35 C -0.16532(12) 0.7994(9) -0.48533(17) 0.0304(16) Uani 1 1 d . . . . .
H35A H -0.1542 0.7014 -0.4794 0.036 Uiso 1 1 calc R U . . .
C36 C -0.16241(12) 0.9222(9) -0.51451(16) 0.0271(15) Uani 1 1 d . . . . .
H36A H -0.1489 0.9258 -0.5327 0.032 Uiso 1 1 calc R U . . .
C37 C -0.18213(11) 1.0382(8) -0.51307(15) 0.0226(14) Uani 1 1 d . . . . .
H37A H -0.1850 1.1370 -0.5305 0.027 Uiso 1 1 calc R U . . .
C38 C -0.21622(13) 0.5791(9) -0.52214(18) 0.0342(17) Uani 1 1 d . . . . .
H38A H -0.2227 0.5145 -0.5003 0.041 Uiso 1 1 calc R U . . .
C39 C -0.19453(14) 0.5442(9) -0.5410(2) 0.042(2) Uani 1 1 d . . . . .
H39A H -0.1829 0.4501 -0.5346 0.050 Uiso 1 1 calc R U . . .
C40 C -0.19209(13) 0.6642(10) -0.57034(18) 0.0377(18) Uani 1 1 d . . . . .
H40A H -0.1785 0.6698 -0.5884 0.045 Uiso 1 1 calc R U . . .
C41 C -0.21224(12) 0.7741(9) -0.56971(15) 0.0280(16) Uani 1 1 d . . . . .
H41A H -0.2154 0.8723 -0.5871 0.034 Uiso 1 1 calc R U . . .
C42 C -0.22724(12) 0.7220(8) -0.54020(16) 0.0276(15) Uani 1 1 d . . . . .
H42A H -0.2428 0.7772 -0.5331 0.033 Uiso 1 1 calc R U . . .
C43 C -0.09790(12) 2.1037(8) -0.42686(17) 0.0266(15) Uani 1 1 d . . . . .
C44 C -0.07929(11) 2.2305(9) -0.42779(18) 0.0293(16) Uani 1 1 d . . . . .
H44A H -0.0736 2.3009 -0.4062 0.035 Uiso 1 1 calc R U . . .
C45 C -0.07011(12) 2.2413(9) -0.46464(19) 0.0340(17) Uani 1 1 d . . . . .
H45A H -0.0570 2.3204 -0.4733 0.041 Uiso 1 1 calc R U . . .
C46 C -0.08297(12) 2.1217(8) -0.48678(17) 0.0272(15) Uani 1 1 d . . . . .
H46A H -0.0807 2.1022 -0.5139 0.033 Uiso 1 1 calc R U . . .
C47 C -0.09983(12) 2.0352(9) -0.46376(17) 0.0277(15) Uani 1 1 d . . . . .
H47A H -0.1116 1.9452 -0.4721 0.033 Uiso 1 1 calc R U . . .
C48 C -0.13351(12) 2.4336(9) -0.44072(17) 0.0299(16) Uani 1 1 d . . . . .
H48A H -0.1402 2.4180 -0.4153 0.036 Uiso 1 1 calc R U . . .
C49 C -0.11469(12) 2.5462(9) -0.4507(2) 0.0359(17) Uani 1 1 d . . . . .
H49A H -0.1057 2.6250 -0.4336 0.043 Uiso 1 1 calc R U . . .
C50 C -0.11095(15) 2.5288(11) -0.4895(2) 0.048(2) Uani 1 1 d . . . . .
H50A H -0.0987 2.5925 -0.5045 0.058 Uiso 1 1 calc R U . . .
C51 C -0.12734(15) 2.4063(11) -0.50287(19) 0.047(2) Uani 1 1 d . . . . .
H51A H -0.1288 2.3667 -0.5292 0.056 Uiso 1 1 calc R U . . .
C52 C -0.14116(12) 2.3472(9) -0.47301(19) 0.0345(17) Uani 1 1 d . . . . .
H52A H -0.1543 2.2587 -0.4744 0.041 Uiso 1 1 calc R U . . .
C53 C -0.00881(11) 1.0050(8) -0.40092(15) 0.0224(14) Uani 1 1 d . . . . .
C54 C 0.00865(12) 0.8735(8) -0.39350(16) 0.0264(15) Uani 1 1 d . . . . .
H54A H 0.0109 0.8115 -0.3694 0.032 Uiso 1 1 calc R U . . .
C55 C 0.02212(12) 0.8448(9) -0.42605(17) 0.0278(15) Uani 1 1 d . . . . .
H55A H 0.0354 0.7585 -0.4290 0.033 Uiso 1 1 calc R U . . .
C56 C 0.01315(12) 0.9567(9) -0.45427(17) 0.0277(15) Uani 1 1 d . . . . .
H56A H 0.0191 0.9648 -0.4803 0.033 Uiso 1 1 calc R U . . .
C57 C -0.00565(12) 1.0557(8) -0.43841(15) 0.0246(15) Uani 1 1 d . . . . .
H57A H -0.0154 1.1455 -0.4517 0.030 Uiso 1 1 calc R U . . .
C58 C -0.01863(13) 0.5406(9) -0.4432(2) 0.0395(19) Uani 1 1 d . . . . .
H58A H -0.0060 0.4490 -0.4404 0.047 Uiso 1 1 calc R U . . .
C59 C -0.02434(12) 0.6323(9) -0.47627(18) 0.0328(17) Uani 1 1 d . . . . .
H59A H -0.0163 0.6170 -0.5008 0.039 Uiso 1 1 calc R U . . .
C60 C -0.04307(13) 0.7480(9) -0.4686(2) 0.0360(17) Uani 1 1 d . . . . .
H60A H -0.0506 0.8301 -0.4866 0.043 Uiso 1 1 calc R U . . .
C61 C -0.04902(13) 0.7319(9) -0.4302(2) 0.0385(18) Uani 1 1 d . . . . .
H61A H -0.0616 0.7990 -0.4167 0.046 Uiso 1 1 calc R U . . .
C62 C -0.03384(14) 0.6027(10) -0.41477(19) 0.0404(19) Uani 1 1 d . . . . .
H62A H -0.0339 0.5624 -0.3884 0.048 Uiso 1 1 calc R U . . .
C63 C 0.09293(11) 2.1538(8) -0.37011(16) 0.0218(14) Uani 1 1 d . . . . .
C64 C 0.11169(11) 2.2804(9) -0.37383(17) 0.0269(15) Uani 1 1 d . . . . .
H64A H 0.1190 2.3498 -0.3533 0.032 Uiso 1 1 calc R U . . .
C65 C 0.11773(12) 2.2903(9) -0.41167(18) 0.0300(16) Uani 1 1 d . . . . .
H65A H 0.1301 2.3689 -0.4226 0.036 Uiso 1 1 calc R U . . .
C66 C 0.10328(12) 2.1706(8) -0.43177(17) 0.0294(16) Uani 1 1 d . . . . .
H66A H 0.1037 2.1515 -0.4592 0.035 Uiso 1 1 calc R U . . .
C67 C 0.08792(12) 2.0855(9) -0.40636(16) 0.0264(15) Uani 1 1 d . . . . .
H67A H 0.0756 1.9960 -0.4126 0.032 Uiso 1 1 calc R U . . .
C68 C 0.07239(12) 2.5874(9) -0.38685(16) 0.0276(16) Uani 1 1 d . . . . .
H68A H 0.0807 2.6585 -0.3675 0.033 Uiso 1 1 calc R U . . .
C69 C 0.07694(12) 2.5914(9) -0.42550(16) 0.0277(16) Uani 1 1 d . . . . .
H69A H 0.0890 2.6655 -0.4384 0.033 Uiso 1 1 calc R U . . .
C70 C 0.06128(12) 2.4711(9) -0.44223(16) 0.0301(17) Uani 1 1 d . . . . .
H70A H 0.0605 2.4445 -0.4693 0.036 Uiso 1 1 calc R U . . .
C71 C 0.04716(12) 2.3945(9) -0.41502(18) 0.0310(16) Uani 1 1 d . . . . .
H71A H 0.0344 2.3053 -0.4190 0.037 Uiso 1 1 calc R U . . .
C72 C 0.05403(12) 2.4684(9) -0.38068(16) 0.0283(16) Uani 1 1 d . . . . .
H72A H 0.0470 2.4387 -0.3560 0.034 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 P1 2.159(2) . ?
Cu1 Cl1 2.356(2) . ?
Cu1 Cl2 2.3711(19) . ?
Cu1 Cl3 2.4902(18) . ?
Cu1 Cu3 2.9723(14) . ?
Cu2 P2 2.1685(19) . ?
Cu2 Cl2 2.3762(18) . ?
Cu2 Cl1 2.442(2) . ?
Cu2 Cl4 2.4493(17) . ?
Cu3 P3 2.1724(19) . ?
Cu3 Cl4 2.348(2) . ?
Cu3 Cl1 2.3922(18) . ?
Cu3 Cl3 2.552(2) . ?
Cu4 P4 2.173(2) . ?
Cu4 Cl3 2.349(2) . ?
Cu4 Cl4 2.3820(19) . ?
Cu4 Cl2 2.5584(17) . ?
Cu5 P5 2.1757(19) . ?
Cu5 Cl6 2.3302(17) 2_554 ?
Cu5 Cl5 2.361(2) . ?
Cu5 Cl6 2.5887(19) . ?
Cu6 P6 2.164(2) . ?
Cu6 Cl5 2.249(2) . ?
Cu6 Cl6 2.375(2) . ?
Fe1 C22 2.034(6) . ?
Fe1 C18 2.038(7) . ?
Fe1 C15 2.038(6) . ?
Fe1 C21 2.042(6) . ?
Fe1 C17 2.043(7) . ?
Fe1 C14 2.044(6) . ?
Fe1 C13 2.045(6) . ?
Fe1 C16 2.046(6) . ?
Fe1 C19 2.055(7) . ?
Fe1 C20 2.058(6) . ?
Fe2 C24 2.024(6) . ?
Fe2 C30 2.028(7) . ?
Fe2 C26 2.033(6) . ?
Fe2 C23 2.037(6) . ?
Fe2 C32 2.038(6) . ?
Fe2 C25 2.038(6) . ?
Fe2 C28 2.039(6) . ?
Fe2 C31 2.042(6) . ?
Fe2 C27 2.043(6) . ?
Fe2 C29 2.056(6) . ?
Fe3 C35 2.035(6) . ?
Fe3 C39 2.035(7) . ?
Fe3 C36 2.038(6) . ?
Fe3 C37 2.042(6) . ?
Fe3 C34 2.044(5) . ?
Fe3 C40 2.044(6) . ?
Fe3 C41 2.047(6) . ?
Fe3 C38 2.049(7) . ?
Fe3 C42 2.053(7) . ?
Fe3 C33 2.054(6) . ?
Fe4 C44 2.018(6) . ?
Fe4 C49 2.031(7) . ?
Fe4 C52 2.033(7) . ?
Fe4 C48 2.034(6) . ?
Fe4 C45 2.037(7) . ?
Fe4 C43 2.037(6) . ?
Fe4 C50 2.040(7) . ?
Fe4 C51 2.043(7) . ?
Fe4 C46 2.049(6) . ?
Fe4 C47 2.053(7) . ?
Fe5 C62 2.028(7) . ?
Fe5 C57 2.033(7) . ?
Fe5 C58 2.033(7) . ?
Fe5 C53 2.037(6) . ?
Fe5 C61 2.038(7) . ?
Fe5 C59 2.041(6) . ?
Fe5 C54 2.043(6) . ?
Fe5 C56 2.048(7) . ?
Fe5 C60 2.056(7) . ?
Fe5 C55 2.057(6) . ?
Fe6 C65 2.024(6) . ?
Fe6 C70 2.032(6) . ?
Fe6 C64 2.032(6) . ?
Fe6 C68 2.034(6) . ?
Fe6 C63 2.035(6) . ?
Fe6 C72 2.035(6) . ?
Fe6 C71 2.036(6) . ?
Fe6 C66 2.043(6) . ?
Fe6 C69 2.044(6) . ?
Fe6 C67 2.051(7) . ?
Cl6 Cu5 2.3303(17) 2_554 ?
P1 C1 1.840(6) . ?
P1 H10C 0.9900 . ?
P1 H10D 0.9900 . ?
P2 C3 1.835(7) . ?
P2 H10E 0.9900 . ?
P2 H10F 0.9900 . ?
P3 C5 1.812(6) . ?
P3 H10G 0.9900 . ?
P3 H10H 0.9900 . ?
P4 C7 1.837(6) . ?
P4 H10I 0.9900 . ?
P4 H10J 0.9900 . ?
P5 C9 1.816(6) . ?
P5 H10K 0.9900 . ?
P5 H10L 0.9900 . ?
P6 C11 1.826(6) . ?
P6 H10M 0.9900 . ?
P6 H10N 0.9900 . ?
C1 C2 1.508(8) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C13 1.498(9) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.516(8) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C23 1.496(8) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.529(8) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C33 1.505(8) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.528(9) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C43 1.484(9) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.534(8) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C53 1.490(8) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.512(9) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C63 1.500(8) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.425(9) . ?
C13 C17 1.433(9) . ?
C14 C15 1.410(9) . ?
C14 H14A 1.0000 . ?
C15 C16 1.427(10) . ?
C15 H15A 1.0000 . ?
C16 C17 1.423(9) . ?
C16 H16A 1.0000 . ?
C17 H17A 1.0000 . ?
C18 C19 1.408(10) . ?
C18 C22 1.417(10) . ?
C18 H18A 1.0000 . ?
C19 C20 1.398(10) . ?
C19 H19A 1.0000 . ?
C20 C21 1.398(10) . ?
C20 H20A 1.0000 . ?
C21 C22 1.407(11) . ?
C21 H21A 1.0000 . ?
C22 H22A 1.0000 . ?
C23 C27 1.418(9) . ?
C23 C24 1.423(8) . ?
C24 C25 1.409(9) . ?
C24 H24A 1.0000 . ?
C25 C26 1.413(9) . ?
C25 H25A 1.0000 . ?
C26 C27 1.412(9) . ?
C26 H26A 1.0000 . ?
C27 H27A 1.0000 . ?
C28 C32 1.413(9) . ?
C28 C29 1.413(8) . ?
C28 H28A 1.0000 . ?
C29 C30 1.409(9) . ?
C29 H29A 1.0000 . ?
C30 C31 1.419(9) . ?
C30 H30A 1.0000 . ?
C31 C32 1.423(9) . ?
C31 H31A 1.0000 . ?
C32 H32A 1.0000 . ?
C33 C37 1.418(8) . ?
C33 C34 1.432(8) . ?
C34 C35 1.407(9) . ?
C34 H34A 1.0000 . ?
C35 C36 1.427(9) . ?
C35 H35A 1.0000 . ?
C36 C37 1.417(9) . ?
C36 H36A 1.0000 . ?
C37 H37A 1.0000 . ?
C38 C39 1.414(10) . ?
C38 C42 1.419(9) . ?
C38 H38A 1.0000 . ?
C39 C40 1.414(10) . ?
C39 H39A 1.0000 . ?
C40 C41 1.407(10) . ?
C40 H40A 1.0000 . ?
C41 C42 1.414(9) . ?
C41 H41A 1.0000 . ?
C42 H42A 1.0000 . ?
C43 C44 1.425(9) . ?
C43 C47 1.437(9) . ?
C44 C45 1.429(9) . ?
C44 H44A 1.0000 . ?
C45 C46 1.414(10) . ?
C45 H45A 1.0000 . ?
C46 C47 1.422(9) . ?
C46 H46A 1.0000 . ?
C47 H47A 1.0000 . ?
C48 C52 1.407(9) . ?
C48 C49 1.409(10) . ?
C48 H48A 1.0000 . ?
C49 C50 1.422(10) . ?
C49 H49A 1.0000 . ?
C50 C51 1.398(12) . ?
C50 H50A 1.0000 . ?
C51 C52 1.403(10) . ?
C51 H51A 1.0000 . ?
C52 H52A 1.0000 . ?
C53 C57 1.420(8) . ?
C53 C54 1.429(9) . ?
C54 C55 1.413(9) . ?
C54 H54A 1.0000 . ?
C55 C56 1.424(9) . ?
C55 H55A 1.0000 . ?
C56 C57 1.418(9) . ?
C56 H56A 1.0000 . ?
C57 H57A 1.0000 . ?
C58 C62 1.415(10) . ?
C58 C59 1.424(10) . ?
C58 H58A 1.0000 . ?
C59 C60 1.401(10) . ?
C59 H59A 1.0000 . ?
C60 C61 1.432(10) . ?
C60 H60A 1.0000 . ?
C61 C62 1.419(10) . ?
C61 H61A 1.0000 . ?
C62 H62A 1.0000 . ?
C63 C64 1.437(9) . ?
C63 C67 1.437(8) . ?
C64 C65 1.410(9) . ?
C64 H64A 1.0000 . ?
C65 C66 1.422(9) . ?
C65 H65A 1.0000 . ?
C66 C67 1.417(9) . ?
C66 H66A 1.0000 . ?
C67 H67A 1.0000 . ?
C68 C72 1.392(9) . ?
C68 C69 1.419(8) . ?
C68 H68A 1.0000 . ?
C69 C70 1.408(9) . ?
C69 H69A 1.0000 . ?
C70 C71 1.392(9) . ?
C70 H70A 1.0000 . ?
C71 C72 1.416(9) . ?
C71 H71A 1.0000 . ?
C72 H72A 1.0000 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Cu1 Cl1 124.85(7) . . ?
P1 Cu1 Cl2 120.35(7) . . ?
Cl1 Cu1 Cl2 99.69(6) . . ?
P1 Cu1 Cl3 106.84(7) . . ?
Cl1 Cu1 Cl3 106.64(6) . . ?
Cl2 Cu1 Cl3 93.61(6) . . ?
P1 Cu1 Cu3 135.91(6) . . ?
Cl1 Cu1 Cu3 51.79(4) . . ?
Cl2 Cu1 Cu3 101.85(5) . . ?
Cl3 Cu1 Cu3 54.85(5) . . ?
P2 Cu2 Cl2 121.81(7) . . ?
P2 Cu2 Cl1 120.85(7) . . ?
Cl2 Cu2 Cl1 97.16(6) . . ?
P2 Cu2 Cl4 118.39(7) . . ?
Cl2 Cu2 Cl4 101.57(6) . . ?
Cl1 Cu2 Cl4 90.92(6) . . ?
P3 Cu3 Cl4 140.93(7) . . ?
P3 Cu3 Cl1 115.62(7) . . ?
Cl4 Cu3 Cl1 94.68(6) . . ?
P3 Cu3 Cl3 102.38(6) . . ?
Cl4 Cu3 Cl3 93.02(6) . . ?
Cl1 Cu3 Cl3 103.63(6) . . ?
P3 Cu3 Cu1 121.17(6) . . ?
Cl4 Cu3 Cu1 96.80(5) . . ?
Cl1 Cu3 Cu1 50.71(5) . . ?
Cl3 Cu3 Cu1 52.92(4) . . ?
P4 Cu4 Cl3 126.68(7) . . ?
P4 Cu4 Cl4 124.09(7) . . ?
Cl3 Cu4 Cl4 97.54(6) . . ?
P4 Cu4 Cl2 110.41(6) . . ?
Cl3 Cu4 Cl2 92.41(6) . . ?
Cl4 Cu4 Cl2 98.30(6) . . ?
P5 Cu5 Cl6 127.85(7) . 2_554 ?
P5 Cu5 Cl5 121.10(7) . . ?
Cl6 Cu5 Cl5 103.88(6) 2_554 . ?
P5 Cu5 Cl6 104.41(6) . . ?
Cl6 Cu5 Cl6 98.19(6) 2_554 . ?
Cl5 Cu5 Cl6 92.40(6) . . ?
P6 Cu6 Cl5 137.23(8) . . ?
P6 Cu6 Cl6 120.30(8) . . ?
Cl5 Cu6 Cl6 101.26(7) . . ?
C22 Fe1 C18 40.7(3) . . ?
C22 Fe1 C15 158.8(3) . . ?
C18 Fe1 C15 122.9(3) . . ?
C22 Fe1 C21 40.4(3) . . ?
C18 Fe1 C21 67.8(3) . . ?
C15 Fe1 C21 159.3(3) . . ?
C22 Fe1 C17 121.3(3) . . ?
C18 Fe1 C17 156.2(3) . . ?
C15 Fe1 C17 68.7(3) . . ?
C21 Fe1 C17 108.9(3) . . ?
C22 Fe1 C14 122.2(3) . . ?
C18 Fe1 C14 105.8(3) . . ?
C15 Fe1 C14 40.4(3) . . ?
C21 Fe1 C14 159.6(3) . . ?
C17 Fe1 C14 68.6(3) . . ?
C22 Fe1 C13 105.7(3) . . ?
C18 Fe1 C13 119.6(3) . . ?
C15 Fe1 C13 68.7(3) . . ?
C21 Fe1 C13 123.9(3) . . ?
C17 Fe1 C13 41.0(2) . . ?
C14 Fe1 C13 40.8(2) . . ?
C22 Fe1 C16 158.0(3) . . ?
C18 Fe1 C16 160.7(3) . . ?
C15 Fe1 C16 40.9(3) . . ?
C21 Fe1 C16 123.9(3) . . ?
C17 Fe1 C16 40.7(3) . . ?
C14 Fe1 C16 68.4(3) . . ?
C13 Fe1 C16 68.8(3) . . ?
C22 Fe1 C19 67.7(3) . . ?
C18 Fe1 C19 40.2(3) . . ?
C15 Fe1 C19 108.7(3) . . ?
C21 Fe1 C19 66.9(3) . . ?
C17 Fe1 C19 162.2(3) . . ?
C14 Fe1 C19 121.6(3) . . ?
C13 Fe1 C19 155.9(3) . . ?
C16 Fe1 C19 125.9(3) . . ?
C22 Fe1 C20 67.7(3) . . ?
C18 Fe1 C20 67.6(3) . . ?
C15 Fe1 C20 123.8(3) . . ?
C21 Fe1 C20 39.9(3) . . ?
C17 Fe1 C20 126.1(3) . . ?
C14 Fe1 C20 157.6(3) . . ?
C13 Fe1 C20 161.3(3) . . ?
C16 Fe1 C20 110.3(3) . . ?
C19 Fe1 C20 39.7(3) . . ?
C24 Fe2 C30 120.6(3) . . ?
C24 Fe2 C26 68.4(3) . . ?
C30 Fe2 C26 124.7(3) . . ?
C24 Fe2 C23 41.0(2) . . ?
C30 Fe2 C23 156.1(3) . . ?
C26 Fe2 C23 68.6(3) . . ?
C24 Fe2 C32 159.1(3) . . ?
C30 Fe2 C32 68.4(3) . . ?
C26 Fe2 C32 124.1(3) . . ?
C23 Fe2 C32 123.5(2) . . ?
C24 Fe2 C25 40.6(3) . . ?
C30 Fe2 C25 107.5(3) . . ?
C26 Fe2 C25 40.6(3) . . ?
C23 Fe2 C25 68.6(2) . . ?
C32 Fe2 C25 159.5(3) . . ?
C24 Fe2 C28 122.1(3) . . ?
C30 Fe2 C28 67.8(3) . . ?
C26 Fe2 C28 159.3(2) . . ?
C23 Fe2 C28 106.7(2) . . ?
C32 Fe2 C28 40.5(2) . . ?
C25 Fe2 C28 158.3(3) . . ?
C24 Fe2 C31 157.4(3) . . ?
C30 Fe2 C31 40.8(3) . . ?
C26 Fe2 C31 109.3(3) . . ?
C23 Fe2 C31 160.9(3) . . ?
C32 Fe2 C31 40.8(3) . . ?
C25 Fe2 C31 123.0(3) . . ?
C28 Fe2 C31 68.2(3) . . ?
C24 Fe2 C27 68.4(2) . . ?
C30 Fe2 C27 161.8(3) . . ?
C26 Fe2 C27 40.5(2) . . ?
C23 Fe2 C27 40.7(2) . . ?
C32 Fe2 C27 109.1(2) . . ?
C25 Fe2 C27 68.2(3) . . ?
C28 Fe2 C27 122.9(2) . . ?
C31 Fe2 C27 125.5(3) . . ?
C24 Fe2 C29 105.4(3) . . ?
C30 Fe2 C29 40.4(3) . . ?
C26 Fe2 C29 159.6(2) . . ?
C23 Fe2 C29 120.3(3) . . ?
C32 Fe2 C29 68.4(2) . . ?
C25 Fe2 C29 122.3(2) . . ?
C28 Fe2 C29 40.4(2) . . ?
C31 Fe2 C29 68.5(3) . . ?
C27 Fe2 C29 157.1(3) . . ?
C35 Fe3 C39 105.8(3) . . ?
C35 Fe3 C36 41.0(3) . . ?
C39 Fe3 C36 121.3(3) . . ?
C35 Fe3 C37 68.5(3) . . ?
C39 Fe3 C37 158.1(3) . . ?
C36 Fe3 C37 40.7(3) . . ?
C35 Fe3 C34 40.4(2) . . ?
C39 Fe3 C34 122.2(3) . . ?
C36 Fe3 C34 68.2(2) . . ?
C37 Fe3 C34 68.0(2) . . ?
C35 Fe3 C40 121.8(3) . . ?
C39 Fe3 C40 40.6(3) . . ?
C36 Fe3 C40 106.7(3) . . ?
C37 Fe3 C40 123.1(3) . . ?
C34 Fe3 C40 157.9(3) . . ?
C35 Fe3 C41 158.6(3) . . ?
C39 Fe3 C41 67.8(3) . . ?
C36 Fe3 C41 123.4(3) . . ?
C37 Fe3 C41 109.3(3) . . ?
C34 Fe3 C41 160.3(3) . . ?
C40 Fe3 C41 40.2(3) . . ?
C35 Fe3 C38 121.2(3) . . ?
C39 Fe3 C38 40.5(3) . . ?
C36 Fe3 C38 157.2(3) . . ?
C37 Fe3 C38 160.5(3) . . ?
C34 Fe3 C38 107.5(3) . . ?
C40 Fe3 C38 68.3(3) . . ?
C41 Fe3 C38 68.1(3) . . ?
C35 Fe3 C42 158.2(3) . . ?
C39 Fe3 C42 67.8(3) . . ?
C36 Fe3 C42 160.2(3) . . ?
C37 Fe3 C42 125.1(3) . . ?
C34 Fe3 C42 124.0(2) . . ?
C40 Fe3 C42 67.8(3) . . ?
C41 Fe3 C42 40.3(2) . . ?
C38 Fe3 C42 40.5(3) . . ?
C35 Fe3 C33 68.8(3) . . ?
C39 Fe3 C33 159.1(3) . . ?
C36 Fe3 C33 68.7(2) . . ?
C37 Fe3 C33 40.5(2) . . ?
C34 Fe3 C33 40.9(2) . . ?
C40 Fe3 C33 159.4(3) . . ?
C41 Fe3 C33 124.3(3) . . ?
C38 Fe3 C33 123.8(3) . . ?
C42 Fe3 C33 109.3(3) . . ?
C44 Fe4 C49 106.3(3) . . ?
C44 Fe4 C52 149.8(3) . . ?
C49 Fe4 C52 68.0(3) . . ?
C44 Fe4 C48 115.7(3) . . ?
C49 Fe4 C48 40.6(3) . . ?
C52 Fe4 C48 40.5(3) . . ?
C44 Fe4 C45 41.3(3) . . ?
C49 Fe4 C45 116.4(3) . . ?
C52 Fe4 C45 168.4(3) . . ?
C48 Fe4 C45 149.4(3) . . ?
C44 Fe4 C43 41.1(3) . . ?
C49 Fe4 C43 127.1(3) . . ?
C52 Fe4 C43 117.3(3) . . ?
C48 Fe4 C43 106.6(3) . . ?
C45 Fe4 C43 69.5(3) . . ?
C44 Fe4 C50 128.3(3) . . ?
C49 Fe4 C50 40.9(3) . . ?
C52 Fe4 C50 67.7(3) . . ?
C48 Fe4 C50 68.3(3) . . ?
C45 Fe4 C50 108.0(3) . . ?
C43 Fe4 C50 166.3(3) . . ?
C44 Fe4 C51 167.2(3) . . ?
C49 Fe4 C51 68.0(3) . . ?
C52 Fe4 C51 40.3(3) . . ?
C48 Fe4 C51 68.0(3) . . ?
C45 Fe4 C51 129.7(3) . . ?
C43 Fe4 C51 151.4(3) . . ?
C50 Fe4 C51 40.1(3) . . ?
C44 Fe4 C46 68.8(3) . . ?
C49 Fe4 C46 150.4(3) . . ?
C52 Fe4 C46 130.9(3) . . ?
C48 Fe4 C46 168.5(3) . . ?
C45 Fe4 C46 40.5(3) . . ?
C43 Fe4 C46 69.3(3) . . ?
C50 Fe4 C46 118.1(3) . . ?
C51 Fe4 C46 110.1(3) . . ?
C44 Fe4 C47 68.5(3) . . ?
C49 Fe4 C47 166.8(3) . . ?
C52 Fe4 C47 110.0(3) . . ?
C48 Fe4 C47 129.5(3) . . ?
C45 Fe4 C47 68.3(3) . . ?
C43 Fe4 C47 41.1(2) . . ?
C50 Fe4 C47 151.7(3) . . ?
C51 Fe4 C47 119.5(3) . . ?
C46 Fe4 C47 40.6(2) . . ?
C62 Fe5 C57 150.5(3) . . ?
C62 Fe5 C58 40.8(3) . . ?
C57 Fe5 C58 168.0(3) . . ?
C62 Fe5 C53 115.5(3) . . ?
C57 Fe5 C53 40.8(2) . . ?
C58 Fe5 C53 150.0(3) . . ?
C62 Fe5 C61 40.9(3) . . ?
C57 Fe5 C61 117.9(3) . . ?
C58 Fe5 C61 68.6(3) . . ?
C53 Fe5 C61 105.7(3) . . ?
C62 Fe5 C59 68.7(3) . . ?
C57 Fe5 C59 129.8(3) . . ?
C58 Fe5 C59 40.9(3) . . ?
C53 Fe5 C59 166.3(3) . . ?
C61 Fe5 C59 68.4(3) . . ?
C62 Fe5 C54 105.8(3) . . ?
C57 Fe5 C54 68.3(3) . . ?
C58 Fe5 C54 117.2(3) . . ?
C53 Fe5 C54 41.0(2) . . ?
C61 Fe5 C54 126.0(3) . . ?
C59 Fe5 C54 152.3(3) . . ?
C62 Fe5 C56 166.1(3) . . ?
C57 Fe5 C56 40.7(3) . . ?
C58 Fe5 C56 129.4(3) . . ?
C53 Fe5 C56 69.0(2) . . ?
C61 Fe5 C56 152.7(3) . . ?
C59 Fe5 C56 110.2(3) . . ?
C54 Fe5 C56 68.4(3) . . ?
C62 Fe5 C60 68.5(3) . . ?
C57 Fe5 C60 109.5(3) . . ?
C58 Fe5 C60 68.1(3) . . ?
C53 Fe5 C60 127.7(3) . . ?
C61 Fe5 C60 40.9(3) . . ?
C59 Fe5 C60 40.0(3) . . ?
C54 Fe5 C60 165.2(3) . . ?
C56 Fe5 C60 120.1(3) . . ?
C62 Fe5 C55 127.1(3) . . ?
C57 Fe5 C55 68.0(3) . . ?
C58 Fe5 C55 108.6(3) . . ?
C53 Fe5 C55 68.6(3) . . ?
C61 Fe5 C55 164.3(3) . . ?
C59 Fe5 C55 120.3(3) . . ?
C54 Fe5 C55 40.3(2) . . ?
C56 Fe5 C55 40.6(3) . . ?
C60 Fe5 C55 153.8(3) . . ?
C65 Fe6 C70 125.6(3) . . ?
C65 Fe6 C64 40.7(2) . . ?
C70 Fe6 C64 161.5(3) . . ?
C65 Fe6 C68 120.7(3) . . ?
C70 Fe6 C68 68.0(3) . . ?
C64 Fe6 C68 106.5(3) . . ?
C65 Fe6 C63 68.9(2) . . ?
C70 Fe6 C63 156.4(3) . . ?
C64 Fe6 C63 41.4(3) . . ?
C68 Fe6 C63 123.6(2) . . ?
C65 Fe6 C72 155.5(3) . . ?
C70 Fe6 C72 67.5(2) . . ?
C64 Fe6 C72 120.4(3) . . ?
C68 Fe6 C72 40.0(3) . . ?
C63 Fe6 C72 107.1(2) . . ?
C65 Fe6 C71 162.1(3) . . ?
C70 Fe6 C71 40.0(3) . . ?
C64 Fe6 C71 156.2(3) . . ?
C68 Fe6 C71 68.2(3) . . ?
C63 Fe6 C71 120.9(3) . . ?
C72 Fe6 C71 40.7(3) . . ?
C65 Fe6 C66 40.9(3) . . ?
C70 Fe6 C66 108.8(3) . . ?
C64 Fe6 C66 68.8(3) . . ?
C68 Fe6 C66 156.7(3) . . ?
C63 Fe6 C66 68.8(2) . . ?
C72 Fe6 C66 162.1(3) . . ?
C71 Fe6 C66 125.2(3) . . ?
C65 Fe6 C69 107.7(3) . . ?
C70 Fe6 C69 40.4(3) . . ?
C64 Fe6 C69 124.0(3) . . ?
C68 Fe6 C69 40.7(2) . . ?
C63 Fe6 C69 161.0(3) . . ?
C72 Fe6 C69 67.7(3) . . ?
C71 Fe6 C69 68.0(3) . . ?
C66 Fe6 C69 121.7(2) . . ?
C65 Fe6 C67 68.7(3) . . ?
C70 Fe6 C67 121.7(3) . . ?
C64 Fe6 C67 69.2(3) . . ?
C68 Fe6 C67 161.2(2) . . ?
C63 Fe6 C67 41.2(2) . . ?
C72 Fe6 C67 125.2(3) . . ?
C71 Fe6 C67 107.9(3) . . ?
C66 Fe6 C67 40.5(2) . . ?
C69 Fe6 C67 156.7(2) . . ?
Cu1 Cl1 Cu3 77.50(6) . . ?
Cu1 Cl1 Cu2 80.12(6) . . ?
Cu3 Cl1 Cu2 85.14(6) . . ?
Cu1 Cl2 Cu2 81.18(6) . . ?
Cu1 Cl2 Cu4 83.20(5) . . ?
Cu2 Cl2 Cu4 78.95(5) . . ?
Cu4 Cl3 Cu1 85.16(5) . . ?
Cu4 Cl3 Cu3 82.14(6) . . ?
Cu1 Cl3 Cu3 72.23(5) . . ?
Cu3 Cl4 Cu4 85.90(6) . . ?
Cu3 Cl4 Cu2 85.93(6) . . ?
Cu4 Cl4 Cu2 81.07(5) . . ?
Cu6 Cl5 Cu5 85.48(6) . . ?
Cu5 Cl6 Cu6 88.87(6) 2_554 . ?
Cu5 Cl6 Cu5 81.78(5) 2_554 . ?
Cu6 Cl6 Cu5 78.05(5) . . ?
C1 P1 Cu1 114.7(2) . . ?
C1 P1 H10C 108.6 . . ?
Cu1 P1 H10C 108.6 . . ?
C1 P1 H10D 108.6 . . ?
Cu1 P1 H10D 108.6 . . ?
H10C P1 H10D 107.6 . . ?
C3 P2 Cu2 117.2(2) . . ?
C3 P2 H10E 108.0 . . ?
Cu2 P2 H10E 108.0 . . ?
C3 P2 H10F 108.0 . . ?
Cu2 P2 H10F 108.0 . . ?
H10E P2 H10F 107.2 . . ?
C5 P3 Cu3 115.8(2) . . ?
C5 P3 H10G 108.3 . . ?
Cu3 P3 H10G 108.3 . . ?
C5 P3 H10H 108.3 . . ?
Cu3 P3 H10H 108.3 . . ?
H10G P3 H10H 107.4 . . ?
C7 P4 Cu4 122.0(2) . . ?
C7 P4 H10I 106.8 . . ?
Cu4 P4 H10I 106.8 . . ?
C7 P4 H10J 106.8 . . ?
Cu4 P4 H10J 106.8 . . ?
H10I P4 H10J 106.7 . . ?
C9 P5 Cu5 116.0(2) . . ?
C9 P5 H10K 108.3 . . ?
Cu5 P5 H10K 108.3 . . ?
C9 P5 H10L 108.3 . . ?
Cu5 P5 H10L 108.3 . . ?
H10K P5 H10L 107.4 . . ?
C11 P6 Cu6 122.7(2) . . ?
C11 P6 H10M 106.7 . . ?
Cu6 P6 H10M 106.7 . . ?
C11 P6 H10N 106.7 . . ?
Cu6 P6 H10N 106.7 . . ?
H10M P6 H10N 106.6 . . ?
C2 C1 P1 111.5(4) . . ?
C2 C1 H1A 109.3 . . ?
P1 C1 H1A 109.3 . . ?
C2 C1 H1B 109.3 . . ?
P1 C1 H1B 109.3 . . ?
H1A C1 H1B 108.0 . . ?
C13 C2 C1 113.2(5) . . ?
C13 C2 H2A 108.9 . . ?
C1 C2 H2A 108.9 . . ?
C13 C2 H2B 108.9 . . ?
C1 C2 H2B 108.9 . . ?
H2A C2 H2B 107.8 . . ?
C4 C3 P2 111.2(4) . . ?
C4 C3 H3A 109.4 . . ?
P2 C3 H3A 109.4 . . ?
C4 C3 H3B 109.4 . . ?
P2 C3 H3B 109.4 . . ?
H3A C3 H3B 108.0 . . ?
C23 C4 C3 113.3(5) . . ?
C23 C4 H4A 108.9 . . ?
C3 C4 H4A 108.9 . . ?
C23 C4 H4B 108.9 . . ?
C3 C4 H4B 108.9 . . ?
H4A C4 H4B 107.7 . . ?
C6 C5 P3 114.9(4) . . ?
C6 C5 H5A 108.6 . . ?
P3 C5 H5A 108.6 . . ?
C6 C5 H5B 108.6 . . ?
P3 C5 H5B 108.6 . . ?
H5A C5 H5B 107.5 . . ?
C33 C6 C5 111.5(5) . . ?
C33 C6 H6A 109.3 . . ?
C5 C6 H6A 109.3 . . ?
C33 C6 H6B 109.3 . . ?
C5 C6 H6B 109.3 . . ?
H6A C6 H6B 108.0 . . ?
C8 C7 P4 114.2(4) . . ?
C8 C7 H7A 108.7 . . ?
P4 C7 H7A 108.7 . . ?
C8 C7 H7B 108.7 . . ?
P4 C7 H7B 108.7 . . ?
H7A C7 H7B 107.6 . . ?
C43 C8 C7 113.2(5) . . ?
C43 C8 H8A 108.9 . . ?
C7 C8 H8A 108.9 . . ?
C43 C8 H8B 108.9 . . ?
C7 C8 H8B 108.9 . . ?
H8A C8 H8B 107.7 . . ?
C10 C9 P5 114.3(5) . . ?
C10 C9 H9A 108.7 . . ?
P5 C9 H9A 108.7 . . ?
C10 C9 H9B 108.7 . . ?
P5 C9 H9B 108.7 . . ?
H9A C9 H9B 107.6 . . ?
C53 C10 C9 111.9(5) . . ?
C53 C10 H10A 109.2 . . ?
C9 C10 H10A 109.2 . . ?
C53 C10 H10B 109.2 . . ?
C9 C10 H10B 109.2 . . ?
H10A C10 H10B 107.9 . . ?
C12 C11 P6 112.7(4) . . ?
C12 C11 H11A 109.1 . . ?
P6 C11 H11A 109.1 . . ?
C12 C11 H11B 109.1 . . ?
P6 C11 H11B 109.1 . . ?
H11A C11 H11B 107.8 . . ?
C63 C12 C11 114.6(5) . . ?
C63 C12 H12A 108.6 . . ?
C11 C12 H12A 108.6 . . ?
C63 C12 H12B 108.6 . . ?
C11 C12 H12B 108.6 . . ?
H12A C12 H12B 107.6 . . ?
C14 C13 C17 107.3(6) . . ?
C14 C13 C2 125.8(6) . . ?
C17 C13 C2 126.9(6) . . ?
C14 C13 Fe1 69.6(4) . . ?
C17 C13 Fe1 69.4(4) . . ?
C2 C13 Fe1 127.4(4) . . ?
C15 C14 C13 108.6(6) . . ?
C15 C14 Fe1 69.6(3) . . ?
C13 C14 Fe1 69.6(3) . . ?
C15 C14 H14A 125.7 . . ?
C13 C14 H14A 125.7 . . ?
Fe1 C14 H14A 125.7 . . ?
C14 C15 C16 108.2(6) . . ?
C14 C15 Fe1 70.0(4) . . ?
C16 C15 Fe1 69.8(4) . . ?
C14 C15 H15A 125.9 . . ?
C16 C15 H15A 125.9 . . ?
Fe1 C15 H15A 125.9 . . ?
C17 C16 C15 107.7(6) . . ?
C17 C16 Fe1 69.5(4) . . ?
C15 C16 Fe1 69.3(4) . . ?
C17 C16 H16A 126.1 . . ?
C15 C16 H16A 126.1 . . ?
Fe1 C16 H16A 126.1 . . ?
C16 C17 C13 108.1(6) . . ?
C16 C17 Fe1 69.8(4) . . ?
C13 C17 Fe1 69.5(4) . . ?
C16 C17 H17A 126.0 . . ?
C13 C17 H17A 126.0 . . ?
Fe1 C17 H17A 126.0 . . ?
C19 C18 C22 107.4(6) . . ?
C19 C18 Fe1 70.5(4) . . ?
C22 C18 Fe1 69.5(4) . . ?
C19 C18 H18A 126.3 . . ?
C22 C18 H18A 126.3 . . ?
Fe1 C18 H18A 126.3 . . ?
C20 C19 C18 108.6(6) . . ?
C20 C19 Fe1 70.3(4) . . ?
C18 C19 Fe1 69.2(4) . . ?
C20 C19 H19A 125.7 . . ?
C18 C19 H19A 125.7 . . ?
Fe1 C19 H19A 125.7 . . ?
C19 C20 C21 107.9(7) . . ?
C19 C20 Fe1 70.0(4) . . ?
C21 C20 Fe1 69.4(4) . . ?
C19 C20 H20A 126.1 . . ?
C21 C20 H20A 126.1 . . ?
Fe1 C20 H20A 126.1 . . ?
C20 C21 C22 108.6(7) . . ?
C20 C21 Fe1 70.7(4) . . ?
C22 C21 Fe1 69.5(4) . . ?
C20 C21 H21A 125.7 . . ?
C22 C21 H21A 125.7 . . ?
Fe1 C21 H21A 125.7 . . ?
C21 C22 C18 107.5(7) . . ?
C21 C22 Fe1 70.1(4) . . ?
C18 C22 Fe1 69.8(4) . . ?
C21 C22 H22A 126.3 . . ?
C18 C22 H22A 126.3 . . ?
Fe1 C22 H22A 126.3 . . ?
C27 C23 C24 107.1(6) . . ?
C27 C23 C4 127.7(5) . . ?
C24 C23 C4 125.2(5) . . ?
C27 C23 Fe2 69.9(4) . . ?
C24 C23 Fe2 69.0(3) . . ?
C4 C23 Fe2 126.3(4) . . ?
C25 C24 C23 108.4(6) . . ?
C25 C24 Fe2 70.3(3) . . ?
C23 C24 Fe2 70.0(3) . . ?
C25 C24 H24A 125.8 . . ?
C23 C24 H24A 125.8 . . ?
Fe2 C24 H24A 125.8 . . ?
C24 C25 C26 107.9(5) . . ?
C24 C25 Fe2 69.2(3) . . ?
C26 C25 Fe2 69.5(3) . . ?
C24 C25 H25A 126.0 . . ?
C26 C25 H25A 126.0 . . ?
Fe2 C25 H25A 126.0 . . ?
C27 C26 C25 108.1(6) . . ?
C27 C26 Fe2 70.1(4) . . ?
C25 C26 Fe2 69.9(4) . . ?
C27 C26 H26A 125.9 . . ?
C25 C26 H26A 125.9 . . ?
Fe2 C26 H26A 125.9 . . ?
C26 C27 C23 108.3(6) . . ?
C26 C27 Fe2 69.3(4) . . ?
C23 C27 Fe2 69.4(4) . . ?
C26 C27 H27A 125.8 . . ?
C23 C27 H27A 125.8 . . ?
Fe2 C27 H27A 125.8 . . ?
C32 C28 C29 109.1(6) . . ?
C32 C28 Fe2 69.7(3) . . ?
C29 C28 Fe2 70.5(3) . . ?
C32 C28 H28A 125.4 . . ?
C29 C28 H28A 125.4 . . ?
Fe2 C28 H28A 125.4 . . ?
C30 C29 C28 106.9(6) . . ?
C30 C29 Fe2 68.8(4) . . ?
C28 C29 Fe2 69.2(4) . . ?
C30 C29 H29A 126.6 . . ?
C28 C29 H29A 126.6 . . ?
Fe2 C29 H29A 126.6 . . ?
C29 C30 C31 109.3(6) . . ?
C29 C30 Fe2 70.9(4) . . ?
C31 C30 Fe2 70.1(4) . . ?
C29 C30 H30A 125.4 . . ?
C31 C30 H30A 125.4 . . ?
Fe2 C30 H30A 125.4 . . ?
C30 C31 C32 107.1(6) . . ?
C30 C31 Fe2 69.1(4) . . ?
C32 C31 Fe2 69.5(3) . . ?
C30 C31 H31A 126.5 . . ?
C32 C31 H31A 126.5 . . ?
Fe2 C31 H31A 126.5 . . ?
C28 C32 C31 107.6(6) . . ?
C28 C32 Fe2 69.8(3) . . ?
C31 C32 Fe2 69.7(3) . . ?
C28 C32 H32A 126.2 . . ?
C31 C32 H32A 126.2 . . ?
Fe2 C32 H32A 126.2 . . ?
C37 C33 C34 106.6(5) . . ?
C37 C33 C6 126.6(6) . . ?
C34 C33 C6 126.6(5) . . ?
C37 C33 Fe3 69.3(3) . . ?
C34 C33 Fe3 69.2(3) . . ?
C6 C33 Fe3 129.8(4) . . ?
C35 C34 C33 109.0(5) . . ?
C35 C34 Fe3 69.5(3) . . ?
C33 C34 Fe3 69.9(3) . . ?
C35 C34 H34A 125.5 . . ?
C33 C34 H34A 125.5 . . ?
Fe3 C34 H34A 125.5 . . ?
C34 C35 C36 107.8(6) . . ?
C34 C35 Fe3 70.2(4) . . ?
C36 C35 Fe3 69.6(4) . . ?
C34 C35 H35A 126.1 . . ?
C36 C35 H35A 126.1 . . ?
Fe3 C35 H35A 126.1 . . ?
C37 C36 C35 107.6(6) . . ?
C37 C36 Fe3 69.8(4) . . ?
C35 C36 Fe3 69.4(4) . . ?
C37 C36 H36A 126.2 . . ?
C35 C36 H36A 126.2 . . ?
Fe3 C36 H36A 126.2 . . ?
C36 C37 C33 109.0(6) . . ?
C36 C37 Fe3 69.5(4) . . ?
C33 C37 Fe3 70.2(3) . . ?
C36 C37 H37A 125.5 . . ?
C33 C37 H37A 125.5 . . ?
Fe3 C37 H37A 125.5 . . ?
C39 C38 C42 107.2(6) . . ?
C39 C38 Fe3 69.2(4) . . ?
C42 C38 Fe3 69.9(4) . . ?
C39 C38 H38A 126.4 . . ?
C42 C38 H38A 126.4 . . ?
Fe3 C38 H38A 126.4 . . ?
C38 C39 C40 108.7(7) . . ?
C38 C39 Fe3 70.3(4) . . ?
C40 C39 Fe3 70.0(4) . . ?
C38 C39 H39A 125.7 . . ?
C40 C39 H39A 125.7 . . ?
Fe3 C39 H39A 125.7 . . ?
C41 C40 C39 107.7(6) . . ?
C41 C40 Fe3 70.0(3) . . ?
C39 C40 Fe3 69.4(4) . . ?
C41 C40 H40A 126.2 . . ?
C39 C40 H40A 126.2 . . ?
Fe3 C40 H40A 126.2 . . ?
C40 C41 C42 108.3(6) . . ?
C40 C41 Fe3 69.8(4) . . ?
C42 C41 Fe3 70.1(3) . . ?
C40 C41 H41A 125.9 . . ?
C42 C41 H41A 125.9 . . ?
Fe3 C41 H41A 125.9 . . ?
C41 C42 C38 108.2(6) . . ?
C41 C42 Fe3 69.6(4) . . ?
C38 C42 Fe3 69.6(4) . . ?
C41 C42 H42A 125.9 . . ?
C38 C42 H42A 125.9 . . ?
Fe3 C42 H42A 125.9 . . ?
C44 C43 C47 106.4(6) . . ?
C44 C43 C8 125.8(6) . . ?
C47 C43 C8 127.7(6) . . ?
C44 C43 Fe4 68.7(4) . . ?
C47 C43 Fe4 70.0(4) . . ?
C8 C43 Fe4 125.9(5) . . ?
C43 C44 C45 108.9(6) . . ?
C43 C44 Fe4 70.1(4) . . ?
C45 C44 Fe4 70.1(4) . . ?
C43 C44 H44A 125.5 . . ?
C45 C44 H44A 125.5 . . ?
Fe4 C44 H44A 125.5 . . ?
C46 C45 C44 107.8(6) . . ?
C46 C45 Fe4 70.2(4) . . ?
C44 C45 Fe4 68.7(4) . . ?
C46 C45 H45A 126.1 . . ?
C44 C45 H45A 126.1 . . ?
Fe4 C45 H45A 126.1 . . ?
C45 C46 C47 108.0(6) . . ?
C45 C46 Fe4 69.3(4) . . ?
C47 C46 Fe4 69.9(4) . . ?
C45 C46 H46A 126.0 . . ?
C47 C46 H46A 126.0 . . ?
Fe4 C46 H46A 126.0 . . ?
C46 C47 C43 108.8(6) . . ?
C46 C47 Fe4 69.6(4) . . ?
C43 C47 Fe4 68.9(4) . . ?
C46 C47 H47A 125.6 . . ?
C43 C47 H47A 125.6 . . ?
Fe4 C47 H47A 125.6 . . ?
C52 C48 C49 107.6(6) . . ?
C52 C48 Fe4 69.7(4) . . ?
C49 C48 Fe4 69.6(4) . . ?
C52 C48 H48A 126.2 . . ?
C49 C48 H48A 126.2 . . ?
Fe4 C48 H48A 126.2 . . ?
C48 C49 C50 107.8(7) . . ?
C48 C49 Fe4 69.8(4) . . ?
C50 C49 Fe4 69.9(4) . . ?
C48 C49 H49A 126.1 . . ?
C50 C49 H49A 126.1 . . ?
Fe4 C49 H49A 126.1 . . ?
C51 C50 C49 107.8(6) . . ?
C51 C50 Fe4 70.1(4) . . ?
C49 C50 Fe4 69.2(4) . . ?
C51 C50 H50A 126.1 . . ?
C49 C50 H50A 126.1 . . ?
Fe4 C50 H50A 126.1 . . ?
C50 C51 C52 108.3(7) . . ?
C50 C51 Fe4 69.8(4) . . ?
C52 C51 Fe4 69.5(4) . . ?
C50 C51 H51A 125.9 . . ?
C52 C51 H51A 125.9 . . ?
Fe4 C51 H51A 125.9 . . ?
C51 C52 C48 108.5(7) . . ?
C51 C52 Fe4 70.3(4) . . ?
C48 C52 Fe4 69.8(4) . . ?
C51 C52 H52A 125.8 . . ?
C48 C52 H52A 125.8 . . ?
Fe4 C52 H52A 125.8 . . ?
C57 C53 C54 106.7(5) . . ?
C57 C53 C10 126.8(6) . . ?
C54 C53 C10 126.5(5) . . ?
C57 C53 Fe5 69.4(3) . . ?
C54 C53 Fe5 69.7(3) . . ?
C10 C53 Fe5 125.2(5) . . ?
C55 C54 C53 108.5(5) . . ?
C55 C54 Fe5 70.4(3) . . ?
C53 C54 Fe5 69.3(3) . . ?
C55 C54 H54A 125.7 . . ?
C53 C54 H54A 125.7 . . ?
Fe5 C54 H54A 125.7 . . ?
C54 C55 C56 108.3(6) . . ?
C54 C55 Fe5 69.3(4) . . ?
C56 C55 Fe5 69.4(4) . . ?
C54 C55 H55A 125.8 . . ?
C56 C55 H55A 125.8 . . ?
Fe5 C55 H55A 125.8 . . ?
C57 C56 C55 107.2(5) . . ?
C57 C56 Fe5 69.1(4) . . ?
C55 C56 Fe5 70.0(4) . . ?
C57 C56 H56A 126.4 . . ?
C55 C56 H56A 126.4 . . ?
Fe5 C56 H56A 126.4 . . ?
C56 C57 C53 109.3(6) . . ?
C56 C57 Fe5 70.2(4) . . ?
C53 C57 Fe5 69.7(4) . . ?
C56 C57 H57A 125.4 . . ?
C53 C57 H57A 125.4 . . ?
Fe5 C57 H57A 125.4 . . ?
C62 C58 C59 107.9(7) . . ?
C62 C58 Fe5 69.4(4) . . ?
C59 C58 Fe5 69.8(4) . . ?
C62 C58 H58A 126.1 . . ?
C59 C58 H58A 126.1 . . ?
Fe5 C58 H58A 126.1 . . ?
C60 C59 C58 108.3(6) . . ?
C60 C59 Fe5 70.6(4) . . ?
C58 C59 Fe5 69.2(4) . . ?
C60 C59 H59A 125.8 . . ?
C58 C59 H59A 125.8 . . ?
Fe5 C59 H59A 125.8 . . ?
C59 C60 C61 108.1(6) . . ?
C59 C60 Fe5 69.4(4) . . ?
C61 C60 Fe5 68.9(4) . . ?
C59 C60 H60A 125.9 . . ?
C61 C60 H60A 125.9 . . ?
Fe5 C60 H60A 125.9 . . ?
C62 C61 C60 107.5(6) . . ?
C62 C61 Fe5 69.2(4) . . ?
C60 C61 Fe5 70.2(4) . . ?
C62 C61 H61A 126.2 . . ?
C60 C61 H61A 126.2 . . ?
Fe5 C61 H61A 126.2 . . ?
C58 C62 C61 108.1(6) . . ?
C58 C62 Fe5 69.8(4) . . ?
C61 C62 Fe5 70.0(4) . . ?
C58 C62 H62A 125.9 . . ?
C61 C62 H62A 125.9 . . ?
Fe5 C62 H62A 125.9 . . ?
C64 C63 C67 107.6(5) . . ?
C64 C63 C12 125.1(5) . . ?
C67 C63 C12 127.2(6) . . ?
C64 C63 Fe6 69.2(3) . . ?
C67 C63 Fe6 70.0(4) . . ?
C12 C63 Fe6 128.1(5) . . ?
C65 C64 C63 107.6(6) . . ?
C65 C64 Fe6 69.4(4) . . ?
C63 C64 Fe6 69.4(4) . . ?
C65 C64 H64A 126.2 . . ?
C63 C64 H64A 126.2 . . ?
Fe6 C64 H64A 126.2 . . ?
C64 C65 C66 108.8(6) . . ?
C64 C65 Fe6 70.0(4) . . ?
C66 C65 Fe6 70.3(4) . . ?
C64 C65 H65A 125.6 . . ?
C66 C65 H65A 125.6 . . ?
Fe6 C65 H65A 125.6 . . ?
C67 C66 C65 108.2(6) . . ?
C67 C66 Fe6 70.0(4) . . ?
C65 C66 Fe6 68.8(4) . . ?
C67 C66 H66A 125.9 . . ?
C65 C66 H66A 125.9 . . ?
Fe6 C66 H66A 125.9 . . ?
C66 C67 C63 107.7(6) . . ?
C66 C67 Fe6 69.4(4) . . ?
C63 C67 Fe6 68.8(4) . . ?
C66 C67 H67A 126.1 . . ?
C63 C67 H67A 126.1 . . ?
Fe6 C67 H67A 126.1 . . ?
C72 C68 C69 107.8(6) . . ?
C72 C68 Fe6 70.0(4) . . ?
C69 C68 Fe6 70.0(4) . . ?
C72 C68 H68A 126.1 . . ?
C69 C68 H68A 126.1 . . ?
Fe6 C68 H68A 126.1 . . ?
C70 C69 C68 107.2(6) . . ?
C70 C69 Fe6 69.3(4) . . ?
C68 C69 Fe6 69.3(4) . . ?
C70 C69 H69A 126.4 . . ?
C68 C69 H69A 126.4 . . ?
Fe6 C69 H69A 126.4 . . ?
C71 C70 C69 109.1(5) . . ?
C71 C70 Fe6 70.2(4) . . ?
C69 C70 Fe6 70.2(4) . . ?
C71 C70 H70A 125.4 . . ?
C69 C70 H70A 125.4 . . ?
Fe6 C70 H70A 125.4 . . ?
C70 C71 C72 107.2(6) . . ?
C70 C71 Fe6 69.8(4) . . ?
C72 C71 Fe6 69.6(4) . . ?
C70 C71 H71A 126.4 . . ?
C72 C71 H71A 126.4 . . ?
Fe6 C71 H71A 126.4 . . ?
C68 C72 C71 108.8(5) . . ?
C68 C72 Fe6 70.0(4) . . ?
C71 C72 Fe6 69.7(4) . . ?
C68 C72 H72A 125.6 . . ?
C71 C72 H72A 125.6 . . ?
Fe6 C72 H72A 125.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cu1 P1 C1 C2 71.9(5) . . . . ?
P1 C1 C2 C13 -171.1(4) . . . . ?
Cu2 P2 C3 C4 -57.6(5) . . . . ?
P2 C3 C4 C23 -168.7(4) . . . . ?
Cu3 P3 C5 C6 -177.7(4) . . . . ?
P3 C5 C6 C33 -178.9(4) . . . . ?
Cu4 P4 C7 C8 -152.7(4) . . . . ?
P4 C7 C8 C43 -153.7(5) . . . . ?
Cu5 P5 C9 C10 -176.7(4) . . . . ?
P5 C9 C10 C53 179.7(4) . . . . ?
Cu6 P6 C11 C12 -157.5(4) . . . . ?
P6 C11 C12 C63 -177.3(5) . . . . ?
C1 C2 C13 C14 166.0(6) . . . . ?
C1 C2 C13 C17 -15.7(9) . . . . ?
C1 C2 C13 Fe1 75.5(7) . . . . ?
C17 C13 C14 C15 0.6(7) . . . . ?
C2 C13 C14 C15 179.1(5) . . . . ?
Fe1 C13 C14 C15 -58.8(4) . . . . ?
C17 C13 C14 Fe1 59.4(4) . . . . ?
C2 C13 C14 Fe1 -122.1(6) . . . . ?
C13 C14 C15 C16 -0.8(7) . . . . ?
Fe1 C14 C15 C16 -59.6(4) . . . . ?
C13 C14 C15 Fe1 58.8(4) . . . . ?
C14 C15 C16 C17 0.7(7) . . . . ?
Fe1 C15 C16 C17 -59.0(4) . . . . ?
C14 C15 C16 Fe1 59.7(4) . . . . ?
C15 C16 C17 C13 -0.3(7) . . . . ?
Fe1 C16 C17 C13 -59.2(4) . . . . ?
C15 C16 C17 Fe1 58.9(4) . . . . ?
C14 C13 C17 C16 -0.2(7) . . . . ?
C2 C13 C17 C16 -178.7(5) . . . . ?
Fe1 C13 C17 C16 59.3(4) . . . . ?
C14 C13 C17 Fe1 -59.5(4) . . . . ?
C2 C13 C17 Fe1 122.0(6) . . . . ?
C22 C18 C19 C20 -0.6(7) . . . . ?
Fe1 C18 C19 C20 59.4(4) . . . . ?
C22 C18 C19 Fe1 -60.0(4) . . . . ?
C18 C19 C20 C21 0.6(7) . . . . ?
Fe1 C19 C20 C21 59.4(4) . . . . ?
C18 C19 C20 Fe1 -58.8(4) . . . . ?
C19 C20 C21 C22 -0.4(7) . . . . ?
Fe1 C20 C21 C22 59.3(5) . . . . ?
C19 C20 C21 Fe1 -59.7(4) . . . . ?
C20 C21 C22 C18 0.0(7) . . . . ?
Fe1 C21 C22 C18 60.1(4) . . . . ?
C20 C21 C22 Fe1 -60.1(5) . . . . ?
C19 C18 C22 C21 0.3(7) . . . . ?
Fe1 C18 C22 C21 -60.3(5) . . . . ?
C19 C18 C22 Fe1 60.6(4) . . . . ?
C3 C4 C23 C27 -26.2(9) . . . . ?
C3 C4 C23 C24 153.9(6) . . . . ?
C3 C4 C23 Fe2 65.4(7) . . . . ?
C27 C23 C24 C25 -0.2(7) . . . . ?
C4 C23 C24 C25 179.7(5) . . . . ?
Fe2 C23 C24 C25 -60.0(4) . . . . ?
C27 C23 C24 Fe2 59.8(4) . . . . ?
C4 C23 C24 Fe2 -120.3(6) . . . . ?
C23 C24 C25 C26 0.9(7) . . . . ?
Fe2 C24 C25 C26 -58.8(4) . . . . ?
C23 C24 C25 Fe2 59.8(4) . . . . ?
C24 C25 C26 C27 -1.3(7) . . . . ?
Fe2 C25 C26 C27 -60.0(4) . . . . ?
C24 C25 C26 Fe2 58.7(4) . . . . ?
C25 C26 C27 C23 1.2(7) . . . . ?
Fe2 C26 C27 C23 -58.6(4) . . . . ?
C25 C26 C27 Fe2 59.8(4) . . . . ?
C24 C23 C27 C26 -0.6(7) . . . . ?
C4 C23 C27 C26 179.5(5) . . . . ?
Fe2 C23 C27 C26 58.6(4) . . . . ?
C24 C23 C27 Fe2 -59.2(4) . . . . ?
C4 C23 C27 Fe2 120.9(6) . . . . ?
C32 C28 C29 C30 -0.5(7) . . . . ?
Fe2 C28 C29 C30 58.6(4) . . . . ?
C32 C28 C29 Fe2 -59.2(4) . . . . ?
C28 C29 C30 C31 1.0(7) . . . . ?
Fe2 C29 C30 C31 59.8(4) . . . . ?
C28 C29 C30 Fe2 -58.9(4) . . . . ?
C29 C30 C31 C32 -1.0(7) . . . . ?
Fe2 C30 C31 C32 59.3(4) . . . . ?
C29 C30 C31 Fe2 -60.3(4) . . . . ?
C29 C28 C32 C31 -0.1(7) . . . . ?
Fe2 C28 C32 C31 -59.7(4) . . . . ?
C29 C28 C32 Fe2 59.6(4) . . . . ?
C30 C31 C32 C28 0.6(7) . . . . ?
Fe2 C31 C32 C28 59.7(4) . . . . ?
C30 C31 C32 Fe2 -59.1(4) . . . . ?
C5 C6 C33 C37 -88.4(7) . . . . ?
C5 C6 C33 C34 86.6(7) . . . . ?
C5 C6 C33 Fe3 179.0(4) . . . . ?
C37 C33 C34 C35 -0.8(7) . . . . ?
C6 C33 C34 C35 -176.6(6) . . . . ?
Fe3 C33 C34 C35 58.6(4) . . . . ?
C37 C33 C34 Fe3 -59.4(4) . . . . ?
C6 C33 C34 Fe3 124.7(6) . . . . ?
C33 C34 C35 C36 0.8(7) . . . . ?
Fe3 C34 C35 C36 59.7(4) . . . . ?
C33 C34 C35 Fe3 -58.9(4) . . . . ?
C34 C35 C36 C37 -0.5(7) . . . . ?
Fe3 C35 C36 C37 59.6(4) . . . . ?
C34 C35 C36 Fe3 -60.1(4) . . . . ?
C35 C36 C37 C33 0.0(7) . . . . ?
Fe3 C36 C37 C33 59.3(4) . . . . ?
C35 C36 C37 Fe3 -59.3(4) . . . . ?
C34 C33 C37 C36 0.4(6) . . . . ?
C6 C33 C37 C36 176.3(5) . . . . ?
Fe3 C33 C37 C36 -58.9(4) . . . . ?
C34 C33 C37 Fe3 59.3(4) . . . . ?
C6 C33 C37 Fe3 -124.8(6) . . . . ?
C42 C38 C39 C40 0.1(7) . . . . ?
Fe3 C38 C39 C40 -59.8(5) . . . . ?
C42 C38 C39 Fe3 59.9(4) . . . . ?
C38 C39 C40 C41 0.1(8) . . . . ?
Fe3 C39 C40 C41 -59.8(5) . . . . ?
C38 C39 C40 Fe3 59.9(5) . . . . ?
C39 C40 C41 C42 -0.3(7) . . . . ?
Fe3 C40 C41 C42 -59.7(4) . . . . ?
C39 C40 C41 Fe3 59.4(5) . . . . ?
C40 C41 C42 C38 0.4(7) . . . . ?
Fe3 C41 C42 C38 -59.1(4) . . . . ?
C40 C41 C42 Fe3 59.5(4) . . . . ?
C39 C38 C42 C41 -0.3(7) . . . . ?
Fe3 C38 C42 C41 59.1(4) . . . . ?
C39 C38 C42 Fe3 -59.4(5) . . . . ?
C7 C8 C43 C44 159.3(6) . . . . ?
C7 C8 C43 C47 -20.6(10) . . . . ?
C7 C8 C43 Fe4 71.0(7) . . . . ?
C47 C43 C44 C45 0.7(7) . . . . ?
C8 C43 C44 C45 -179.3(6) . . . . ?
Fe4 C43 C44 C45 -59.5(4) . . . . ?
C47 C43 C44 Fe4 60.2(4) . . . . ?
C8 C43 C44 Fe4 -119.7(7) . . . . ?
C43 C44 C45 C46 0.1(7) . . . . ?
Fe4 C44 C45 C46 -59.5(5) . . . . ?
C43 C44 C45 Fe4 59.6(4) . . . . ?
C44 C45 C46 C47 -0.8(7) . . . . ?
Fe4 C45 C46 C47 -59.3(5) . . . . ?
C44 C45 C46 Fe4 58.6(4) . . . . ?
C45 C46 C47 C43 1.2(7) . . . . ?
Fe4 C46 C47 C43 -57.8(5) . . . . ?
C45 C46 C47 Fe4 59.0(4) . . . . ?
C44 C43 C47 C46 -1.1(7) . . . . ?
C8 C43 C47 C46 178.8(6) . . . . ?
Fe4 C43 C47 C46 58.2(5) . . . . ?
C44 C43 C47 Fe4 -59.3(4) . . . . ?
C8 C43 C47 Fe4 120.6(7) . . . . ?
C52 C48 C49 C50 0.3(8) . . . . ?
Fe4 C48 C49 C50 59.8(5) . . . . ?
C52 C48 C49 Fe4 -59.5(5) . . . . ?
C48 C49 C50 C51 -0.1(8) . . . . ?
Fe4 C49 C50 C51 59.7(5) . . . . ?
C48 C49 C50 Fe4 -59.8(5) . . . . ?
C49 C50 C51 C52 -0.1(8) . . . . ?
Fe4 C50 C51 C52 59.0(5) . . . . ?
C49 C50 C51 Fe4 -59.2(5) . . . . ?
C50 C51 C52 C48 0.3(8) . . . . ?
Fe4 C51 C52 C48 59.6(5) . . . . ?
C50 C51 C52 Fe4 -59.2(5) . . . . ?
C49 C48 C52 C51 -0.4(8) . . . . ?
Fe4 C48 C52 C51 -59.9(5) . . . . ?
C49 C48 C52 Fe4 59.5(5) . . . . ?
C9 C10 C53 C57 -102.3(7) . . . . ?
C9 C10 C53 C54 78.7(8) . . . . ?
C9 C10 C53 Fe5 168.3(4) . . . . ?
C57 C53 C54 C55 -0.2(7) . . . . ?
C10 C53 C54 C55 179.0(6) . . . . ?
Fe5 C53 C54 C55 59.6(4) . . . . ?
C57 C53 C54 Fe5 -59.8(4) . . . . ?
C10 C53 C54 Fe5 119.4(6) . . . . ?
C53 C54 C55 C56 -0.4(7) . . . . ?
Fe5 C54 C55 C56 58.5(5) . . . . ?
C53 C54 C55 Fe5 -59.0(4) . . . . ?
C54 C55 C56 C57 0.9(7) . . . . ?
Fe5 C55 C56 C57 59.4(5) . . . . ?
C54 C55 C56 Fe5 -58.5(5) . . . . ?
C55 C56 C57 C53 -1.0(7) . . . . ?
Fe5 C56 C57 C53 59.0(4) . . . . ?
C55 C56 C57 Fe5 -60.0(4) . . . . ?
C54 C53 C57 C56 0.7(7) . . . . ?
C10 C53 C57 C56 -178.4(6) . . . . ?
Fe5 C53 C57 C56 -59.3(5) . . . . ?
C54 C53 C57 Fe5 60.0(4) . . . . ?
C10 C53 C57 Fe5 -119.2(6) . . . . ?
C62 C58 C59 C60 -0.8(8) . . . . ?
Fe5 C58 C59 C60 -60.0(5) . . . . ?
C62 C58 C59 Fe5 59.2(5) . . . . ?
C58 C59 C60 C61 1.0(8) . . . . ?
Fe5 C59 C60 C61 -58.1(5) . . . . ?
C58 C59 C60 Fe5 59.1(5) . . . . ?
C59 C60 C61 C62 -0.9(8) . . . . ?
Fe5 C60 C61 C62 -59.3(5) . . . . ?
C59 C60 C61 Fe5 58.5(5) . . . . ?
C59 C58 C62 C61 0.3(8) . . . . ?
Fe5 C58 C62 C61 59.7(5) . . . . ?
C59 C58 C62 Fe5 -59.5(5) . . . . ?
C60 C61 C62 C58 0.4(8) . . . . ?
Fe5 C61 C62 C58 -59.6(5) . . . . ?
C60 C61 C62 Fe5 60.0(5) . . . . ?
C11 C12 C63 C64 155.7(6) . . . . ?
C11 C12 C63 C67 -27.1(10) . . . . ?
C11 C12 C63 Fe6 65.7(8) . . . . ?
C67 C63 C64 C65 0.7(7) . . . . ?
C12 C63 C64 C65 178.3(6) . . . . ?
Fe6 C63 C64 C65 -59.0(4) . . . . ?
C67 C63 C64 Fe6 59.7(4) . . . . ?
C12 C63 C64 Fe6 -122.7(6) . . . . ?
C63 C64 C65 C66 -0.6(7) . . . . ?
Fe6 C64 C65 C66 -59.7(5) . . . . ?
C63 C64 C65 Fe6 59.1(4) . . . . ?
C64 C65 C66 C67 0.3(7) . . . . ?
Fe6 C65 C66 C67 -59.2(5) . . . . ?
C64 C65 C66 Fe6 59.5(4) . . . . ?
C65 C66 C67 C63 0.1(7) . . . . ?
Fe6 C66 C67 C63 -58.3(4) . . . . ?
C65 C66 C67 Fe6 58.4(4) . . . . ?
C64 C63 C67 C66 -0.5(7) . . . . ?
C12 C63 C67 C66 -178.0(6) . . . . ?
Fe6 C63 C67 C66 58.7(5) . . . . ?
C64 C63 C67 Fe6 -59.2(4) . . . . ?
C12 C63 C67 Fe6 123.2(7) . . . . ?
C72 C68 C69 C70 -0.9(7) . . . . ?
Fe6 C68 C69 C70 59.2(4) . . . . ?
C72 C68 C69 Fe6 -60.1(5) . . . . ?
C68 C69 C70 C71 0.4(7) . . . . ?
Fe6 C69 C70 C71 59.6(5) . . . . ?
C68 C69 C70 Fe6 -59.2(4) . . . . ?
C69 C70 C71 C72 0.2(8) . . . . ?
Fe6 C70 C71 C72 59.9(5) . . . . ?
C69 C70 C71 Fe6 -59.7(5) . . . . ?
C69 C68 C72 C71 1.0(7) . . . . ?
Fe6 C68 C72 C71 -59.1(5) . . . . ?
C69 C68 C72 Fe6 60.1(4) . . . . ?
C70 C71 C72 C68 -0.8(8) . . . . ?
Fe6 C71 C72 C68 59.2(5) . . . . ?
C70 C71 C72 Fe6 -60.0(5) . . . . ?

_refine_diff_density_max         0.817
_refine_diff_density_min         -1.117
_refine_diff_density_rms         0.253

_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Bruker Apex2'
_diffrn_measurement_device       'κ-geometry diffractometer'

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_b15174
_database_code_depnum_ccdc_archive 'CCDC 1429839'
_audit_update_record             
;
2015-10-06 deposited with the CCDC.
2016-01-06 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C160 H184 Cu4 Fe12 O10 P4'
_chemical_formula_weight         3315.30
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.340(9)
_cell_length_b                   16.897(8)
_cell_length_c                   17.289(10)
_cell_angle_alpha                66.770(14)
_cell_angle_beta                 80.739(19)
_cell_angle_gamma                82.12(2)
_cell_volume                     3523(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    110
_cell_measurement_reflns_used    9966
_cell_measurement_theta_min      2.69
_cell_measurement_theta_max      32.40
_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_F_000             1712
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.137
_exptl_crystal_size_min          0.062
_exptl_absorpt_coefficient_mu    1.888
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6394
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      110
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            60131
_diffrn_reflns_av_unetI/netI     0.0579
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.316
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             16123
_reflns_number_gt                11925
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       Apex2
_computing_cell_refinement       SAINT
_computing_data_reduction        SAINT
_computing_structure_solution    SHELXT
_computing_structure_refinement  SHELXL-2014
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0799P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         16123
_refine_ls_number_parameters     860
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0646
_refine_ls_R_factor_gt           0.0386
_refine_ls_wR_factor_ref         0.1377
_refine_ls_wR_factor_gt          0.0991
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.47699(3) 0.42370(3) 0.09207(3) 0.01361(10) Uani 1 1 d . . . . .
Cu2 Cu 0.48540(3) 0.25683(3) 0.09323(3) 0.01683(11) Uani 1 1 d . . . . .
Fe1 Fe 0.09870(4) 0.24159(3) 0.49763(3) 0.02136(13) Uani 1 1 d . . . . .
Fe2 Fe 0.23385(4) 0.76182(3) 0.18498(3) 0.01429(12) Uani 1 1 d . . . . .
Fe3 Fe 0.10203(4) 0.42551(3) -0.13647(3) 0.01308(12) Uani 1 1 d . . . . .
Fe4 Fe 0.66961(4) -0.13664(3) 0.15205(3) 0.01292(11) Uani 1 1 d . . . . .
Fe5 Fe 0.62433(4) 0.21182(3) 0.44401(3) 0.02115(13) Uani 1 1 d . . . . .
Fe6 Fe -0.00333(4) 0.07518(3) 0.22873(3) 0.01682(12) Uani 1 1 d . . . . .
P1 P 0.31972(7) 0.41688(5) 0.14557(5) 0.01183(18) Uani 1 1 d . . . . .
P2 P 0.44519(7) 0.13455(6) 0.19153(6) 0.01378(19) Uani 1 1 d . . . . .
O1 O 0.61953(18) 0.38998(16) 0.12054(16) 0.0206(6) Uani 1 1 d . . . . .
O2 O 0.50054(18) 0.43924(14) -0.03881(15) 0.0143(5) Uani 1 1 d . . . . .
O3 O 0.63536(19) 0.26644(16) 0.09927(17) 0.0221(6) Uani 1 1 d . . . . .
O4 O 0.45151(19) 0.31319(15) -0.02494(16) 0.0192(5) Uani 1 1 d . . . . .
C1 C 0.6704(3) 0.3253(2) 0.1120(2) 0.0162(7) Uani 1 1 d . . . . .
C2 C 0.7836(3) 0.3160(2) 0.1190(3) 0.0220(8) Uani 1 1 d . . . . .
H2A H 0.8095 0.3733 0.0960 0.033 Uiso 1 1 calc R U . . .
H2B H 0.8193 0.2818 0.0869 0.033 Uiso 1 1 calc R U . . .
H2C H 0.7951 0.2867 0.1787 0.033 Uiso 1 1 calc R U . . .
C3 C 0.4683(3) 0.3911(2) -0.0686(2) 0.0153(7) Uani 1 1 d . . . . .
C4 C 0.4466(3) 0.4281(2) -0.1597(2) 0.0187(8) Uani 1 1 d . . . . .
H4A H 0.4857 0.3930 -0.1896 0.028 Uiso 1 1 calc R U . . .
H4B H 0.4663 0.4876 -0.1871 0.028 Uiso 1 1 calc R U . . .
H4C H 0.3737 0.4277 -0.1618 0.028 Uiso 1 1 calc R U . . .
C5 C 0.3049(3) 0.3533(2) 0.2598(2) 0.0178(8) Uani 1 1 d . . . . .
H5A H 0.3379 0.2947 0.2687 0.021 Uiso 1 1 calc R U . . .
H5B H 0.3442 0.3793 0.2864 0.021 Uiso 1 1 calc R U . . .
C6 C 0.1987(3) 0.3426(3) 0.3090(2) 0.0239(9) Uani 1 1 d . . . . .
H6A H 0.1702 0.3975 0.3148 0.029 Uiso 1 1 calc R U . . .
H6B H 0.1529 0.3274 0.2781 0.029 Uiso 1 1 calc R U . . .
C7 C 0.2479(3) 0.5227(2) 0.1298(2) 0.0132(7) Uani 1 1 d . . . . .
H7A H 0.2595 0.5602 0.0690 0.016 Uiso 1 1 calc R U . . .
H7B H 0.1743 0.5136 0.1435 0.016 Uiso 1 1 calc R U . . .
C8 C 0.2736(3) 0.5715(2) 0.1817(2) 0.0166(7) Uani 1 1 d . . . . .
H8A H 0.2589 0.5365 0.2430 0.020 Uiso 1 1 calc R U . . .
H8B H 0.3471 0.5809 0.1694 0.020 Uiso 1 1 calc R U . . .
C9 C 0.2349(3) 0.3688(2) 0.1050(2) 0.0143(7) Uani 1 1 d . . . . .
H9A H 0.2668 0.3118 0.1064 0.017 Uiso 1 1 calc R U . . .
H9B H 0.1699 0.3590 0.1429 0.017 Uiso 1 1 calc R U . . .
C10 C 0.2121(3) 0.4255(2) 0.0141(2) 0.0144(7) Uani 1 1 d . . . . .
H10A H 0.1773 0.4815 0.0128 0.017 Uiso 1 1 calc R U . . .
H10B H 0.2771 0.4371 -0.0238 0.017 Uiso 1 1 calc R U . . .
C11 C 0.4834(3) 0.0481(2) 0.1510(2) 0.0148(7) Uani 1 1 d . . . . .
H11A H 0.4871 -0.0084 0.1992 0.018 Uiso 1 1 calc R U . . .
H11B H 0.4316 0.0471 0.1164 0.018 Uiso 1 1 calc R U . . .
C12 C 0.5872(3) 0.0619(2) 0.0970(2) 0.0166(7) Uani 1 1 d . . . . .
H12A H 0.5805 0.1144 0.0449 0.020 Uiso 1 1 calc R U . . .
H12B H 0.6361 0.0719 0.1290 0.020 Uiso 1 1 calc R U . . .
C13 C 0.5218(3) 0.0988(2) 0.2810(2) 0.0189(8) Uani 1 1 d . . . . .
H13A H 0.5014 0.0418 0.3224 0.023 Uiso 1 1 calc R U . . .
H13B H 0.5945 0.0915 0.2597 0.023 Uiso 1 1 calc R U . . .
C14 C 0.5101(3) 0.1613(2) 0.3262(2) 0.0225(8) Uani 1 1 d . . . . .
H14A H 0.5259 0.2195 0.2844 0.027 Uiso 1 1 calc R U . . .
H14B H 0.4386 0.1653 0.3517 0.027 Uiso 1 1 calc R U . . .
C15 C 0.3166(3) 0.1127(2) 0.2464(2) 0.0184(8) Uani 1 1 d . . . . .
H15A H 0.3209 0.0564 0.2947 0.022 Uiso 1 1 calc R U . . .
H15B H 0.2921 0.1575 0.2700 0.022 Uiso 1 1 calc R U . . .
C16 C 0.2367(3) 0.1103(2) 0.1925(2) 0.0164(7) Uani 1 1 d . . . . .
H16A H 0.2408 0.1607 0.1380 0.020 Uiso 1 1 calc R U . . .
H16B H 0.2501 0.0571 0.1803 0.020 Uiso 1 1 calc R U . . .
C17 C 0.2058(3) 0.2724(2) 0.3950(2) 0.0191(8) Uani 1 1 d . . . . .
C18 C 0.1828(3) 0.1854(3) 0.4213(3) 0.0302(10) Uani 1 1 d . . . . .
H18A H 0.1552 0.1603 0.3861 0.036 Uiso 1 1 calc R U . . .
C19 C 0.2046(4) 0.1402(3) 0.5061(3) 0.0376(11) Uani 1 1 d . . . . .
H19A H 0.1950 0.0779 0.5412 0.045 Uiso 1 1 calc R U . . .
C20 C 0.2419(3) 0.1984(3) 0.5320(3) 0.0349(11) Uani 1 1 d . . . . .
H20A H 0.2629 0.1848 0.5892 0.042 Uiso 1 1 calc R U . . .
C21 C 0.2431(3) 0.2804(3) 0.4636(2) 0.0221(8) Uani 1 1 d . . . . .
H21A H 0.2656 0.3343 0.4641 0.027 Uiso 1 1 calc R U . . .
C22 C -0.0276(3) 0.1932(3) 0.5760(3) 0.0371(11) Uani 1 1 d . . . . .
H22A H -0.0346 0.1313 0.6143 0.044 Uiso 1 1 calc R U . . .
C23 C 0.0050(3) 0.2568(3) 0.5976(3) 0.0338(10) Uani 1 1 d . . . . .
H23A H 0.0259 0.2479 0.6536 0.041 Uiso 1 1 calc R U . . .
C24 C 0.0047(3) 0.3354(3) 0.5255(3) 0.0366(11) Uani 1 1 d . . . . .
H24A H 0.0253 0.3916 0.5218 0.044 Uiso 1 1 calc R U . . .
C25 C -0.0291(3) 0.3201(3) 0.4595(3) 0.0417(12) Uani 1 1 d . . . . .
H25A H -0.0374 0.3635 0.4011 0.050 Uiso 1 1 calc R U . . .
C26 C -0.0489(3) 0.2317(3) 0.4914(3) 0.0434(12) Uani 1 1 d . . . . .
H26A H -0.0739 0.2020 0.4592 0.052 Uiso 1 1 calc R U . . .
C27 C 0.2114(3) 0.6577(2) 0.1600(2) 0.0143(7) Uani 1 1 d . . . . .
C28 C 0.1248(3) 0.6785(2) 0.2101(2) 0.0187(8) Uani 1 1 d . . . . .
H28A H 0.0960 0.6396 0.2677 0.022 Uiso 1 1 calc R U . . .
C29 C 0.0870(3) 0.7649(2) 0.1648(3) 0.0252(9) Uani 1 1 d . . . . .
H29A H 0.0270 0.7972 0.1849 0.030 Uiso 1 1 calc R U . . .
C30 C 0.1493(3) 0.7973(2) 0.0874(3) 0.0282(9) Uani 1 1 d . . . . .
H30A H 0.1410 0.8565 0.0425 0.034 Uiso 1 1 calc R U . . .
C31 C 0.2262(3) 0.7312(2) 0.0838(2) 0.0202(8) Uani 1 1 d . . . . .
H31A H 0.2816 0.7360 0.0361 0.024 Uiso 1 1 calc R U . . .
C32 C 0.3814(3) 0.7844(2) 0.1773(2) 0.0206(8) Uani 1 1 d . . . . .
H32A H 0.4386 0.7748 0.1360 0.025 Uiso 1 1 calc R U . . .
C33 C 0.3494(3) 0.7228(2) 0.2581(2) 0.0214(8) Uani 1 1 d . . . . .
H33A H 0.3802 0.6623 0.2846 0.026 Uiso 1 1 calc R U . . .
C34 C 0.2655(3) 0.7636(3) 0.2953(2) 0.0239(9) Uani 1 1 d . . . . .
H34A H 0.2265 0.7360 0.3523 0.029 Uiso 1 1 calc R U . . .
C35 C 0.2464(3) 0.8490(2) 0.2376(3) 0.0234(8) Uani 1 1 d . . . . .
H35A H 0.1912 0.8921 0.2464 0.028 Uiso 1 1 calc R U . . .
C36 C 0.3172(3) 0.8624(2) 0.1642(2) 0.0210(8) Uani 1 1 d . . . . .
H36A H 0.3213 0.9167 0.1122 0.025 Uiso 1 1 calc R U . . .
C37 C 0.1464(2) 0.3825(2) -0.0177(2) 0.0124(7) Uani 1 1 d . . . . .
C38 C 0.1794(3) 0.3208(2) -0.0555(2) 0.0147(7) Uani 1 1 d . . . . .
H38A H 0.2516 0.2991 -0.0670 0.018 Uiso 1 1 calc R U . . .
C39 C 0.0912(3) 0.2954(2) -0.0745(2) 0.0148(7) Uani 1 1 d . . . . .
H39A H 0.0909 0.2530 -0.1017 0.018 Uiso 1 1 calc R U . . .
C40 C 0.0041(3) 0.3413(2) -0.0483(2) 0.0159(7) Uani 1 1 d . . . . .
H40A H -0.0683 0.3371 -0.0539 0.019 Uiso 1 1 calc R U . . .
C41 C 0.0384(3) 0.3943(2) -0.0128(2) 0.0138(7) Uani 1 1 d . . . . .
H41A H -0.0061 0.4345 0.0104 0.017 Uiso 1 1 calc R U . . .
C42 C 0.1970(3) 0.4705(2) -0.2476(2) 0.0197(8) Uani 1 1 d . . . . .
H42A H 0.2653 0.4426 -0.2603 0.024 Uiso 1 1 calc R U . . .
C43 C 0.1782(3) 0.5326(2) -0.2103(2) 0.0221(8) Uani 1 1 d . . . . .
H43A H 0.2307 0.5568 -0.1925 0.026 Uiso 1 1 calc R U . . .
C44 C 0.0710(3) 0.5550(2) -0.2030(2) 0.0261(9) Uani 1 1 d . . . . .
H44A H 0.0348 0.5978 -0.1792 0.031 Uiso 1 1 calc R U . . .
C45 C 0.0250(3) 0.5055(2) -0.2356(2) 0.0245(9) Uani 1 1 d . . . . .
H45A H -0.0495 0.5073 -0.2386 0.029 Uiso 1 1 calc R U . . .
C46 C 0.1025(3) 0.4536(2) -0.2634(2) 0.0204(8) Uani 1 1 d . . . . .
H46A H 0.0926 0.4122 -0.2893 0.025 Uiso 1 1 calc R U . . .
C47 C 0.6295(3) -0.0130(2) 0.0724(2) 0.0144(7) Uani 1 1 d . . . . .
C48 C 0.5722(3) -0.0734(2) 0.0626(2) 0.0155(7) Uani 1 1 d . . . . .
H48A H 0.4963 -0.0738 0.0720 0.019 Uiso 1 1 calc R U . . .
C49 C 0.6420(3) -0.1330(2) 0.0376(2) 0.0172(8) Uani 1 1 d . . . . .
H49A H 0.6236 -0.1826 0.0264 0.021 Uiso 1 1 calc R U . . .
C50 C 0.7422(3) -0.1100(2) 0.0315(2) 0.0196(8) Uani 1 1 d . . . . .
H50A H 0.8067 -0.1407 0.0154 0.024 Uiso 1 1 calc R U . . .
C51 C 0.7347(3) -0.0362(2) 0.0531(2) 0.0186(8) Uani 1 1 d . . . . .
H51A H 0.7932 -0.0060 0.0549 0.022 Uiso 1 1 calc R U . . .
C52 C 0.6603(3) -0.1327(2) 0.2688(2) 0.0215(8) Uani 1 1 d . . . . .
H52A H 0.6493 -0.0794 0.2821 0.026 Uiso 1 1 calc R U . . .
C53 C 0.7564(3) -0.1738(2) 0.2496(2) 0.0188(8) Uani 1 1 d . . . . .
H53A H 0.8249 -0.1544 0.2466 0.023 Uiso 1 1 calc R U . . .
C54 C 0.7367(3) -0.2472(2) 0.2349(2) 0.0191(8) Uani 1 1 d . . . . .
H54A H 0.7895 -0.2879 0.2190 0.023 Uiso 1 1 calc R U . . .
C55 C 0.6298(3) -0.2522(2) 0.2456(2) 0.0201(8) Uani 1 1 d . . . . .
H55A H 0.5942 -0.2969 0.2386 0.024 Uiso 1 1 calc R U . . .
C56 C 0.5823(3) -0.1819(2) 0.2667(2) 0.0207(8) Uani 1 1 d . . . . .
H56A H 0.5073 -0.1686 0.2775 0.025 Uiso 1 1 calc R U . . .
C57 C 0.5792(3) 0.1332(2) 0.3943(2) 0.0220(8) Uani 1 1 d . . . . .
C58 C 0.6870(3) 0.1330(3) 0.3819(3) 0.0311(10) Uani 1 1 d . . . . .
H58A H 0.7307 0.1508 0.3260 0.037 Uiso 1 1 calc R U . . .
C59 C 0.7218(4) 0.1042(3) 0.4622(3) 0.0389(12) Uani 1 1 d . . . . .
H59A H 0.7943 0.0978 0.4733 0.047 Uiso 1 1 calc R U . . .
C60 C 0.6366(4) 0.0859(3) 0.5239(3) 0.0423(13) Uani 1 1 d . . . . .
H60A H 0.6380 0.0643 0.5865 0.051 Uiso 1 1 calc R U . . .
C61 C 0.5482(3) 0.1031(3) 0.4823(3) 0.0318(10) Uani 1 1 d . . . . .
H61A H 0.4765 0.0961 0.5103 0.038 Uiso 1 1 calc R U . . .
C62 C 0.6055(5) 0.3375(4) 0.3577(3) 0.042(2) Uani 0.7 1 d G . P A 1
H62A H 0.5959 0.3555 0.2967 0.051 Uiso 0.7 1 calc R U P A 1
C63 C 0.5271(3) 0.3193(4) 0.4269(4) 0.037(2) Uani 0.7 1 d G . P A 1
H63A H 0.4524 0.3237 0.4231 0.044 Uiso 0.7 1 calc R U P A 1
C64 C 0.5733(4) 0.2948(3) 0.5024(3) 0.044(2) Uani 0.7 1 d G . P A 1
H64A H 0.5368 0.2794 0.5610 0.053 Uiso 0.7 1 calc R U P A 1
C65 C 0.6802(4) 0.2979(3) 0.4798(3) 0.0215(13) Uani 0.7 1 d G . P A 1
H65A H 0.7324 0.2838 0.5198 0.026 Uiso 0.7 1 calc R U P A 1
C66 C 0.7002(3) 0.3243(3) 0.3903(3) 0.0305(15) Uani 0.7 1 d G . P A 1
H66A H 0.7689 0.3308 0.3565 0.037 Uiso 0.7 1 calc R U P A 1
C62A C 0.5230(11) 0.3211(13) 0.4037(9) 0.043(6) Uiso 0.3 1 d G . P A 2
H62B H 0.4657 0.3290 0.3698 0.052 Uiso 0.3 1 calc R U P A 2
C63A C 0.5173(9) 0.2854(9) 0.4935(9) 0.033(4) Uiso 0.3 1 d G . P A 2
H63B H 0.4551 0.2643 0.5339 0.040 Uiso 0.3 1 calc R U P A 2
C64A C 0.6161(12) 0.2820(10) 0.5159(8) 0.048(6) Uiso 0.3 1 d G . P A 2
H64B H 0.6351 0.2604 0.5748 0.058 Uiso 0.3 1 calc R U P A 2
C65A C 0.6829(8) 0.3156(10) 0.4399(11) 0.044(5) Uiso 0.3 1 d G . P A 2
H65B H 0.7570 0.3227 0.4359 0.052 Uiso 0.3 1 calc R U P A 2
C66A C 0.6253(13) 0.3397(12) 0.3706(7) 0.041(6) Uiso 0.3 1 d G . P A 2
H66B H 0.6522 0.3652 0.3092 0.049 Uiso 0.3 1 calc R U P A 2
C67 C 0.1322(3) 0.1123(2) 0.2401(2) 0.0157(7) Uani 1 1 d . . . . .
C68 C 0.0959(3) 0.0450(2) 0.3166(2) 0.0208(8) Uani 1 1 d . . . . .
H68A H 0.1326 -0.0129 0.3443 0.025 Uiso 1 1 calc R U . . .
C69 C -0.0025(3) 0.0748(3) 0.3463(3) 0.0266(9) Uani 1 1 d . . . . .
H69A H -0.0465 0.0413 0.3987 0.032 Uiso 1 1 calc R U . . .
C70 C -0.0267(3) 0.1600(3) 0.2889(3) 0.0278(9) Uani 1 1 d . . . . .
H70A H -0.0910 0.1968 0.2935 0.033 Uiso 1 1 calc R U . . .
C71 C 0.0550(3) 0.1833(2) 0.2238(3) 0.0217(8) Uani 1 1 d . . . . .
H71A H 0.0583 0.2395 0.1740 0.026 Uiso 1 1 calc R U . . .
C72 C 0.0238(3) 0.0272(3) 0.1350(3) 0.0271(9) Uani 1 1 d . . . . .
H72A H 0.0914 0.0198 0.1029 0.033 Uiso 1 1 calc R U . . .
C73 C -0.0198(3) -0.0344(2) 0.2104(3) 0.0248(9) Uani 1 1 d . . . . .
H73A H 0.0122 -0.0934 0.2417 0.030 Uiso 1 1 calc R U . . .
C74 C -0.1160(3) 0.0012(2) 0.2357(3) 0.0262(9) Uani 1 1 d . . . . .
H74A H -0.1638 -0.0282 0.2871 0.031 Uiso 1 1 calc R U . . .
C75 C -0.1324(3) 0.0854(3) 0.1746(3) 0.0293(10) Uani 1 1 d . . . . .
H75A H -0.1939 0.1264 0.1755 0.035 Uiso 1 1 calc R U . . .
C76 C -0.0466(3) 0.1023(3) 0.1125(3) 0.0308(10) Uani 1 1 d . . . . .
H76A H -0.0369 0.1570 0.0617 0.037 Uiso 1 1 calc R U . . .
O1S O 0.3191(2) 0.49444(19) 0.39813(18) 0.0352(7) Uani 1 1 d . . . . .
C1S C 0.2203(4) 0.5152(3) 0.4332(3) 0.0400(11) Uani 1 1 d . . . . .
H1SA H 0.1685 0.4877 0.4194 0.048 Uiso 1 1 calc R U . . .
H1SB H 0.2035 0.5785 0.4105 0.048 Uiso 1 1 calc R U . . .
C2S C 0.2227(4) 0.4808(3) 0.5290(3) 0.0424(12) Uani 1 1 d . . . . .
H2SA H 0.1909 0.4253 0.5575 0.051 Uiso 1 1 calc R U . . .
H2SB H 0.1867 0.5228 0.5529 0.051 Uiso 1 1 calc R U . . .
C3S C 0.3365(4) 0.4683(3) 0.5390(3) 0.0413(12) Uani 1 1 d . . . . .
H3SA H 0.3523 0.5003 0.5722 0.050 Uiso 1 1 calc R U . . .
H3SB H 0.3589 0.4064 0.5672 0.050 Uiso 1 1 calc R U . . .
C4S C 0.3870(4) 0.5050(3) 0.4482(3) 0.0351(10) Uani 1 1 d . . . . .
H4SA H 0.3971 0.5669 0.4309 0.042 Uiso 1 1 calc R U . . .
H4SB H 0.4540 0.4733 0.4421 0.042 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 O1 1.991(3) . ?
Cu1 O2 2.148(3) . ?
Cu1 P1 2.1513(16) . ?
Cu1 O2 2.173(2) 2_665 ?
Cu1 Cu2 2.7986(14) . ?
Cu2 O4 1.982(3) . ?
Cu2 O3 2.052(3) . ?
Cu2 P2 2.1646(13) . ?
Fe1 C26 2.022(5) . ?
Fe1 C22 2.027(4) . ?
Fe1 C17 2.030(4) . ?
Fe1 C18 2.031(4) . ?
Fe1 C25 2.038(5) . ?
Fe1 C19 2.040(4) . ?
Fe1 C21 2.041(4) . ?
Fe1 C20 2.043(4) . ?
Fe1 C24 2.044(4) . ?
Fe1 C23 2.045(4) . ?
Fe2 C33 2.025(4) . ?
Fe2 C30 2.027(4) . ?
Fe2 C31 2.030(4) . ?
Fe2 C32 2.030(4) . ?
Fe2 C34 2.031(4) . ?
Fe2 C29 2.034(4) . ?
Fe2 C27 2.038(3) . ?
Fe2 C36 2.040(4) . ?
Fe2 C28 2.040(4) . ?
Fe2 C35 2.049(4) . ?
Fe3 C38 2.041(3) . ?
Fe3 C45 2.044(4) . ?
Fe3 C39 2.045(3) . ?
Fe3 C37 2.047(4) . ?
Fe3 C42 2.049(4) . ?
Fe3 C44 2.049(4) . ?
Fe3 C43 2.049(4) . ?
Fe3 C46 2.052(4) . ?
Fe3 C40 2.053(4) . ?
Fe3 C41 2.055(4) . ?
Fe4 C52 2.029(4) . ?
Fe4 C53 2.043(4) . ?
Fe4 C56 2.043(4) . ?
Fe4 C48 2.045(4) . ?
Fe4 C54 2.046(4) . ?
Fe4 C49 2.047(4) . ?
Fe4 C51 2.048(4) . ?
Fe4 C47 2.051(3) . ?
Fe4 C50 2.053(4) . ?
Fe4 C55 2.056(4) . ?
Fe5 C65A 1.987(15) . ?
Fe5 C64A 2.011(15) . ?
Fe5 C64 2.020(5) . ?
Fe5 C60 2.029(4) . ?
Fe5 C63 2.030(6) . ?
Fe5 C66A 2.030(18) . ?
Fe5 C59 2.031(4) . ?
Fe5 C57 2.038(4) . ?
Fe5 C58 2.040(4) . ?
Fe5 C61 2.044(4) . ?
Fe5 C65 2.052(4) . ?
Fe5 C62 2.068(6) . ?
Fe6 C69 2.033(4) . ?
Fe6 C76 2.038(4) . ?
Fe6 C68 2.043(4) . ?
Fe6 C73 2.043(4) . ?
Fe6 C74 2.044(4) . ?
Fe6 C72 2.044(4) . ?
Fe6 C75 2.044(4) . ?
Fe6 C70 2.045(4) . ?
Fe6 C71 2.049(4) . ?
Fe6 C67 2.055(4) . ?
P1 C5 1.831(4) . ?
P1 C9 1.841(3) . ?
P1 C7 1.849(3) . ?
P2 C15 1.831(4) . ?
P2 C11 1.837(3) . ?
P2 C13 1.845(4) . ?
O1 C1 1.253(4) . ?
O2 C3 1.269(4) . ?
O2 Cu1 2.173(2) 2_665 ?
O3 C1 1.260(4) . ?
O4 C3 1.263(4) . ?
C1 C2 1.516(5) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.509(5) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.524(5) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C17 1.501(5) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.539(5) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C27 1.513(5) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.539(5) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C37 1.498(4) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.532(5) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C47 1.501(5) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.521(5) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C57 1.500(5) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.538(5) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C67 1.503(5) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C21 1.418(5) . ?
C17 C18 1.419(5) . ?
C18 C19 1.418(6) . ?
C18 H18A 1.0000 . ?
C19 C20 1.404(7) . ?
C19 H19A 1.0000 . ?
C20 C21 1.423(6) . ?
C20 H20A 1.0000 . ?
C21 H21A 1.0000 . ?
C22 C26 1.406(7) . ?
C22 C23 1.407(6) . ?
C22 H22A 1.0000 . ?
C23 C24 1.418(6) . ?
C23 H23A 1.0000 . ?
C24 C25 1.416(7) . ?
C24 H24A 1.0000 . ?
C25 C26 1.419(7) . ?
C25 H25A 1.0000 . ?
C26 H26A 1.0000 . ?
C27 C31 1.417(5) . ?
C27 C28 1.419(5) . ?
C28 C29 1.422(5) . ?
C28 H28A 1.0000 . ?
C29 C30 1.404(6) . ?
C29 H29A 1.0000 . ?
C30 C31 1.422(5) . ?
C30 H30A 1.0000 . ?
C31 H31A 1.0000 . ?
C32 C33 1.415(5) . ?
C32 C36 1.428(5) . ?
C32 H32A 1.0000 . ?
C33 C34 1.431(5) . ?
C33 H33A 1.0000 . ?
C34 C35 1.410(6) . ?
C34 H34A 1.0000 . ?
C35 C36 1.414(5) . ?
C35 H35A 1.0000 . ?
C36 H36A 1.0000 . ?
C37 C41 1.421(5) . ?
C37 C38 1.424(5) . ?
C38 C39 1.433(5) . ?
C38 H38A 1.0000 . ?
C39 C40 1.420(5) . ?
C39 H39A 1.0000 . ?
C40 C41 1.424(5) . ?
C40 H40A 1.0000 . ?
C41 H41A 1.0000 . ?
C42 C43 1.410(5) . ?
C42 C46 1.419(5) . ?
C42 H42A 1.0000 . ?
C43 C44 1.427(6) . ?
C43 H43A 1.0000 . ?
C44 C45 1.420(6) . ?
C44 H44A 1.0000 . ?
C45 C46 1.412(5) . ?
C45 H45A 1.0000 . ?
C46 H46A 1.0000 . ?
C47 C51 1.425(5) . ?
C47 C48 1.430(5) . ?
C48 C49 1.424(5) . ?
C48 H48A 1.0000 . ?
C49 C50 1.418(5) . ?
C49 H49A 1.0000 . ?
C50 C51 1.424(5) . ?
C50 H50A 1.0000 . ?
C51 H51A 1.0000 . ?
C52 C53 1.427(5) . ?
C52 C56 1.430(5) . ?
C52 H52A 1.0000 . ?
C53 C54 1.425(5) . ?
C53 H53A 1.0000 . ?
C54 C55 1.418(5) . ?
C54 H54A 1.0000 . ?
C55 C56 1.416(5) . ?
C55 H55A 1.0000 . ?
C56 H56A 1.0000 . ?
C57 C61 1.411(5) . ?
C57 C58 1.419(5) . ?
C58 C59 1.411(6) . ?
C58 H58A 1.0000 . ?
C59 C60 1.404(7) . ?
C59 H59A 1.0000 . ?
C60 C61 1.415(6) . ?
C60 H60A 1.0000 . ?
C61 H61A 1.0000 . ?
C62 C63 1.4200 . ?
C62 C66 1.4200 . ?
C62 H62A 1.0000 . ?
C63 C64 1.4200 . ?
C63 H63A 1.0000 . ?
C64 C65 1.4200 . ?
C64 H64A 1.0000 . ?
C65 C66 1.4200 . ?
C65 H65A 1.0000 . ?
C66 H66A 1.0000 . ?
C62A C63A 1.4200 . ?
C62A C66A 1.4200 . ?
C62A H62B 1.0000 . ?
C63A C64A 1.4200 . ?
C63A H63B 1.0000 . ?
C64A C65A 1.4200 . ?
C64A H64B 1.0000 . ?
C65A C66A 1.4200 . ?
C65A H65B 1.0000 . ?
C66A H66B 1.0000 . ?
C67 C68 1.427(5) . ?
C67 C71 1.437(5) . ?
C68 C69 1.430(5) . ?
C68 H68A 1.0000 . ?
C69 C70 1.419(6) . ?
C69 H69A 1.0000 . ?
C70 C71 1.408(5) . ?
C70 H70A 1.0000 . ?
C71 H71A 1.0000 . ?
C72 C73 1.405(6) . ?
C72 C76 1.429(6) . ?
C72 H72A 1.0000 . ?
C73 C74 1.420(6) . ?
C73 H73A 1.0000 . ?
C74 C75 1.411(6) . ?
C74 H74A 1.0000 . ?
C75 C76 1.413(6) . ?
C75 H75A 1.0000 . ?
C76 H76A 1.0000 . ?
O1S C1S 1.419(5) . ?
O1S C4S 1.421(5) . ?
C1S C2S 1.527(6) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C2S C3S 1.532(7) . ?
C2S H2SA 0.9900 . ?
C2S H2SB 0.9900 . ?
C3S C4S 1.519(6) . ?
C3S H3SA 0.9900 . ?
C3S H3SB 0.9900 . ?
C4S H4SA 0.9900 . ?
C4S H4SB 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Cu1 O2 99.83(10) . . ?
O1 Cu1 P1 143.60(9) . . ?
O2 Cu1 P1 113.65(7) . . ?
O1 Cu1 O2 92.96(10) . 2_665 ?
O2 Cu1 O2 82.88(9) . 2_665 ?
P1 Cu1 O2 104.57(7) . 2_665 ?
O1 Cu1 Cu2 84.35(7) . . ?
O2 Cu1 Cu2 74.46(6) . . ?
P1 Cu1 Cu2 90.97(4) . . ?
O2 Cu1 Cu2 156.31(7) 2_665 . ?
O4 Cu2 O3 111.17(11) . . ?
O4 Cu2 P2 130.44(8) . . ?
O3 Cu2 P2 106.33(8) . . ?
O4 Cu2 Cu1 86.42(7) . . ?
O3 Cu2 Cu1 78.86(7) . . ?
P2 Cu2 Cu1 132.56(4) . . ?
C26 Fe1 C22 40.63(19) . . ?
C26 Fe1 C17 123.23(18) . . ?
C22 Fe1 C17 160.25(17) . . ?
C26 Fe1 C18 106.28(19) . . ?
C22 Fe1 C18 123.74(18) . . ?
C17 Fe1 C18 40.90(15) . . ?
C26 Fe1 C25 40.9(2) . . ?
C22 Fe1 C25 68.60(19) . . ?
C17 Fe1 C25 106.39(17) . . ?
C18 Fe1 C25 120.1(2) . . ?
C26 Fe1 C19 120.4(2) . . ?
C22 Fe1 C19 107.42(19) . . ?
C17 Fe1 C19 68.85(16) . . ?
C18 Fe1 C19 40.77(17) . . ?
C25 Fe1 C19 155.7(2) . . ?
C26 Fe1 C21 160.77(18) . . ?
C22 Fe1 C21 157.60(18) . . ?
C17 Fe1 C21 40.77(15) . . ?
C18 Fe1 C21 68.38(16) . . ?
C25 Fe1 C21 124.44(18) . . ?
C19 Fe1 C21 68.39(17) . . ?
C26 Fe1 C20 156.2(2) . . ?
C22 Fe1 C20 121.86(19) . . ?
C17 Fe1 C20 68.63(16) . . ?
C18 Fe1 C20 68.10(18) . . ?
C25 Fe1 C20 162.2(2) . . ?
C19 Fe1 C20 40.24(19) . . ?
C21 Fe1 C20 40.79(16) . . ?
C26 Fe1 C24 68.4(2) . . ?
C22 Fe1 C24 68.34(18) . . ?
C17 Fe1 C24 121.08(16) . . ?
C18 Fe1 C24 156.04(19) . . ?
C25 Fe1 C24 40.6(2) . . ?
C19 Fe1 C24 162.2(2) . . ?
C21 Fe1 C24 108.54(17) . . ?
C20 Fe1 C24 126.1(2) . . ?
C26 Fe1 C23 68.1(2) . . ?
C22 Fe1 C23 40.43(18) . . ?
C17 Fe1 C23 157.27(17) . . ?
C18 Fe1 C23 161.11(17) . . ?
C25 Fe1 C23 68.29(19) . . ?
C19 Fe1 C23 125.15(18) . . ?
C21 Fe1 C23 122.76(17) . . ?
C20 Fe1 C23 109.29(18) . . ?
C24 Fe1 C23 40.58(17) . . ?
C33 Fe2 C30 164.20(17) . . ?
C33 Fe2 C31 125.47(16) . . ?
C30 Fe2 C31 41.04(15) . . ?
C33 Fe2 C32 40.84(15) . . ?
C30 Fe2 C32 126.72(17) . . ?
C31 Fe2 C32 105.45(16) . . ?
C33 Fe2 C34 41.31(15) . . ?
C30 Fe2 C34 153.27(17) . . ?
C31 Fe2 C34 165.09(16) . . ?
C32 Fe2 C34 68.68(16) . . ?
C33 Fe2 C29 153.14(16) . . ?
C30 Fe2 C29 40.45(17) . . ?
C31 Fe2 C29 68.53(16) . . ?
C32 Fe2 C29 165.71(16) . . ?
C34 Fe2 C29 120.30(17) . . ?
C33 Fe2 C27 105.85(15) . . ?
C30 Fe2 C27 68.88(15) . . ?
C31 Fe2 C27 40.79(14) . . ?
C32 Fe2 C27 115.76(15) . . ?
C34 Fe2 C27 128.11(15) . . ?
C29 Fe2 C27 68.77(14) . . ?
C33 Fe2 C36 69.05(15) . . ?
C30 Fe2 C36 107.65(16) . . ?
C31 Fe2 C36 116.87(15) . . ?
C32 Fe2 C36 41.07(15) . . ?
C34 Fe2 C36 68.35(16) . . ?
C29 Fe2 C36 128.83(15) . . ?
C27 Fe2 C36 150.12(15) . . ?
C33 Fe2 C28 117.93(16) . . ?
C30 Fe2 C28 68.46(16) . . ?
C31 Fe2 C28 68.43(15) . . ?
C32 Fe2 C28 150.60(15) . . ?
C34 Fe2 C28 109.53(16) . . ?
C29 Fe2 C28 40.84(15) . . ?
C27 Fe2 C28 40.74(14) . . ?
C36 Fe2 C28 167.72(15) . . ?
C33 Fe2 C35 68.92(16) . . ?
C30 Fe2 C35 119.29(16) . . ?
C31 Fe2 C35 151.79(16) . . ?
C32 Fe2 C35 68.54(15) . . ?
C34 Fe2 C35 40.42(16) . . ?
C29 Fe2 C35 110.24(15) . . ?
C27 Fe2 C35 167.12(15) . . ?
C36 Fe2 C35 40.48(15) . . ?
C28 Fe2 C35 130.24(15) . . ?
C38 Fe3 C45 162.75(15) . . ?
C38 Fe3 C39 41.05(13) . . ?
C45 Fe3 C39 126.00(16) . . ?
C38 Fe3 C37 40.78(13) . . ?
C45 Fe3 C37 155.70(15) . . ?
C39 Fe3 C37 68.80(13) . . ?
C38 Fe3 C42 106.63(15) . . ?
C45 Fe3 C42 67.90(15) . . ?
C39 Fe3 C42 119.41(14) . . ?
C37 Fe3 C42 125.04(15) . . ?
C38 Fe3 C44 154.37(16) . . ?
C45 Fe3 C44 40.59(16) . . ?
C39 Fe3 C44 163.75(16) . . ?
C37 Fe3 C44 120.37(15) . . ?
C42 Fe3 C44 67.99(15) . . ?
C38 Fe3 C43 118.91(15) . . ?
C45 Fe3 C43 68.26(16) . . ?
C39 Fe3 C43 153.73(15) . . ?
C37 Fe3 C43 107.24(15) . . ?
C42 Fe3 C43 40.24(15) . . ?
C44 Fe3 C43 40.74(16) . . ?
C38 Fe3 C46 125.08(15) . . ?
C45 Fe3 C46 40.31(15) . . ?
C39 Fe3 C46 107.34(15) . . ?
C37 Fe3 C46 162.23(14) . . ?
C42 Fe3 C46 40.48(14) . . ?
C44 Fe3 C46 68.09(16) . . ?
C43 Fe3 C46 68.08(15) . . ?
C38 Fe3 C40 68.62(14) . . ?
C45 Fe3 C40 108.83(15) . . ?
C39 Fe3 C40 40.55(13) . . ?
C37 Fe3 C40 68.66(14) . . ?
C42 Fe3 C40 154.51(14) . . ?
C44 Fe3 C40 127.07(15) . . ?
C43 Fe3 C40 164.25(15) . . ?
C46 Fe3 C40 120.45(15) . . ?
C38 Fe3 C41 68.15(14) . . ?
C45 Fe3 C41 121.78(15) . . ?
C39 Fe3 C41 68.12(13) . . ?
C37 Fe3 C41 40.53(13) . . ?
C42 Fe3 C41 162.91(14) . . ?
C44 Fe3 C41 109.22(15) . . ?
C43 Fe3 C41 126.68(14) . . ?
C46 Fe3 C41 155.74(14) . . ?
C40 Fe3 C41 40.56(13) . . ?
C52 Fe4 C53 41.03(15) . . ?
C52 Fe4 C56 41.13(15) . . ?
C53 Fe4 C56 68.81(16) . . ?
C52 Fe4 C48 127.02(15) . . ?
C53 Fe4 C48 165.67(14) . . ?
C56 Fe4 C48 107.08(15) . . ?
C52 Fe4 C54 68.69(15) . . ?
C53 Fe4 C54 40.80(14) . . ?
C56 Fe4 C54 68.15(15) . . ?
C48 Fe4 C54 151.86(14) . . ?
C52 Fe4 C49 166.17(15) . . ?
C53 Fe4 C49 152.23(15) . . ?
C56 Fe4 C49 128.69(16) . . ?
C48 Fe4 C49 40.72(14) . . ?
C54 Fe4 C49 119.40(14) . . ?
C52 Fe4 C51 116.38(16) . . ?
C53 Fe4 C51 107.83(15) . . ?
C56 Fe4 C51 149.91(15) . . ?
C48 Fe4 C51 68.41(15) . . ?
C54 Fe4 C51 129.84(15) . . ?
C49 Fe4 C51 68.29(15) . . ?
C52 Fe4 C47 105.82(15) . . ?
C53 Fe4 C47 127.43(14) . . ?
C56 Fe4 C47 116.17(14) . . ?
C48 Fe4 C47 40.86(13) . . ?
C54 Fe4 C47 166.86(14) . . ?
C49 Fe4 C47 68.63(14) . . ?
C51 Fe4 C47 40.70(14) . . ?
C52 Fe4 C50 150.84(16) . . ?
C53 Fe4 C50 118.48(16) . . ?
C56 Fe4 C50 167.55(15) . . ?
C48 Fe4 C50 68.34(15) . . ?
C54 Fe4 C50 110.05(15) . . ?
C49 Fe4 C50 40.48(15) . . ?
C51 Fe4 C50 40.63(14) . . ?
C47 Fe4 C50 68.54(14) . . ?
C52 Fe4 C55 68.74(15) . . ?
C53 Fe4 C55 68.59(15) . . ?
C56 Fe4 C55 40.41(15) . . ?
C48 Fe4 C55 117.81(15) . . ?
C54 Fe4 C55 40.44(15) . . ?
C49 Fe4 C55 109.37(15) . . ?
C51 Fe4 C55 168.38(15) . . ?
C47 Fe4 C55 150.22(15) . . ?
C50 Fe4 C55 130.35(15) . . ?
C65A Fe5 C64A 41.6(3) . . ?
C65A Fe5 C60 132.1(5) . . ?
C64A Fe5 C60 106.4(4) . . ?
C64 Fe5 C60 114.2(2) . . ?
C64 Fe5 C63 41.05(10) . . ?
C60 Fe5 C63 139.3(2) . . ?
C65A Fe5 C66A 41.4(3) . . ?
C64A Fe5 C66A 69.3(4) . . ?
C60 Fe5 C66A 173.3(5) . . ?
C65A Fe5 C59 116.2(4) . . ?
C64A Fe5 C59 121.9(4) . . ?
C64 Fe5 C59 138.4(2) . . ?
C60 Fe5 C59 40.5(2) . . ?
C63 Fe5 C59 179.5(2) . . ?
C66A Fe5 C59 137.0(5) . . ?
C65A Fe5 C57 155.4(5) . . ?
C64A Fe5 C57 158.5(5) . . ?
C64 Fe5 C57 143.7(2) . . ?
C60 Fe5 C57 68.33(17) . . ?
C63 Fe5 C57 111.89(19) . . ?
C66A Fe5 C57 117.6(5) . . ?
C59 Fe5 C57 68.51(16) . . ?
C65A Fe5 C58 126.3(4) . . ?
C64A Fe5 C58 158.6(4) . . ?
C64 Fe5 C58 175.19(19) . . ?
C60 Fe5 C58 68.1(2) . . ?
C63 Fe5 C58 139.9(2) . . ?
C66A Fe5 C58 113.9(4) . . ?
C59 Fe5 C58 40.57(17) . . ?
C57 Fe5 C58 40.74(15) . . ?
C65A Fe5 C61 163.6(5) . . ?
C64A Fe5 C61 122.1(5) . . ?
C64 Fe5 C61 116.49(19) . . ?
C60 Fe5 C61 40.66(17) . . ?
C63 Fe5 C61 111.8(2) . . ?
C66A Fe5 C61 145.9(5) . . ?
C59 Fe5 C61 68.26(19) . . ?
C57 Fe5 C61 40.45(16) . . ?
C58 Fe5 C61 68.09(18) . . ?
C64 Fe5 C65 40.81(8) . . ?
C60 Fe5 C65 116.35(17) . . ?
C63 Fe5 C65 68.51(12) . . ?
C59 Fe5 C65 111.14(18) . . ?
C57 Fe5 C65 172.87(18) . . ?
C58 Fe5 C65 134.51(19) . . ?
C61 Fe5 C65 146.55(18) . . ?
C64 Fe5 C62 68.39(13) . . ?
C60 Fe5 C62 175.81(19) . . ?
C63 Fe5 C62 40.54(11) . . ?
C59 Fe5 C62 139.8(2) . . ?
C57 Fe5 C62 107.59(18) . . ?
C58 Fe5 C62 109.7(2) . . ?
C61 Fe5 C62 135.47(19) . . ?
C65 Fe5 C62 67.80(11) . . ?
C69 Fe6 C76 160.86(18) . . ?
C69 Fe6 C68 41.09(15) . . ?
C76 Fe6 C68 156.48(17) . . ?
C69 Fe6 C73 121.86(17) . . ?
C76 Fe6 C73 68.03(16) . . ?
C68 Fe6 C73 108.38(16) . . ?
C69 Fe6 C74 107.66(17) . . ?
C76 Fe6 C74 68.20(17) . . ?
C68 Fe6 C74 125.25(16) . . ?
C73 Fe6 C74 40.65(16) . . ?
C69 Fe6 C72 156.70(17) . . ?
C76 Fe6 C72 40.99(17) . . ?
C68 Fe6 C72 121.12(17) . . ?
C73 Fe6 C72 40.21(16) . . ?
C74 Fe6 C72 68.38(16) . . ?
C69 Fe6 C75 124.34(17) . . ?
C76 Fe6 C75 40.51(17) . . ?
C68 Fe6 C75 161.76(16) . . ?
C73 Fe6 C75 67.96(16) . . ?
C74 Fe6 C75 40.38(16) . . ?
C72 Fe6 C75 68.47(17) . . ?
C69 Fe6 C70 40.72(17) . . ?
C76 Fe6 C70 123.99(18) . . ?
C68 Fe6 C70 68.75(16) . . ?
C73 Fe6 C70 156.72(16) . . ?
C74 Fe6 C70 120.84(16) . . ?
C72 Fe6 C70 161.31(17) . . ?
C75 Fe6 C70 107.13(17) . . ?
C69 Fe6 C71 68.22(16) . . ?
C76 Fe6 C71 107.34(16) . . ?
C68 Fe6 C71 68.53(15) . . ?
C73 Fe6 C71 162.09(16) . . ?
C74 Fe6 C71 155.52(16) . . ?
C72 Fe6 C71 125.05(16) . . ?
C75 Fe6 C71 120.57(16) . . ?
C70 Fe6 C71 40.24(15) . . ?
C69 Fe6 C67 68.82(15) . . ?
C76 Fe6 C67 120.90(16) . . ?
C68 Fe6 C67 40.75(14) . . ?
C73 Fe6 C67 125.20(15) . . ?
C74 Fe6 C67 162.17(15) . . ?
C72 Fe6 C67 107.53(15) . . ?
C75 Fe6 C67 156.00(16) . . ?
C70 Fe6 C67 68.67(15) . . ?
C71 Fe6 C67 41.01(14) . . ?
C5 P1 C9 103.22(16) . . ?
C5 P1 C7 106.56(16) . . ?
C9 P1 C7 100.10(16) . . ?
C5 P1 Cu1 112.39(12) . . ?
C9 P1 Cu1 118.25(12) . . ?
C7 P1 Cu1 114.78(12) . . ?
C15 P2 C11 104.72(16) . . ?
C15 P2 C13 101.86(17) . . ?
C11 P2 C13 100.91(16) . . ?
C15 P2 Cu2 124.36(13) . . ?
C11 P2 Cu2 109.22(12) . . ?
C13 P2 Cu2 113.05(13) . . ?
C1 O1 Cu1 122.3(2) . . ?
C3 O2 Cu1 125.1(2) . . ?
C3 O2 Cu1 132.0(2) . 2_665 ?
Cu1 O2 Cu1 97.12(9) . 2_665 ?
C1 O3 Cu2 126.4(2) . . ?
C3 O4 Cu2 120.7(2) . . ?
O1 C1 O3 125.7(3) . . ?
O1 C1 C2 117.3(3) . . ?
O3 C1 C2 117.0(3) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O4 C3 O2 123.0(3) . . ?
O4 C3 C4 117.8(3) . . ?
O2 C3 C4 119.2(3) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 P1 119.8(3) . . ?
C6 C5 H5A 107.4 . . ?
P1 C5 H5A 107.4 . . ?
C6 C5 H5B 107.4 . . ?
P1 C5 H5B 107.4 . . ?
H5A C5 H5B 106.9 . . ?
C17 C6 C5 108.9(3) . . ?
C17 C6 H6A 109.9 . . ?
C5 C6 H6A 109.9 . . ?
C17 C6 H6B 109.9 . . ?
C5 C6 H6B 109.9 . . ?
H6A C6 H6B 108.3 . . ?
C8 C7 P1 116.5(2) . . ?
C8 C7 H7A 108.2 . . ?
P1 C7 H7A 108.2 . . ?
C8 C7 H7B 108.2 . . ?
P1 C7 H7B 108.2 . . ?
H7A C7 H7B 107.3 . . ?
C27 C8 C7 110.3(3) . . ?
C27 C8 H8A 109.6 . . ?
C7 C8 H8A 109.6 . . ?
C27 C8 H8B 109.6 . . ?
C7 C8 H8B 109.6 . . ?
H8A C8 H8B 108.1 . . ?
C10 C9 P1 113.1(2) . . ?
C10 C9 H9A 109.0 . . ?
P1 C9 H9A 109.0 . . ?
C10 C9 H9B 109.0 . . ?
P1 C9 H9B 109.0 . . ?
H9A C9 H9B 107.8 . . ?
C37 C10 C9 111.4(3) . . ?
C37 C10 H10A 109.3 . . ?
C9 C10 H10A 109.3 . . ?
C37 C10 H10B 109.3 . . ?
C9 C10 H10B 109.3 . . ?
H10A C10 H10B 108.0 . . ?
C12 C11 P2 110.8(2) . . ?
C12 C11 H11A 109.5 . . ?
P2 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
P2 C11 H11B 109.5 . . ?
H11A C11 H11B 108.1 . . ?
C47 C12 C11 113.3(3) . . ?
C47 C12 H12A 108.9 . . ?
C11 C12 H12A 108.9 . . ?
C47 C12 H12B 108.9 . . ?
C11 C12 H12B 108.9 . . ?
H12A C12 H12B 107.7 . . ?
C14 C13 P2 113.5(3) . . ?
C14 C13 H13A 108.9 . . ?
P2 C13 H13A 108.9 . . ?
C14 C13 H13B 108.9 . . ?
P2 C13 H13B 108.9 . . ?
H13A C13 H13B 107.7 . . ?
C57 C14 C13 111.8(3) . . ?
C57 C14 H14A 109.2 . . ?
C13 C14 H14A 109.2 . . ?
C57 C14 H14B 109.2 . . ?
C13 C14 H14B 109.2 . . ?
H14A C14 H14B 107.9 . . ?
C16 C15 P2 116.1(2) . . ?
C16 C15 H15A 108.3 . . ?
P2 C15 H15A 108.3 . . ?
C16 C15 H15B 108.3 . . ?
P2 C15 H15B 108.3 . . ?
H15A C15 H15B 107.4 . . ?
C67 C16 C15 109.3(3) . . ?
C67 C16 H16A 109.8 . . ?
C15 C16 H16A 109.8 . . ?
C67 C16 H16B 109.8 . . ?
C15 C16 H16B 109.8 . . ?
H16A C16 H16B 108.3 . . ?
C21 C17 C18 107.5(3) . . ?
C21 C17 C6 125.4(3) . . ?
C18 C17 C6 126.9(4) . . ?
C21 C17 Fe1 70.0(2) . . ?
C18 C17 Fe1 69.6(2) . . ?
C6 C17 Fe1 128.5(3) . . ?
C19 C18 C17 108.4(4) . . ?
C19 C18 Fe1 69.9(2) . . ?
C17 C18 Fe1 69.5(2) . . ?
C19 C18 H18A 125.8 . . ?
C17 C18 H18A 125.8 . . ?
Fe1 C18 H18A 125.8 . . ?
C20 C19 C18 107.9(4) . . ?
C20 C19 Fe1 70.0(2) . . ?
C18 C19 Fe1 69.3(2) . . ?
C20 C19 H19A 126.1 . . ?
C18 C19 H19A 126.1 . . ?
Fe1 C19 H19A 126.1 . . ?
C19 C20 C21 108.4(4) . . ?
C19 C20 Fe1 69.7(3) . . ?
C21 C20 Fe1 69.5(2) . . ?
C19 C20 H20A 125.8 . . ?
C21 C20 H20A 125.8 . . ?
Fe1 C20 H20A 125.8 . . ?
C17 C21 C20 107.8(4) . . ?
C17 C21 Fe1 69.2(2) . . ?
C20 C21 Fe1 69.7(2) . . ?
C17 C21 H21A 126.1 . . ?
C20 C21 H21A 126.1 . . ?
Fe1 C21 H21A 126.1 . . ?
C26 C22 C23 108.2(4) . . ?
C26 C22 Fe1 69.5(2) . . ?
C23 C22 Fe1 70.5(2) . . ?
C26 C22 H22A 125.9 . . ?
C23 C22 H22A 125.9 . . ?
Fe1 C22 H22A 125.9 . . ?
C22 C23 C24 108.1(4) . . ?
C22 C23 Fe1 69.1(2) . . ?
C24 C23 Fe1 69.7(2) . . ?
C22 C23 H23A 126.0 . . ?
C24 C23 H23A 126.0 . . ?
Fe1 C23 H23A 126.0 . . ?
C25 C24 C23 107.9(4) . . ?
C25 C24 Fe1 69.5(3) . . ?
C23 C24 Fe1 69.7(2) . . ?
C25 C24 H24A 126.0 . . ?
C23 C24 H24A 126.0 . . ?
Fe1 C24 H24A 126.0 . . ?
C24 C25 C26 107.5(4) . . ?
C24 C25 Fe1 70.0(3) . . ?
C26 C25 Fe1 69.0(3) . . ?
C24 C25 H25A 126.3 . . ?
C26 C25 H25A 126.3 . . ?
Fe1 C25 H25A 126.3 . . ?
C22 C26 C25 108.4(4) . . ?
C22 C26 Fe1 69.9(3) . . ?
C25 C26 Fe1 70.1(3) . . ?
C22 C26 H26A 125.8 . . ?
C25 C26 H26A 125.8 . . ?
Fe1 C26 H26A 125.8 . . ?
C31 C27 C28 107.6(3) . . ?
C31 C27 C8 126.0(3) . . ?
C28 C27 C8 126.4(3) . . ?
C31 C27 Fe2 69.3(2) . . ?
C28 C27 Fe2 69.7(2) . . ?
C8 C27 Fe2 128.6(2) . . ?
C27 C28 C29 108.1(3) . . ?
C27 C28 Fe2 69.5(2) . . ?
C29 C28 Fe2 69.3(2) . . ?
C27 C28 H28A 126.0 . . ?
C29 C28 H28A 126.0 . . ?
Fe2 C28 H28A 126.0 . . ?
C30 C29 C28 108.1(3) . . ?
C30 C29 Fe2 69.5(2) . . ?
C28 C29 Fe2 69.8(2) . . ?
C30 C29 H29A 125.9 . . ?
C28 C29 H29A 125.9 . . ?
Fe2 C29 H29A 125.9 . . ?
C29 C30 C31 108.1(3) . . ?
C29 C30 Fe2 70.0(2) . . ?
C31 C30 Fe2 69.6(2) . . ?
C29 C30 H30A 125.9 . . ?
C31 C30 H30A 125.9 . . ?
Fe2 C30 H30A 125.9 . . ?
C27 C31 C30 108.1(3) . . ?
C27 C31 Fe2 69.9(2) . . ?
C30 C31 Fe2 69.4(2) . . ?
C27 C31 H31A 125.9 . . ?
C30 C31 H31A 125.9 . . ?
Fe2 C31 H31A 125.9 . . ?
C33 C32 C36 108.3(3) . . ?
C33 C32 Fe2 69.4(2) . . ?
C36 C32 Fe2 69.8(2) . . ?
C33 C32 H32A 125.9 . . ?
C36 C32 H32A 125.9 . . ?
Fe2 C32 H32A 125.9 . . ?
C32 C33 C34 107.2(3) . . ?
C32 C33 Fe2 69.8(2) . . ?
C34 C33 Fe2 69.6(2) . . ?
C32 C33 H33A 126.4 . . ?
C34 C33 H33A 126.4 . . ?
Fe2 C33 H33A 126.4 . . ?
C35 C34 C33 108.5(4) . . ?
C35 C34 Fe2 70.5(2) . . ?
C33 C34 Fe2 69.1(2) . . ?
C35 C34 H34A 125.7 . . ?
C33 C34 H34A 125.7 . . ?
Fe2 C34 H34A 125.7 . . ?
C34 C35 C36 108.1(3) . . ?
C34 C35 Fe2 69.1(2) . . ?
C36 C35 Fe2 69.4(2) . . ?
C34 C35 H35A 125.9 . . ?
C36 C35 H35A 125.9 . . ?
Fe2 C35 H35A 125.9 . . ?
C35 C36 C32 107.8(3) . . ?
C35 C36 Fe2 70.1(2) . . ?
C32 C36 Fe2 69.1(2) . . ?
C35 C36 H36A 126.1 . . ?
C32 C36 H36A 126.1 . . ?
Fe2 C36 H36A 126.1 . . ?
C41 C37 C38 107.5(3) . . ?
C41 C37 C10 125.6(3) . . ?
C38 C37 C10 126.8(3) . . ?
C41 C37 Fe3 70.04(19) . . ?
C38 C37 Fe3 69.4(2) . . ?
C10 C37 Fe3 127.5(2) . . ?
C37 C38 C39 108.0(3) . . ?
C37 C38 Fe3 69.83(19) . . ?
C39 C38 Fe3 69.6(2) . . ?
C37 C38 H38A 126.0 . . ?
C39 C38 H38A 126.0 . . ?
Fe3 C38 H38A 126.0 . . ?
C40 C39 C38 108.0(3) . . ?
C40 C39 Fe3 70.0(2) . . ?
C38 C39 Fe3 69.32(19) . . ?
C40 C39 H39A 126.0 . . ?
C38 C39 H39A 126.0 . . ?
Fe3 C39 H39A 126.0 . . ?
C39 C40 C41 107.7(3) . . ?
C39 C40 Fe3 69.4(2) . . ?
C41 C40 Fe3 69.81(19) . . ?
C39 C40 H40A 126.1 . . ?
C41 C40 H40A 126.1 . . ?
Fe3 C40 H40A 126.1 . . ?
C37 C41 C40 108.7(3) . . ?
C37 C41 Fe3 69.43(19) . . ?
C40 C41 Fe3 69.6(2) . . ?
C37 C41 H41A 125.6 . . ?
C40 C41 H41A 125.6 . . ?
Fe3 C41 H41A 125.6 . . ?
C43 C42 C46 108.5(3) . . ?
C43 C42 Fe3 69.9(2) . . ?
C46 C42 Fe3 69.9(2) . . ?
C43 C42 H42A 125.7 . . ?
C46 C42 H42A 125.7 . . ?
Fe3 C42 H42A 125.7 . . ?
C42 C43 C44 107.8(3) . . ?
C42 C43 Fe3 69.9(2) . . ?
C44 C43 Fe3 69.6(2) . . ?
C42 C43 H43A 126.1 . . ?
C44 C43 H43A 126.1 . . ?
Fe3 C43 H43A 126.1 . . ?
C45 C44 C43 107.6(3) . . ?
C45 C44 Fe3 69.5(2) . . ?
C43 C44 Fe3 69.6(2) . . ?
C45 C44 H44A 126.2 . . ?
C43 C44 H44A 126.2 . . ?
Fe3 C44 H44A 126.2 . . ?
C46 C45 C44 108.4(3) . . ?
C46 C45 Fe3 70.2(2) . . ?
C44 C45 Fe3 69.9(2) . . ?
C46 C45 H45A 125.8 . . ?
C44 C45 H45A 125.8 . . ?
Fe3 C45 H45A 125.8 . . ?
C45 C46 C42 107.7(3) . . ?
C45 C46 Fe3 69.5(2) . . ?
C42 C46 Fe3 69.6(2) . . ?
C45 C46 H46A 126.1 . . ?
C42 C46 H46A 126.1 . . ?
Fe3 C46 H46A 126.1 . . ?
C51 C47 C48 107.4(3) . . ?
C51 C47 C12 126.1(3) . . ?
C48 C47 C12 126.5(3) . . ?
C51 C47 Fe4 69.5(2) . . ?
C48 C47 Fe4 69.36(19) . . ?
C12 C47 Fe4 127.1(2) . . ?
C49 C48 C47 108.1(3) . . ?
C49 C48 Fe4 69.7(2) . . ?
C47 C48 Fe4 69.8(2) . . ?
C49 C48 H48A 125.9 . . ?
C47 C48 H48A 125.9 . . ?
Fe4 C48 H48A 125.9 . . ?
C50 C49 C48 108.2(3) . . ?
C50 C49 Fe4 70.0(2) . . ?
C48 C49 Fe4 69.6(2) . . ?
C50 C49 H49A 125.9 . . ?
C48 C49 H49A 125.9 . . ?
Fe4 C49 H49A 125.9 . . ?
C49 C50 C51 107.9(3) . . ?
C49 C50 Fe4 69.5(2) . . ?
C51 C50 Fe4 69.5(2) . . ?
C49 C50 H50A 126.0 . . ?
C51 C50 H50A 126.0 . . ?
Fe4 C50 H50A 126.0 . . ?
C50 C51 C47 108.4(3) . . ?
C50 C51 Fe4 69.9(2) . . ?
C47 C51 Fe4 69.8(2) . . ?
C50 C51 H51A 125.8 . . ?
C47 C51 H51A 125.8 . . ?
Fe4 C51 H51A 125.8 . . ?
C53 C52 C56 107.8(3) . . ?
C53 C52 Fe4 70.0(2) . . ?
C56 C52 Fe4 70.0(2) . . ?
C53 C52 H52A 126.1 . . ?
C56 C52 H52A 126.1 . . ?
Fe4 C52 H52A 126.1 . . ?
C54 C53 C52 107.4(3) . . ?
C54 C53 Fe4 69.7(2) . . ?
C52 C53 Fe4 69.0(2) . . ?
C54 C53 H53A 126.3 . . ?
C52 C53 H53A 126.3 . . ?
Fe4 C53 H53A 126.3 . . ?
C55 C54 C53 108.7(3) . . ?
C55 C54 Fe4 70.2(2) . . ?
C53 C54 Fe4 69.5(2) . . ?
C55 C54 H54A 125.7 . . ?
C53 C54 H54A 125.7 . . ?
Fe4 C54 H54A 125.7 . . ?
C56 C55 C54 107.9(3) . . ?
C56 C55 Fe4 69.3(2) . . ?
C54 C55 Fe4 69.4(2) . . ?
C56 C55 H55A 126.1 . . ?
C54 C55 H55A 126.1 . . ?
Fe4 C55 H55A 126.1 . . ?
C55 C56 C52 108.2(3) . . ?
C55 C56 Fe4 70.3(2) . . ?
C52 C56 Fe4 68.9(2) . . ?
C55 C56 H56A 125.9 . . ?
C52 C56 H56A 125.9 . . ?
Fe4 C56 H56A 125.9 . . ?
C61 C57 C58 107.8(4) . . ?
C61 C57 C14 125.9(4) . . ?
C58 C57 C14 126.3(4) . . ?
C61 C57 Fe5 70.0(2) . . ?
C58 C57 Fe5 69.7(2) . . ?
C14 C57 Fe5 125.2(3) . . ?
C59 C58 C57 108.0(4) . . ?
C59 C58 Fe5 69.4(2) . . ?
C57 C58 Fe5 69.5(2) . . ?
C59 C58 H58A 126.0 . . ?
C57 C58 H58A 126.0 . . ?
Fe5 C58 H58A 126.0 . . ?
C60 C59 C58 108.0(4) . . ?
C60 C59 Fe5 69.7(3) . . ?
C58 C59 Fe5 70.1(2) . . ?
C60 C59 H59A 126.0 . . ?
C58 C59 H59A 126.0 . . ?
Fe5 C59 H59A 126.0 . . ?
C59 C60 C61 108.4(4) . . ?
C59 C60 Fe5 69.8(2) . . ?
C61 C60 Fe5 70.2(2) . . ?
C59 C60 H60A 125.8 . . ?
C61 C60 H60A 125.8 . . ?
Fe5 C60 H60A 125.8 . . ?
C57 C61 C60 107.8(4) . . ?
C57 C61 Fe5 69.5(2) . . ?
C60 C61 Fe5 69.1(2) . . ?
C57 C61 H61A 126.1 . . ?
C60 C61 H61A 126.1 . . ?
Fe5 C61 H61A 126.1 . . ?
C63 C62 C66 108.0 . . ?
C63 C62 Fe5 68.30(17) . . ?
C66 C62 Fe5 70.49(17) . . ?
C63 C62 H62A 126.0 . . ?
C66 C62 H62A 126.0 . . ?
Fe5 C62 H62A 126.0 . . ?
C64 C63 C62 108.0 . . ?
C64 C63 Fe5 69.10(18) . . ?
C62 C63 Fe5 71.16(17) . . ?
C64 C63 H63A 126.0 . . ?
C62 C63 H63A 126.0 . . ?
Fe5 C63 H63A 126.0 . . ?
C63 C64 C65 108.0 . . ?
C63 C64 Fe5 69.8(2) . . ?
C65 C64 Fe5 70.80(17) . . ?
C63 C64 H64A 126.0 . . ?
C65 C64 H64A 126.0 . . ?
Fe5 C64 H64A 126.0 . . ?
C66 C65 C64 108.0 . . ?
C66 C65 Fe5 71.01(18) . . ?
C64 C65 Fe5 68.39(18) . . ?
C66 C65 H65A 126.0 . . ?
C64 C65 H65A 126.0 . . ?
Fe5 C65 H65A 126.0 . . ?
C65 C66 C62 108.0 . . ?
C65 C66 Fe5 68.81(17) . . ?
C62 C66 Fe5 69.5(2) . . ?
C65 C66 H66A 126.0 . . ?
C62 C66 H66A 126.0 . . ?
Fe5 C66 H66A 126.0 . . ?
C63A C62A C66A 108.0 . . ?
C63A C62A Fe5 69.5(6) . . ?
C66A C62A Fe5 67.9(5) . . ?
C63A C62A H62B 126.0 . . ?
C66A C62A H62B 126.0 . . ?
Fe5 C62A H62B 126.0 . . ?
C62A C63A C64A 108.0 . . ?
C62A C63A Fe5 70.4(7) . . ?
C64A C63A Fe5 67.5(6) . . ?
C62A C63A H63B 126.0 . . ?
C64A C63A H63B 126.0 . . ?
Fe5 C63A H63B 126.0 . . ?
C65A C64A C63A 108.0 . . ?
C65A C64A Fe5 68.3(6) . . ?
C63A C64A Fe5 71.8(6) . . ?
C65A C64A H64B 126.0 . . ?
C63A C64A H64B 126.0 . . ?
Fe5 C64A H64B 126.0 . . ?
C66A C65A C64A 108.0 . . ?
C66A C65A Fe5 70.9(7) . . ?
C64A C65A Fe5 70.1(6) . . ?
C66A C65A H65B 126.0 . . ?
C64A C65A H65B 126.0 . . ?
Fe5 C65A H65B 126.0 . . ?
C65A C66A C62A 108.0 . . ?
C65A C66A Fe5 67.7(6) . . ?
C62A C66A Fe5 71.7(5) . . ?
C65A C66A H66B 126.0 . . ?
C62A C66A H66B 126.0 . . ?
Fe5 C66A H66B 126.0 . . ?
C68 C67 C71 107.1(3) . . ?
C68 C67 C16 124.9(3) . . ?
C71 C67 C16 127.7(3) . . ?
C68 C67 Fe6 69.2(2) . . ?
C71 C67 Fe6 69.3(2) . . ?
C16 C67 Fe6 131.5(3) . . ?
C67 C68 C69 107.9(3) . . ?
C67 C68 Fe6 70.1(2) . . ?
C69 C68 Fe6 69.1(2) . . ?
C67 C68 H68A 126.0 . . ?
C69 C68 H68A 126.0 . . ?
Fe6 C68 H68A 126.0 . . ?
C70 C69 C68 108.2(3) . . ?
C70 C69 Fe6 70.1(2) . . ?
C68 C69 Fe6 69.8(2) . . ?
C70 C69 H69A 125.9 . . ?
C68 C69 H69A 125.9 . . ?
Fe6 C69 H69A 125.9 . . ?
C71 C70 C69 108.1(3) . . ?
C71 C70 Fe6 70.0(2) . . ?
C69 C70 Fe6 69.2(2) . . ?
C71 C70 H70A 125.9 . . ?
C69 C70 H70A 125.9 . . ?
Fe6 C70 H70A 125.9 . . ?
C70 C71 C67 108.7(3) . . ?
C70 C71 Fe6 69.7(2) . . ?
C67 C71 Fe6 69.7(2) . . ?
C70 C71 H71A 125.6 . . ?
C67 C71 H71A 125.6 . . ?
Fe6 C71 H71A 125.6 . . ?
C73 C72 C76 107.3(4) . . ?
C73 C72 Fe6 69.9(2) . . ?
C76 C72 Fe6 69.3(2) . . ?
C73 C72 H72A 126.3 . . ?
C76 C72 H72A 126.3 . . ?
Fe6 C72 H72A 126.3 . . ?
C72 C73 C74 108.8(4) . . ?
C72 C73 Fe6 69.9(2) . . ?
C74 C73 Fe6 69.7(2) . . ?
C72 C73 H73A 125.6 . . ?
C74 C73 H73A 125.6 . . ?
Fe6 C73 H73A 125.6 . . ?
C75 C74 C73 107.6(4) . . ?
C75 C74 Fe6 69.8(2) . . ?
C73 C74 Fe6 69.7(2) . . ?
C75 C74 H74A 126.2 . . ?
C73 C74 H74A 126.2 . . ?
Fe6 C74 H74A 126.2 . . ?
C74 C75 C76 108.2(4) . . ?
C74 C75 Fe6 69.8(2) . . ?
C76 C75 Fe6 69.5(2) . . ?
C74 C75 H75A 125.9 . . ?
C76 C75 H75A 125.9 . . ?
Fe6 C75 H75A 125.9 . . ?
C75 C76 C72 108.0(4) . . ?
C75 C76 Fe6 70.0(2) . . ?
C72 C76 Fe6 69.7(2) . . ?
C75 C76 H76A 126.0 . . ?
C72 C76 H76A 126.0 . . ?
Fe6 C76 H76A 126.0 . . ?
C1S O1S C4S 105.1(3) . . ?
O1S C1S C2S 106.2(4) . . ?
O1S C1S H1SA 110.5 . . ?
C2S C1S H1SA 110.5 . . ?
O1S C1S H1SB 110.5 . . ?
C2S C1S H1SB 110.5 . . ?
H1SA C1S H1SB 108.7 . . ?
C1S C2S C3S 104.0(4) . . ?
C1S C2S H2SA 111.0 . . ?
C3S C2S H2SA 111.0 . . ?
C1S C2S H2SB 111.0 . . ?
C3S C2S H2SB 111.0 . . ?
H2SA C2S H2SB 109.0 . . ?
C4S C3S C2S 103.3(4) . . ?
C4S C3S H3SA 111.1 . . ?
C2S C3S H3SA 111.1 . . ?
C4S C3S H3SB 111.1 . . ?
C2S C3S H3SB 111.1 . . ?
H3SA C3S H3SB 109.1 . . ?
O1S C4S C3S 105.6(4) . . ?
O1S C4S H4SA 110.6 . . ?
C3S C4S H4SA 110.6 . . ?
O1S C4S H4SB 110.6 . . ?
C3S C4S H4SB 110.6 . . ?
H4SA C4S H4SB 108.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cu1 O1 C1 O3 -12.8(5) . . . . ?
Cu1 O1 C1 C2 168.3(2) . . . . ?
Cu2 O3 C1 O1 -2.4(5) . . . . ?
Cu2 O3 C1 C2 176.5(2) . . . . ?
Cu2 O4 C3 O2 -4.9(5) . . . . ?
Cu2 O4 C3 C4 176.3(2) . . . . ?
Cu1 O2 C3 O4 -26.4(5) . . . . ?
Cu1 O2 C3 O4 -173.4(2) 2_665 . . . ?
Cu1 O2 C3 C4 152.4(2) . . . . ?
Cu1 O2 C3 C4 5.4(5) 2_665 . . . ?
C9 P1 C5 C6 -52.5(3) . . . . ?
C7 P1 C5 C6 52.4(3) . . . . ?
Cu1 P1 C5 C6 179.0(3) . . . . ?
P1 C5 C6 C17 167.0(3) . . . . ?
C5 P1 C7 C8 53.2(3) . . . . ?
C9 P1 C7 C8 160.4(3) . . . . ?
Cu1 P1 C7 C8 -71.9(3) . . . . ?
P1 C7 C8 C27 178.2(2) . . . . ?
C5 P1 C9 C10 165.0(2) . . . . ?
C7 P1 C9 C10 55.1(3) . . . . ?
Cu1 P1 C9 C10 -70.2(3) . . . . ?
P1 C9 C10 C37 177.7(2) . . . . ?
C15 P2 C11 C12 175.4(2) . . . . ?
C13 P2 C11 C12 -79.1(3) . . . . ?
Cu2 P2 C11 C12 40.3(3) . . . . ?
P2 C11 C12 C47 171.7(2) . . . . ?
C15 P2 C13 C14 -75.0(3) . . . . ?
C11 P2 C13 C14 177.2(3) . . . . ?
Cu2 P2 C13 C14 60.7(3) . . . . ?
P2 C13 C14 C57 -175.8(3) . . . . ?
C11 P2 C15 C16 -58.4(3) . . . . ?
C13 P2 C15 C16 -163.2(3) . . . . ?
Cu2 P2 C15 C16 67.9(3) . . . . ?
P2 C15 C16 C67 -167.1(2) . . . . ?
C5 C6 C17 C21 75.8(5) . . . . ?
C5 C6 C17 C18 -100.1(5) . . . . ?
C5 C6 C17 Fe1 167.6(3) . . . . ?
C21 C17 C18 C19 0.7(5) . . . . ?
C6 C17 C18 C19 177.2(4) . . . . ?
Fe1 C17 C18 C19 -59.3(3) . . . . ?
C21 C17 C18 Fe1 60.0(3) . . . . ?
C6 C17 C18 Fe1 -123.4(4) . . . . ?
C17 C18 C19 C20 -0.6(5) . . . . ?
Fe1 C18 C19 C20 -59.6(3) . . . . ?
C17 C18 C19 Fe1 59.0(3) . . . . ?
C18 C19 C20 C21 0.2(5) . . . . ?
Fe1 C19 C20 C21 -59.0(3) . . . . ?
C18 C19 C20 Fe1 59.2(3) . . . . ?
C18 C17 C21 C20 -0.6(4) . . . . ?
C6 C17 C21 C20 -177.2(3) . . . . ?
Fe1 C17 C21 C20 59.2(3) . . . . ?
C18 C17 C21 Fe1 -59.8(3) . . . . ?
C6 C17 C21 Fe1 123.7(4) . . . . ?
C19 C20 C21 C17 0.2(5) . . . . ?
Fe1 C20 C21 C17 -58.9(3) . . . . ?
C19 C20 C21 Fe1 59.1(3) . . . . ?
C26 C22 C23 C24 -0.5(5) . . . . ?
Fe1 C22 C23 C24 58.9(3) . . . . ?
C26 C22 C23 Fe1 -59.5(3) . . . . ?
C22 C23 C24 C25 0.6(5) . . . . ?
Fe1 C23 C24 C25 59.2(3) . . . . ?
C22 C23 C24 Fe1 -58.6(3) . . . . ?
C23 C24 C25 C26 -0.4(5) . . . . ?
Fe1 C24 C25 C26 59.0(3) . . . . ?
C23 C24 C25 Fe1 -59.4(3) . . . . ?
C23 C22 C26 C25 0.3(5) . . . . ?
Fe1 C22 C26 C25 -59.8(3) . . . . ?
C23 C22 C26 Fe1 60.1(3) . . . . ?
C24 C25 C26 C22 0.0(5) . . . . ?
Fe1 C25 C26 C22 59.6(3) . . . . ?
C24 C25 C26 Fe1 -59.6(3) . . . . ?
C7 C8 C27 C31 -72.9(4) . . . . ?
C7 C8 C27 C28 103.8(4) . . . . ?
C7 C8 C27 Fe2 -164.0(2) . . . . ?
C31 C27 C28 C29 -0.4(4) . . . . ?
C8 C27 C28 C29 -177.6(3) . . . . ?
Fe2 C27 C28 C29 58.8(2) . . . . ?
C31 C27 C28 Fe2 -59.2(2) . . . . ?
C8 C27 C28 Fe2 123.6(3) . . . . ?
C27 C28 C29 C30 0.2(4) . . . . ?
Fe2 C28 C29 C30 59.1(3) . . . . ?
C27 C28 C29 Fe2 -58.9(2) . . . . ?
C28 C29 C30 C31 0.0(4) . . . . ?
Fe2 C29 C30 C31 59.4(3) . . . . ?
C28 C29 C30 Fe2 -59.3(3) . . . . ?
C28 C27 C31 C30 0.4(4) . . . . ?
C8 C27 C31 C30 177.6(3) . . . . ?
Fe2 C27 C31 C30 -59.0(2) . . . . ?
C28 C27 C31 Fe2 59.5(2) . . . . ?
C8 C27 C31 Fe2 -123.3(3) . . . . ?
C29 C30 C31 C27 -0.3(4) . . . . ?
Fe2 C30 C31 C27 59.4(2) . . . . ?
C29 C30 C31 Fe2 -59.7(3) . . . . ?
C36 C32 C33 C34 -0.6(4) . . . . ?
Fe2 C32 C33 C34 -59.7(2) . . . . ?
C36 C32 C33 Fe2 59.2(2) . . . . ?
C32 C33 C34 C35 0.2(4) . . . . ?
Fe2 C33 C34 C35 -59.7(3) . . . . ?
C32 C33 C34 Fe2 59.9(3) . . . . ?
C33 C34 C35 C36 0.3(4) . . . . ?
Fe2 C34 C35 C36 -58.6(3) . . . . ?
C33 C34 C35 Fe2 58.9(3) . . . . ?
C34 C35 C36 C32 -0.6(4) . . . . ?
Fe2 C35 C36 C32 -59.0(2) . . . . ?
C34 C35 C36 Fe2 58.4(3) . . . . ?
C33 C32 C36 C35 0.7(4) . . . . ?
Fe2 C32 C36 C35 59.6(2) . . . . ?
C33 C32 C36 Fe2 -58.9(3) . . . . ?
C9 C10 C37 C41 93.5(4) . . . . ?
C9 C10 C37 C38 -84.3(4) . . . . ?
C9 C10 C37 Fe3 -175.4(2) . . . . ?
C41 C37 C38 C39 0.6(4) . . . . ?
C10 C37 C38 C39 178.6(3) . . . . ?
Fe3 C37 C38 C39 -59.4(2) . . . . ?
C41 C37 C38 Fe3 59.9(2) . . . . ?
C10 C37 C38 Fe3 -122.0(3) . . . . ?
C37 C38 C39 C40 -0.1(4) . . . . ?
Fe3 C38 C39 C40 -59.6(2) . . . . ?
C37 C38 C39 Fe3 59.5(2) . . . . ?
C38 C39 C40 C41 -0.4(4) . . . . ?
Fe3 C39 C40 C41 -59.6(2) . . . . ?
C38 C39 C40 Fe3 59.1(2) . . . . ?
C38 C37 C41 C40 -0.8(4) . . . . ?
C10 C37 C41 C40 -178.9(3) . . . . ?
Fe3 C37 C41 C40 58.7(2) . . . . ?
C38 C37 C41 Fe3 -59.5(2) . . . . ?
C10 C37 C41 Fe3 122.4(3) . . . . ?
C39 C40 C41 C37 0.8(4) . . . . ?
Fe3 C40 C41 C37 -58.5(2) . . . . ?
C39 C40 C41 Fe3 59.3(2) . . . . ?
C46 C42 C43 C44 -0.2(4) . . . . ?
Fe3 C42 C43 C44 -59.5(3) . . . . ?
C46 C42 C43 Fe3 59.4(3) . . . . ?
C42 C43 C44 C45 0.3(4) . . . . ?
Fe3 C43 C44 C45 -59.4(3) . . . . ?
C42 C43 C44 Fe3 59.7(3) . . . . ?
C43 C44 C45 C46 -0.4(4) . . . . ?
Fe3 C44 C45 C46 -59.8(3) . . . . ?
C43 C44 C45 Fe3 59.5(3) . . . . ?
C44 C45 C46 C42 0.3(4) . . . . ?
Fe3 C45 C46 C42 -59.4(3) . . . . ?
C44 C45 C46 Fe3 59.7(3) . . . . ?
C43 C42 C46 C45 -0.1(4) . . . . ?
Fe3 C42 C46 C45 59.3(3) . . . . ?
C43 C42 C46 Fe3 -59.4(3) . . . . ?
C11 C12 C47 C51 -153.7(3) . . . . ?
C11 C12 C47 C48 27.4(5) . . . . ?
C11 C12 C47 Fe4 -63.2(4) . . . . ?
C51 C47 C48 C49 0.0(4) . . . . ?
C12 C47 C48 C49 179.1(3) . . . . ?
Fe4 C47 C48 C49 -59.4(2) . . . . ?
C51 C47 C48 Fe4 59.4(2) . . . . ?
C12 C47 C48 Fe4 -121.5(3) . . . . ?
C47 C48 C49 C50 -0.1(4) . . . . ?
Fe4 C48 C49 C50 -59.6(2) . . . . ?
C47 C48 C49 Fe4 59.4(2) . . . . ?
C48 C49 C50 C51 0.2(4) . . . . ?
Fe4 C49 C50 C51 -59.1(2) . . . . ?
C48 C49 C50 Fe4 59.3(2) . . . . ?
C49 C50 C51 C47 -0.2(4) . . . . ?
Fe4 C50 C51 C47 -59.3(2) . . . . ?
C49 C50 C51 Fe4 59.1(2) . . . . ?
C48 C47 C51 C50 0.2(4) . . . . ?
C12 C47 C51 C50 -179.0(3) . . . . ?
Fe4 C47 C51 C50 59.4(2) . . . . ?
C48 C47 C51 Fe4 -59.3(2) . . . . ?
C12 C47 C51 Fe4 121.6(3) . . . . ?
C56 C52 C53 C54 0.7(4) . . . . ?
Fe4 C52 C53 C54 -59.3(2) . . . . ?
C56 C52 C53 Fe4 60.0(2) . . . . ?
C52 C53 C54 C55 -0.6(4) . . . . ?
Fe4 C53 C54 C55 -59.4(3) . . . . ?
C52 C53 C54 Fe4 58.9(2) . . . . ?
C53 C54 C55 C56 0.2(4) . . . . ?
Fe4 C54 C55 C56 -58.8(2) . . . . ?
C53 C54 C55 Fe4 59.0(2) . . . . ?
C54 C55 C56 C52 0.2(4) . . . . ?
Fe4 C55 C56 C52 -58.6(2) . . . . ?
C54 C55 C56 Fe4 58.8(2) . . . . ?
C53 C52 C56 C55 -0.6(4) . . . . ?
Fe4 C52 C56 C55 59.5(2) . . . . ?
C53 C52 C56 Fe4 -60.1(2) . . . . ?
C13 C14 C57 C61 -111.3(4) . . . . ?
C13 C14 C57 C58 69.5(5) . . . . ?
C13 C14 C57 Fe5 159.0(3) . . . . ?
C61 C57 C58 C59 -1.0(5) . . . . ?
C14 C57 C58 C59 178.3(4) . . . . ?
Fe5 C57 C58 C59 58.9(3) . . . . ?
C61 C57 C58 Fe5 -59.9(3) . . . . ?
C14 C57 C58 Fe5 119.4(4) . . . . ?
C57 C58 C59 C60 0.6(5) . . . . ?
Fe5 C58 C59 C60 59.6(3) . . . . ?
C57 C58 C59 Fe5 -59.0(3) . . . . ?
C58 C59 C60 C61 0.0(5) . . . . ?
Fe5 C59 C60 C61 59.9(3) . . . . ?
C58 C59 C60 Fe5 -59.9(3) . . . . ?
C58 C57 C61 C60 1.1(5) . . . . ?
C14 C57 C61 C60 -178.3(4) . . . . ?
Fe5 C57 C61 C60 -58.7(3) . . . . ?
C58 C57 C61 Fe5 59.7(3) . . . . ?
C14 C57 C61 Fe5 -119.6(4) . . . . ?
C59 C60 C61 C57 -0.7(5) . . . . ?
Fe5 C60 C61 C57 59.0(3) . . . . ?
C59 C60 C61 Fe5 -59.6(3) . . . . ?
C66 C62 C63 C64 0.0 . . . . ?
Fe5 C62 C63 C64 59.52(17) . . . . ?
C66 C62 C63 Fe5 -59.52(17) . . . . ?
C62 C63 C64 C65 0.0 . . . . ?
Fe5 C63 C64 C65 60.82(16) . . . . ?
C62 C63 C64 Fe5 -60.82(16) . . . . ?
C63 C64 C65 C66 0.0 . . . . ?
Fe5 C64 C65 C66 60.2(2) . . . . ?
C63 C64 C65 Fe5 -60.2(2) . . . . ?
C64 C65 C66 C62 0.0 . . . . ?
Fe5 C65 C66 C62 58.57(19) . . . . ?
C64 C65 C66 Fe5 -58.57(19) . . . . ?
C63 C62 C66 C65 0.0 . . . . ?
Fe5 C62 C66 C65 -58.16(16) . . . . ?
C63 C62 C66 Fe5 58.16(17) . . . . ?
C66A C62A C63A C64A 0.0 . . . . ?
Fe5 C62A C63A C64A 57.1(5) . . . . ?
C66A C62A C63A Fe5 -57.1(5) . . . . ?
C62A C63A C64A C65A 0.0 . . . . ?
Fe5 C63A C64A C65A 58.9(6) . . . . ?
C62A C63A C64A Fe5 -58.9(6) . . . . ?
C63A C64A C65A C66A 0.0 . . . . ?
Fe5 C64A C65A C66A 61.1(7) . . . . ?
C63A C64A C65A Fe5 -61.1(7) . . . . ?
C64A C65A C66A C62A 0.0 . . . . ?
Fe5 C65A C66A C62A 60.6(5) . . . . ?
C64A C65A C66A Fe5 -60.6(5) . . . . ?
C63A C62A C66A C65A 0.0 . . . . ?
Fe5 C62A C66A C65A -58.1(6) . . . . ?
C63A C62A C66A Fe5 58.1(6) . . . . ?
C15 C16 C67 C68 -66.6(4) . . . . ?
C15 C16 C67 C71 106.2(4) . . . . ?
C15 C16 C67 Fe6 -158.8(3) . . . . ?
C71 C67 C68 C69 0.2(4) . . . . ?
C16 C67 C68 C69 174.3(3) . . . . ?
Fe6 C67 C68 C69 -58.9(3) . . . . ?
C71 C67 C68 Fe6 59.1(2) . . . . ?
C16 C67 C68 Fe6 -126.8(3) . . . . ?
C67 C68 C69 C70 -0.3(4) . . . . ?
Fe6 C68 C69 C70 -59.8(3) . . . . ?
C67 C68 C69 Fe6 59.5(3) . . . . ?
C68 C69 C70 C71 0.3(4) . . . . ?
Fe6 C69 C70 C71 -59.4(3) . . . . ?
C68 C69 C70 Fe6 59.7(3) . . . . ?
C69 C70 C71 C67 -0.1(4) . . . . ?
Fe6 C70 C71 C67 -59.0(3) . . . . ?
C69 C70 C71 Fe6 58.9(3) . . . . ?
C68 C67 C71 C70 -0.1(4) . . . . ?
C16 C67 C71 C70 -173.9(3) . . . . ?
Fe6 C67 C71 C70 59.0(3) . . . . ?
C68 C67 C71 Fe6 -59.1(2) . . . . ?
C16 C67 C71 Fe6 127.1(4) . . . . ?
C76 C72 C73 C74 -0.4(4) . . . . ?
Fe6 C72 C73 C74 59.0(3) . . . . ?
C76 C72 C73 Fe6 -59.4(3) . . . . ?
C72 C73 C74 C75 0.6(4) . . . . ?
Fe6 C73 C74 C75 59.8(3) . . . . ?
C72 C73 C74 Fe6 -59.2(3) . . . . ?
C73 C74 C75 C76 -0.6(4) . . . . ?
Fe6 C74 C75 C76 59.0(3) . . . . ?
C73 C74 C75 Fe6 -59.6(3) . . . . ?
C74 C75 C76 C72 0.4(4) . . . . ?
Fe6 C75 C76 C72 59.6(3) . . . . ?
C74 C75 C76 Fe6 -59.2(3) . . . . ?
C73 C72 C76 C75 0.0(4) . . . . ?
Fe6 C72 C76 C75 -59.8(3) . . . . ?
C73 C72 C76 Fe6 59.8(3) . . . . ?
C4S O1S C1S C2S -36.9(4) . . . . ?
O1S C1S C2S C3S 18.5(5) . . . . ?
C1S C2S C3S C4S 5.3(5) . . . . ?
C1S O1S C4S C3S 40.6(4) . . . . ?
C2S C3S C4S O1S -27.5(4) . . . . ?

_refine_diff_density_max         0.802
_refine_diff_density_min         -0.861
_refine_diff_density_rms         0.162

_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Bruker Apex2'
_diffrn_measurement_device       'κ-geometry diffractometer'



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_b15188
_database_code_depnum_ccdc_archive 'CCDC 1429840'
_audit_update_record             
;
2015-10-06 deposited with the CCDC.
2016-01-06 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H60 Ag2 Cl2 Fe4 P4'
_chemical_formula_weight         1270.88
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   21.644(15)
_cell_length_b                   7.795(5)
_cell_length_c                   14.445(10)
_cell_angle_alpha                90
_cell_angle_beta                 96.234(11)
_cell_angle_gamma                90
_cell_volume                     2423(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    110
_cell_measurement_reflns_used    9885
_cell_measurement_theta_min      2.84
_cell_measurement_theta_max      28.70
_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.742
_exptl_crystal_F_000             1280
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.339
_exptl_crystal_size_mid          0.085
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    2.234
_shelx_estimated_absorpt_T_min   0.518
_shelx_estimated_absorpt_T_max   0.957
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6415
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      110
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            31193
_diffrn_reflns_av_unetI/netI     0.0739
_diffrn_reflns_av_R_equivalents  0.0641
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.893
_diffrn_reflns_theta_max         28.782
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             6180
_reflns_number_gt                4015
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       Apex2
_computing_cell_refinement       SAINT
_computing_data_reduction        SAINT
_computing_structure_solution    SHELXT
_computing_structure_refinement  SHELXL-2014
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0158P)²+9.6992P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6180
_refine_ls_number_parameters     271
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0931
_refine_ls_R_factor_gt           0.0438
_refine_ls_wR_factor_ref         0.0912
_refine_ls_wR_factor_gt          0.0713
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.44875(2) 0.34350(5) 0.02986(3) 0.02824(11) Uani 1 1 d . . . . .
Fe1 Fe 0.07582(3) 0.31092(8) -0.10739(4) 0.01691(15) Uani 1 1 d . . . . .
Fe2 Fe 0.73883(3) 0.27494(8) 0.31742(4) 0.01699(15) Uani 1 1 d . . . . .
Cl1 Cl 0.44792(5) 0.67318(16) 0.05278(8) 0.0274(3) Uani 1 1 d . . . . .
P1 P 0.35322(5) 0.27370(18) -0.07072(9) 0.0247(3) Uani 1 1 d . . . . .
H11B H 0.3563 0.3237 -0.1331 0.030 Uiso 1 1 calc R U . . .
H11C H 0.3508 0.1475 -0.0782 0.030 Uiso 1 1 calc R U . . .
P2 P 0.47729(6) 0.15056(18) 0.16093(9) 0.0274(3) Uani 1 1 d . . . . .
H22B H 0.4681 0.2080 0.2190 0.033 Uiso 1 1 calc R U . . .
H22C H 0.4510 0.0466 0.1530 0.033 Uiso 1 1 calc R U . . .
C1 C 0.28145(18) 0.3485(6) -0.0293(3) 0.0174(9) Uani 1 1 d . . . . .
H1A H 0.2819 0.3167 0.0371 0.021 Uiso 1 1 calc R U . . .
H1B H 0.2802 0.4753 -0.0331 0.021 Uiso 1 1 calc R U . . .
C2 C 0.22249(19) 0.2772(6) -0.0828(3) 0.0228(10) Uani 1 1 d . . . . .
H2A H 0.2261 0.2846 -0.1505 0.027 Uiso 1 1 calc R U . . .
H2B H 0.2181 0.1546 -0.0668 0.027 Uiso 1 1 calc R U . . .
C3 C 0.5593(2) 0.0849(6) 0.1739(4) 0.0275(11) Uani 1 1 d . . . . .
H3A H 0.5649 -0.0134 0.2174 0.033 Uiso 1 1 calc R U . . .
H3B H 0.5710 0.0468 0.1128 0.033 Uiso 1 1 calc R U . . .
C4 C 0.6022(2) 0.2316(6) 0.2108(3) 0.0222(10) Uani 1 1 d . . . . .
H4A H 0.5993 0.3264 0.1649 0.027 Uiso 1 1 calc R U . . .
H4B H 0.5886 0.2759 0.2695 0.027 Uiso 1 1 calc R U . . .
C5 C 0.16533(19) 0.3729(6) -0.0614(3) 0.0194(10) Uani 1 1 d . . . . .
C6 C 0.13082(19) 0.3422(6) 0.0153(3) 0.0210(10) Uani 1 1 d . . . . .
H6A H 0.1402 0.2520 0.0641 0.025 Uiso 1 1 calc R U . . .
C7 C 0.0804(2) 0.4593(6) 0.0106(3) 0.0253(11) Uani 1 1 d . . . . .
H7A H 0.0482 0.4664 0.0551 0.030 Uiso 1 1 calc R U . . .
C8 C 0.0836(2) 0.5636(6) -0.0692(3) 0.0260(11) Uani 1 1 d . . . . .
H8A H 0.0538 0.6570 -0.0908 0.031 Uiso 1 1 calc R U . . .
C9 C 0.1357(2) 0.5122(6) -0.1135(3) 0.0232(10) Uani 1 1 d . . . . .
H9A H 0.1492 0.5634 -0.1715 0.028 Uiso 1 1 calc R U . . .
C10 C -0.0096(2) 0.2595(6) -0.1789(3) 0.0255(11) Uani 1 1 d . . . . .
H10A H -0.0465 0.3375 -0.1843 0.031 Uiso 1 1 calc R U . . .
C11 C 0.0376(2) 0.2555(6) -0.2398(3) 0.0262(11) Uani 1 1 d . . . . .
H11A H 0.0396 0.3299 -0.2958 0.031 Uiso 1 1 calc R U . . .
C12 C 0.0816(2) 0.1293(6) -0.2074(3) 0.0269(11) Uani 1 1 d . . . . .
H12A H 0.1198 0.0979 -0.2368 0.032 Uiso 1 1 calc R U . . .
C13 C 0.0618(2) 0.0545(6) -0.1255(3) 0.0287(12) Uani 1 1 d . . . . .
H13A H 0.0835 -0.0391 -0.0873 0.034 Uiso 1 1 calc R U . . .
C14 C 0.0052(2) 0.1367(6) -0.1084(3) 0.0288(11) Uani 1 1 d . . . . .
H14A H -0.0196 0.1118 -0.0554 0.035 Uiso 1 1 calc R U . . .
C15 C 0.6681(2) 0.1723(6) 0.2280(3) 0.0186(9) Uani 1 1 d . . . . .
C16 C 0.6909(2) 0.0504(6) 0.2977(3) 0.0182(9) Uani 1 1 d . . . . .
H16A H 0.6660 -0.0055 0.3437 0.022 Uiso 1 1 calc R U . . .
C17 C 0.7546(2) 0.0228(6) 0.2906(3) 0.0226(10) Uani 1 1 d . . . . .
H17A H 0.7826 -0.0561 0.3304 0.027 Uiso 1 1 calc R U . . .
C18 C 0.7722(2) 0.1271(6) 0.2171(3) 0.0226(10) Uani 1 1 d . . . . .
H18A H 0.8146 0.1346 0.1959 0.027 Uiso 1 1 calc R U . . .
C19 C 0.7189(2) 0.2182(6) 0.1793(3) 0.0214(10) Uani 1 1 d . . . . .
H19A H 0.7174 0.3028 0.1271 0.026 Uiso 1 1 calc R U . . .
C20 C 0.7084(2) 0.5017(7) 0.3662(3) 0.0304(12) Uani 1 1 d . . . . .
H20A H 0.6695 0.5632 0.3417 0.036 Uiso 1 1 calc R U . . .
C21 C 0.7668(3) 0.5239(6) 0.3351(3) 0.0312(12) Uani 1 1 d . . . . .
H21A H 0.7769 0.6039 0.2848 0.037 Uiso 1 1 calc R U . . .
C22 C 0.8093(2) 0.4124(7) 0.3872(3) 0.0290(12) Uani 1 1 d . . . . .
H22A H 0.8546 0.4003 0.3803 0.035 Uiso 1 1 calc R U . . .
C23 C 0.7763(2) 0.3223(7) 0.4511(3) 0.0263(11) Uani 1 1 d . . . . .
H23A H 0.7939 0.2347 0.4972 0.032 Uiso 1 1 calc R U . . .
C24 C 0.7136(2) 0.3771(7) 0.4375(3) 0.0270(11) Uani 1 1 d . . . . .
H24A H 0.6791 0.3356 0.4726 0.032 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 P2 2.4442(18) . ?
Ag1 P1 2.4555(17) . ?
Ag1 Cl1 2.591(2) . ?
Ag1 Cl1 2.6503(18) 3_665 ?
Fe1 C13 2.034(5) . ?
Fe1 C12 2.036(5) . ?
Fe1 C5 2.037(4) . ?
Fe1 C6 2.040(4) . ?
Fe1 C9 2.043(5) . ?
Fe1 C14 2.044(5) . ?
Fe1 C11 2.046(5) . ?
Fe1 C8 2.048(5) . ?
Fe1 C7 2.053(5) . ?
Fe1 C10 2.058(5) . ?
Fe2 C24 2.036(5) . ?
Fe2 C20 2.038(5) . ?
Fe2 C16 2.038(4) . ?
Fe2 C17 2.039(5) . ?
Fe2 C22 2.039(5) . ?
Fe2 C21 2.041(5) . ?
Fe2 C19 2.043(4) . ?
Fe2 C18 2.044(4) . ?
Fe2 C23 2.044(4) . ?
Fe2 C15 2.055(4) . ?
Cl1 Ag1 2.6503(18) 3_665 ?
P1 C1 1.820(4) . ?
P1 H11B 0.9900 . ?
P1 H11C 0.9900 . ?
P2 C3 1.837(5) . ?
P2 H22B 0.9900 . ?
P2 H22C 0.9900 . ?
C1 C2 1.524(6) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C5 1.505(6) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.532(6) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C15 1.493(6) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.422(6) . ?
C5 C9 1.433(6) . ?
C6 C7 1.419(6) . ?
C6 H6A 1.0000 . ?
C7 C8 1.418(7) . ?
C7 H7A 1.0000 . ?
C8 C9 1.412(6) . ?
C8 H8A 1.0000 . ?
C9 H9A 1.0000 . ?
C10 C14 1.408(7) . ?
C10 C11 1.420(7) . ?
C10 H10A 1.0000 . ?
C11 C12 1.413(7) . ?
C11 H11A 1.0000 . ?
C12 C13 1.426(7) . ?
C12 H12A 1.0000 . ?
C13 C14 1.428(7) . ?
C13 H13A 1.0000 . ?
C14 H14A 1.0000 . ?
C15 C19 1.414(6) . ?
C15 C16 1.433(6) . ?
C16 C17 1.409(6) . ?
C16 H16A 1.0000 . ?
C17 C18 1.421(6) . ?
C17 H17A 1.0000 . ?
C18 C19 1.413(6) . ?
C18 H18A 1.0000 . ?
C19 H19A 1.0000 . ?
C20 C21 1.396(7) . ?
C20 C24 1.411(7) . ?
C20 H20A 1.0000 . ?
C21 C22 1.421(7) . ?
C21 H21A 1.0000 . ?
C22 C23 1.414(7) . ?
C22 H22A 1.0000 . ?
C23 C24 1.415(7) . ?
C23 H23A 1.0000 . ?
C24 H24A 1.0000 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Ag1 P1 116.60(5) . . ?
P2 Ag1 Cl1 121.06(5) . . ?
P1 Ag1 Cl1 106.16(4) . . ?
P2 Ag1 Cl1 99.44(5) . 3_665 ?
P1 Ag1 Cl1 114.85(6) . 3_665 ?
Cl1 Ag1 Cl1 97.13(4) . 3_665 ?
C13 Fe1 C12 41.0(2) . . ?
C13 Fe1 C5 113.45(19) . . ?
C12 Fe1 C5 105.47(18) . . ?
C13 Fe1 C6 107.1(2) . . ?
C12 Fe1 C6 128.65(19) . . ?
C5 Fe1 C6 40.84(17) . . ?
C13 Fe1 C9 146.7(2) . . ?
C12 Fe1 C9 114.6(2) . . ?
C5 Fe1 C9 41.12(18) . . ?
C6 Fe1 C9 68.44(19) . . ?
C13 Fe1 C14 41.0(2) . . ?
C12 Fe1 C14 68.7(2) . . ?
C5 Fe1 C14 147.59(19) . . ?
C6 Fe1 C14 116.82(19) . . ?
C9 Fe1 C14 170.92(19) . . ?
C13 Fe1 C11 68.5(2) . . ?
C12 Fe1 C11 40.51(18) . . ?
C5 Fe1 C11 128.96(18) . . ?
C6 Fe1 C11 167.49(19) . . ?
C9 Fe1 C11 108.42(19) . . ?
C14 Fe1 C11 68.1(2) . . ?
C13 Fe1 C8 170.6(2) . . ?
C12 Fe1 C8 148.3(2) . . ?
C5 Fe1 C8 68.66(18) . . ?
C6 Fe1 C8 68.12(19) . . ?
C9 Fe1 C8 40.40(18) . . ?
C14 Fe1 C8 132.9(2) . . ?
C11 Fe1 C8 117.9(2) . . ?
C13 Fe1 C7 130.8(2) . . ?
C12 Fe1 C7 168.37(19) . . ?
C5 Fe1 C7 68.73(17) . . ?
C6 Fe1 C7 40.57(18) . . ?
C9 Fe1 C7 68.24(19) . . ?
C14 Fe1 C7 110.4(2) . . ?
C11 Fe1 C7 150.82(19) . . ?
C8 Fe1 C7 40.45(19) . . ?
C13 Fe1 C10 68.34(19) . . ?
C12 Fe1 C10 68.26(19) . . ?
C5 Fe1 C10 168.92(18) . . ?
C6 Fe1 C10 150.16(18) . . ?
C9 Fe1 C10 131.91(19) . . ?
C14 Fe1 C10 40.16(19) . . ?
C11 Fe1 C10 40.49(18) . . ?
C8 Fe1 C10 111.48(19) . . ?
C7 Fe1 C10 119.07(18) . . ?
C24 Fe2 C20 40.5(2) . . ?
C24 Fe2 C16 105.99(19) . . ?
C20 Fe2 C16 127.9(2) . . ?
C24 Fe2 C17 127.2(2) . . ?
C20 Fe2 C17 165.6(2) . . ?
C16 Fe2 C17 40.45(18) . . ?
C24 Fe2 C22 68.22(19) . . ?
C20 Fe2 C22 68.0(2) . . ?
C16 Fe2 C22 149.5(2) . . ?
C17 Fe2 C22 117.9(2) . . ?
C24 Fe2 C21 68.0(2) . . ?
C20 Fe2 C21 40.0(2) . . ?
C16 Fe2 C21 166.8(2) . . ?
C17 Fe2 C21 152.5(2) . . ?
C22 Fe2 C21 40.8(2) . . ?
C24 Fe2 C19 150.28(19) . . ?
C20 Fe2 C19 118.90(19) . . ?
C16 Fe2 C19 68.12(18) . . ?
C17 Fe2 C19 68.15(18) . . ?
C22 Fe2 C19 131.61(19) . . ?
C21 Fe2 C19 110.91(19) . . ?
C24 Fe2 C18 166.6(2) . . ?
C20 Fe2 C18 152.4(2) . . ?
C16 Fe2 C18 68.30(18) . . ?
C17 Fe2 C18 40.75(18) . . ?
C22 Fe2 C18 110.1(2) . . ?
C21 Fe2 C18 120.15(19) . . ?
C19 Fe2 C18 40.46(18) . . ?
C24 Fe2 C23 40.58(19) . . ?
C20 Fe2 C23 68.1(2) . . ?
C16 Fe2 C23 115.47(19) . . ?
C17 Fe2 C23 107.2(2) . . ?
C22 Fe2 C23 40.53(19) . . ?
C21 Fe2 C23 68.2(2) . . ?
C19 Fe2 C23 168.85(19) . . ?
C18 Fe2 C23 129.6(2) . . ?
C24 Fe2 C15 115.91(18) . . ?
C20 Fe2 C15 107.96(19) . . ?
C16 Fe2 C15 40.99(17) . . ?
C17 Fe2 C15 68.55(18) . . ?
C22 Fe2 C15 169.0(2) . . ?
C21 Fe2 C15 129.8(2) . . ?
C19 Fe2 C15 40.36(17) . . ?
C18 Fe2 C15 68.38(18) . . ?
C23 Fe2 C15 148.81(18) . . ?
Ag1 Cl1 Ag1 82.87(4) . 3_665 ?
C1 P1 Ag1 115.35(15) . . ?
C1 P1 H11B 108.4 . . ?
Ag1 P1 H11B 108.4 . . ?
C1 P1 H11C 108.4 . . ?
Ag1 P1 H11C 108.4 . . ?
H11B P1 H11C 107.5 . . ?
C3 P2 Ag1 114.23(17) . . ?
C3 P2 H22B 108.7 . . ?
Ag1 P2 H22B 108.7 . . ?
C3 P2 H22C 108.7 . . ?
Ag1 P2 H22C 108.7 . . ?
H22B P2 H22C 107.6 . . ?
C2 C1 P1 114.4(3) . . ?
C2 C1 H1A 108.7 . . ?
P1 C1 H1A 108.7 . . ?
C2 C1 H1B 108.7 . . ?
P1 C1 H1B 108.7 . . ?
H1A C1 H1B 107.6 . . ?
C5 C2 C1 112.1(4) . . ?
C5 C2 H2A 109.2 . . ?
C1 C2 H2A 109.2 . . ?
C5 C2 H2B 109.2 . . ?
C1 C2 H2B 109.2 . . ?
H2A C2 H2B 107.9 . . ?
C4 C3 P2 111.8(3) . . ?
C4 C3 H3A 109.3 . . ?
P2 C3 H3A 109.3 . . ?
C4 C3 H3B 109.3 . . ?
P2 C3 H3B 109.3 . . ?
H3A C3 H3B 107.9 . . ?
C15 C4 C3 111.1(4) . . ?
C15 C4 H4A 109.4 . . ?
C3 C4 H4A 109.4 . . ?
C15 C4 H4B 109.4 . . ?
C3 C4 H4B 109.4 . . ?
H4A C4 H4B 108.0 . . ?
C6 C5 C9 107.1(4) . . ?
C6 C5 C2 126.1(4) . . ?
C9 C5 C2 126.8(4) . . ?
C6 C5 Fe1 69.7(2) . . ?
C9 C5 Fe1 69.7(2) . . ?
C2 C5 Fe1 126.1(3) . . ?
C7 C6 C5 108.7(4) . . ?
C7 C6 Fe1 70.2(2) . . ?
C5 C6 Fe1 69.5(2) . . ?
C7 C6 H6A 125.6 . . ?
C5 C6 H6A 125.6 . . ?
Fe1 C6 H6A 125.6 . . ?
C8 C7 C6 107.6(4) . . ?
C8 C7 Fe1 69.6(3) . . ?
C6 C7 Fe1 69.2(3) . . ?
C8 C7 H7A 126.2 . . ?
C6 C7 H7A 126.2 . . ?
Fe1 C7 H7A 126.2 . . ?
C9 C8 C7 108.5(4) . . ?
C9 C8 Fe1 69.6(3) . . ?
C7 C8 Fe1 70.0(3) . . ?
C9 C8 H8A 125.7 . . ?
C7 C8 H8A 125.7 . . ?
Fe1 C8 H8A 125.7 . . ?
C8 C9 C5 108.1(4) . . ?
C8 C9 Fe1 70.0(3) . . ?
C5 C9 Fe1 69.2(3) . . ?
C8 C9 H9A 125.9 . . ?
C5 C9 H9A 125.9 . . ?
Fe1 C9 H9A 125.9 . . ?
C14 C10 C11 108.1(4) . . ?
C14 C10 Fe1 69.4(3) . . ?
C11 C10 Fe1 69.3(3) . . ?
C14 C10 H10A 126.0 . . ?
C11 C10 H10A 126.0 . . ?
Fe1 C10 H10A 126.0 . . ?
C12 C11 C10 108.3(4) . . ?
C12 C11 Fe1 69.4(3) . . ?
C10 C11 Fe1 70.2(3) . . ?
C12 C11 H11A 125.8 . . ?
C10 C11 H11A 125.8 . . ?
Fe1 C11 H11A 125.8 . . ?
C11 C12 C13 107.9(4) . . ?
C11 C12 Fe1 70.1(3) . . ?
C13 C12 Fe1 69.4(3) . . ?
C11 C12 H12A 126.1 . . ?
C13 C12 H12A 126.1 . . ?
Fe1 C12 H12A 126.1 . . ?
C12 C13 C14 107.5(4) . . ?
C12 C13 Fe1 69.6(3) . . ?
C14 C13 Fe1 69.8(3) . . ?
C12 C13 H13A 126.3 . . ?
C14 C13 H13A 126.3 . . ?
Fe1 C13 H13A 126.3 . . ?
C10 C14 C13 108.2(4) . . ?
C10 C14 Fe1 70.5(3) . . ?
C13 C14 Fe1 69.1(3) . . ?
C10 C14 H14A 125.9 . . ?
C13 C14 H14A 125.9 . . ?
Fe1 C14 H14A 125.9 . . ?
C19 C15 C16 106.8(4) . . ?
C19 C15 C4 128.2(4) . . ?
C16 C15 C4 125.0(4) . . ?
C19 C15 Fe2 69.4(3) . . ?
C16 C15 Fe2 68.9(2) . . ?
C4 C15 Fe2 128.1(3) . . ?
C17 C16 C15 108.4(4) . . ?
C17 C16 Fe2 69.8(3) . . ?
C15 C16 Fe2 70.1(2) . . ?
C17 C16 H16A 125.8 . . ?
C15 C16 H16A 125.8 . . ?
Fe2 C16 H16A 125.8 . . ?
C16 C17 C18 108.1(4) . . ?
C16 C17 Fe2 69.7(3) . . ?
C18 C17 Fe2 69.8(3) . . ?
C16 C17 H17A 126.0 . . ?
C18 C17 H17A 126.0 . . ?
Fe2 C17 H17A 126.0 . . ?
C19 C18 C17 107.6(4) . . ?
C19 C18 Fe2 69.7(3) . . ?
C17 C18 Fe2 69.5(3) . . ?
C19 C18 H18A 126.2 . . ?
C17 C18 H18A 126.2 . . ?
Fe2 C18 H18A 126.2 . . ?
C18 C19 C15 109.1(4) . . ?
C18 C19 Fe2 69.8(2) . . ?
C15 C19 Fe2 70.3(2) . . ?
C18 C19 H19A 125.4 . . ?
C15 C19 H19A 125.4 . . ?
Fe2 C19 H19A 125.4 . . ?
C21 C20 C24 108.5(4) . . ?
C21 C20 Fe2 70.1(3) . . ?
C24 C20 Fe2 69.7(3) . . ?
C21 C20 H20A 125.8 . . ?
C24 C20 H20A 125.8 . . ?
Fe2 C20 H20A 125.8 . . ?
C20 C21 C22 108.1(4) . . ?
C20 C21 Fe2 69.9(3) . . ?
C22 C21 Fe2 69.6(3) . . ?
C20 C21 H21A 125.9 . . ?
C22 C21 H21A 125.9 . . ?
Fe2 C21 H21A 125.9 . . ?
C23 C22 C21 107.7(4) . . ?
C23 C22 Fe2 69.9(3) . . ?
C21 C22 Fe2 69.7(3) . . ?
C23 C22 H22A 126.1 . . ?
C21 C22 H22A 126.1 . . ?
Fe2 C22 H22A 126.1 . . ?
C22 C23 C24 107.7(4) . . ?
C22 C23 Fe2 69.5(3) . . ?
C24 C23 Fe2 69.4(3) . . ?
C22 C23 H23A 126.1 . . ?
C24 C23 H23A 126.1 . . ?
Fe2 C23 H23A 126.1 . . ?
C20 C24 C23 107.9(4) . . ?
C20 C24 Fe2 69.8(3) . . ?
C23 C24 Fe2 70.0(3) . . ?
C20 C24 H24A 126.0 . . ?
C23 C24 H24A 126.0 . . ?
Fe2 C24 H24A 126.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 P1 C1 C2 -169.6(3) . . . . ?
P1 C1 C2 C5 -166.6(3) . . . . ?
Ag1 P2 C3 C4 72.9(4) . . . . ?
P2 C3 C4 C15 175.5(3) . . . . ?
C1 C2 C5 C6 -84.3(6) . . . . ?
C1 C2 C5 C9 95.2(5) . . . . ?
C1 C2 C5 Fe1 -174.3(3) . . . . ?
C9 C5 C6 C7 0.5(5) . . . . ?
C2 C5 C6 C7 -180.0(4) . . . . ?
Fe1 C5 C6 C7 -59.5(3) . . . . ?
C9 C5 C6 Fe1 59.9(3) . . . . ?
C2 C5 C6 Fe1 -120.5(4) . . . . ?
C5 C6 C7 C8 -0.2(5) . . . . ?
Fe1 C6 C7 C8 -59.2(3) . . . . ?
C5 C6 C7 Fe1 59.0(3) . . . . ?
C6 C7 C8 C9 -0.2(5) . . . . ?
Fe1 C7 C8 C9 -59.1(3) . . . . ?
C6 C7 C8 Fe1 59.0(3) . . . . ?
C7 C8 C9 C5 0.4(5) . . . . ?
Fe1 C8 C9 C5 -58.9(3) . . . . ?
C7 C8 C9 Fe1 59.3(3) . . . . ?
C6 C5 C9 C8 -0.5(5) . . . . ?
C2 C5 C9 C8 179.9(4) . . . . ?
Fe1 C5 C9 C8 59.4(3) . . . . ?
C6 C5 C9 Fe1 -59.9(3) . . . . ?
C2 C5 C9 Fe1 120.5(4) . . . . ?
C14 C10 C11 C12 0.4(5) . . . . ?
Fe1 C10 C11 C12 59.1(3) . . . . ?
C14 C10 C11 Fe1 -58.7(3) . . . . ?
C10 C11 C12 C13 -0.2(5) . . . . ?
Fe1 C11 C12 C13 59.4(3) . . . . ?
C10 C11 C12 Fe1 -59.6(3) . . . . ?
C11 C12 C13 C14 0.0(5) . . . . ?
Fe1 C12 C13 C14 59.8(3) . . . . ?
C11 C12 C13 Fe1 -59.8(3) . . . . ?
C11 C10 C14 C13 -0.3(5) . . . . ?
Fe1 C10 C14 C13 -59.0(3) . . . . ?
C11 C10 C14 Fe1 58.7(3) . . . . ?
C12 C13 C14 C10 0.2(5) . . . . ?
Fe1 C13 C14 C10 59.9(3) . . . . ?
C12 C13 C14 Fe1 -59.7(3) . . . . ?
C3 C4 C15 C19 111.5(5) . . . . ?
C3 C4 C15 C16 -66.4(6) . . . . ?
C3 C4 C15 Fe2 -155.8(3) . . . . ?
C19 C15 C16 C17 -0.3(5) . . . . ?
C4 C15 C16 C17 178.0(4) . . . . ?
Fe2 C15 C16 C17 -59.5(3) . . . . ?
C19 C15 C16 Fe2 59.2(3) . . . . ?
C4 C15 C16 Fe2 -122.5(4) . . . . ?
C15 C16 C17 C18 0.3(5) . . . . ?
Fe2 C16 C17 C18 -59.5(3) . . . . ?
C15 C16 C17 Fe2 59.7(3) . . . . ?
C16 C17 C18 C19 -0.1(5) . . . . ?
Fe2 C17 C18 C19 -59.6(3) . . . . ?
C16 C17 C18 Fe2 59.5(3) . . . . ?
C17 C18 C19 C15 -0.1(5) . . . . ?
Fe2 C18 C19 C15 -59.5(3) . . . . ?
C17 C18 C19 Fe2 59.4(3) . . . . ?
C16 C15 C19 C18 0.2(5) . . . . ?
C4 C15 C19 C18 -178.0(4) . . . . ?
Fe2 C15 C19 C18 59.2(3) . . . . ?
C16 C15 C19 Fe2 -58.9(3) . . . . ?
C4 C15 C19 Fe2 122.9(5) . . . . ?
C24 C20 C21 C22 0.0(5) . . . . ?
Fe2 C20 C21 C22 -59.3(3) . . . . ?
C24 C20 C21 Fe2 59.3(3) . . . . ?
C20 C21 C22 C23 -0.4(5) . . . . ?
Fe2 C21 C22 C23 -59.8(3) . . . . ?
C20 C21 C22 Fe2 59.5(3) . . . . ?
C21 C22 C23 C24 0.6(5) . . . . ?
Fe2 C22 C23 C24 -59.1(3) . . . . ?
C21 C22 C23 Fe2 59.7(3) . . . . ?
C21 C20 C24 C23 0.3(5) . . . . ?
Fe2 C20 C24 C23 59.9(3) . . . . ?
C21 C20 C24 Fe2 -59.5(3) . . . . ?
C22 C23 C24 C20 -0.6(5) . . . . ?
Fe2 C23 C24 C20 -59.7(3) . . . . ?
C22 C23 C24 Fe2 59.2(3) . . . . ?

_refine_diff_density_max         0.686
_refine_diff_density_min         -0.907
_refine_diff_density_rms         0.152

_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Bruker Apex2'
_diffrn_measurement_device       'κ-geometry diffractometer'


####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_b15195
_database_code_depnum_ccdc_archive 'CCDC 1429841'
_audit_update_record             
;
2015-10-06 deposited with the CCDC.
2016-01-06 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H27 Au Cl Fe2 P'
_chemical_formula_weight         690.54
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.016(2)
_cell_length_b                   12.823(2)
_cell_length_c                   15.892(3)
_cell_angle_alpha                85.180(10)
_cell_angle_beta                 81.788(16)
_cell_angle_gamma                89.914(10)
_cell_volume                     2213.8(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    110
_cell_measurement_reflns_used    9988
_cell_measurement_theta_min      2.97
_cell_measurement_theta_max      29.59
_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.072
_exptl_crystal_F_000             1336
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.131
_exptl_crystal_size_mid          0.063
_exptl_crystal_size_min          0.034
_exptl_absorpt_coefficient_mu    8.106
_shelx_estimated_absorpt_T_min   0.417
_shelx_estimated_absorpt_T_max   0.770
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.308115
_exptl_absorpt_correction_T_max  0.432209
_exptl_absorpt_process_details   TWINABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      110
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            12250
_diffrn_reflns_av_unetI/netI     0.0977
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.594
_diffrn_reflns_theta_max         29.712
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             12250
_reflns_number_gt                8313
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       Apex2
_computing_cell_refinement       SAINT
_computing_data_reduction        SAINT
_computing_structure_solution    SHELXT
_computing_structure_refinement  SHELXL-2014
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
_refine_special_details          
;
 Refined as a 2-component twin.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0925P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12250
_refine_ls_number_parameters     524
_refine_ls_number_restraints     250
_refine_ls_R_factor_all          0.0996
_refine_ls_R_factor_gt           0.0542
_refine_ls_wR_factor_ref         0.1685
_refine_ls_wR_factor_gt          0.1323
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au2 Au 0.89560(5) -0.11325(5) 0.47405(3) 0.02039(14) Uani 1 1 d . . . . .
Fe3 Fe 0.66995(17) 0.14166(15) 0.82713(12) 0.0137(4) Uani 1 1 d . . . . .
Fe4 Fe 0.85257(18) 0.20056(15) 0.20076(12) 0.0149(4) Uani 1 1 d . . . . .
Cl2 Cl 1.0295(3) -0.2448(3) 0.4377(2) 0.0247(8) Uani 1 1 d . . . . .
P2 P 0.7660(4) 0.0173(3) 0.5037(2) 0.0201(8) Uani 1 1 d . . . . .
H1AP H 0.8304 0.1034 0.4917 0.024 Uiso 1 1 calc R U . . .
C25 C 0.6857(14) 0.0102(13) 0.6133(9) 0.027(4) Uani 1 1 d . . . . .
H1A1 H 0.6392 0.0755 0.6216 0.033 Uiso 1 1 calc R U . . .
H1A2 H 0.6258 -0.0485 0.6213 0.033 Uiso 1 1 calc R U . . .
C26 C 0.7717(15) -0.0054(13) 0.6824(9) 0.030(4) Uani 1 1 d . . . . .
H2A1 H 0.8071 -0.0763 0.6799 0.036 Uiso 1 1 calc R U . . .
H2A2 H 0.8404 0.0456 0.6675 0.036 Uiso 1 1 calc R U . . .
C27 C 0.7166(12) 0.0060(9) 0.7698(8) 0.012(2) Uani 1 1 d . U . . .
C28 C 0.5874(12) 0.0088(10) 0.8006(8) 0.017(2) Uani 1 1 d . U . . .
H4A H 0.5237 0.0064 0.7664 0.020 Uiso 1 1 calc R U . . .
C29 C 0.5704(13) 0.0158(10) 0.8891(8) 0.019(2) Uani 1 1 d . U . . .
H5A H 0.4942 0.0190 0.9252 0.023 Uiso 1 1 calc R U . . .
C30 C 0.6898(12) 0.0170(9) 0.9145(8) 0.017(2) Uani 1 1 d . U . . .
H6A H 0.7070 0.0203 0.9711 0.020 Uiso 1 1 calc R U . . .
C31 C 0.7799(12) 0.0125(9) 0.8393(8) 0.014(2) Uani 1 1 d . U . . .
H7A H 0.8664 0.0137 0.8375 0.017 Uiso 1 1 calc R U . . .
C32 C 0.7122(11) 0.2641(10) 0.7391(8) 0.018(2) Uani 1 1 d . U . . .
H8A H 0.7415 0.2590 0.6804 0.021 Uiso 1 1 calc R U . . .
C33 C 0.5860(12) 0.2681(10) 0.7770(8) 0.016(2) Uani 1 1 d . U . . .
H9A H 0.5167 0.2666 0.7476 0.019 Uiso 1 1 calc R U . . .
C34 C 0.5828(14) 0.2746(11) 0.8652(9) 0.025(3) Uani 1 1 d . U . . .
H10A H 0.5115 0.2772 0.9064 0.030 Uiso 1 1 calc R U . . .
C35 C 0.7084(14) 0.2767(11) 0.8811(9) 0.026(3) Uani 1 1 d . U . . .
H11A H 0.7341 0.2823 0.9352 0.031 Uiso 1 1 calc R U . . .
C36 C 0.7851(13) 0.2693(10) 0.8054(9) 0.023(3) Uani 1 1 d . U . . .
H12A H 0.8721 0.2679 0.7988 0.028 Uiso 1 1 calc R U . . .
C37 C 0.6470(13) 0.0322(10) 0.4347(8) 0.016(3) Uani 1 1 d . U . . .
H13A H 0.5930 -0.0305 0.4451 0.019 Uiso 1 1 calc R U . . .
H13B H 0.5964 0.0935 0.4501 0.019 Uiso 1 1 calc R U . . .
C38 C 0.6978(13) 0.0468(10) 0.3408(8) 0.019(3) Uani 1 1 d . U . . .
H14A H 0.7317 -0.0206 0.3226 0.023 Uiso 1 1 calc R U . . .
H14B H 0.6296 0.0651 0.3081 0.023 Uiso 1 1 calc R U . . .
C39 C 0.7940(11) 0.1279(11) 0.3192(7) 0.014(2) Uani 1 1 d . U . . .
C40 C 0.9237(11) 0.1128(11) 0.2945(7) 0.017(2) Uani 1 1 d . U . . .
H16A H 0.9638 0.0475 0.2898 0.020 Uiso 1 1 calc R U . . .
C41 C 0.9808(12) 0.2138(11) 0.2784(9) 0.023(3) Uani 1 1 d . U . . .
H17A H 1.0656 0.2277 0.2601 0.028 Uiso 1 1 calc R U . . .
C42 C 0.8908(12) 0.2879(11) 0.2940(8) 0.020(2) Uani 1 1 d . U . . .
H18A H 0.9050 0.3613 0.2886 0.024 Uiso 1 1 calc R U . . .
C43 C 0.7782(11) 0.2407(10) 0.3185(7) 0.014(2) Uani 1 1 d . U . . .
H19A H 0.7028 0.2757 0.3326 0.016 Uiso 1 1 calc R U . . .
C44 C 0.7773(14) 0.1197(12) 0.1183(9) 0.028(3) Uani 1 1 d . U . . .
H20A H 0.7357 0.0544 0.1322 0.033 Uiso 1 1 calc R U . . .
C45 C 0.9006(15) 0.1312(12) 0.0910(9) 0.030(3) Uani 1 1 d . U . . .
H21A H 0.9578 0.0763 0.0824 0.036 Uiso 1 1 calc R U . . .
C46 C 0.9276(14) 0.2417(12) 0.0777(8) 0.027(3) Uani 1 1 d . U . . .
H22A H 1.0057 0.2736 0.0594 0.032 Uiso 1 1 calc R U . . .
C47 C 0.8116(14) 0.2948(12) 0.0979(8) 0.028(3) Uani 1 1 d . U . . .
H23A H 0.7994 0.3683 0.0946 0.033 Uiso 1 1 calc R U . . .
C48 C 0.7210(15) 0.2173(12) 0.1231(10) 0.030(3) Uani 1 1 d . U . . .
H24A H 0.6363 0.2290 0.1404 0.036 Uiso 1 1 calc R U . . .
Au1 Au 0.38959(5) 0.61401(5) 0.46948(3) 0.01995(14) Uani 1 1 d . . . . .
Fe1 Fe 0.16321(17) 0.29856(14) 0.83314(12) 0.0137(4) Uani 1 1 d . . . . .
Fe2 Fe 0.36026(17) 0.35000(15) 0.19513(12) 0.0145(4) Uani 1 1 d . . . . .
Cl1 Cl 0.5152(3) 0.7604(3) 0.4400(2) 0.0248(8) Uani 1 1 d . . . . .
P1 P 0.2712(4) 0.4702(3) 0.4966(2) 0.0173(8) Uani 1 1 d . . . . .
H1P H 0.3419 0.3900 0.4842 0.021 Uiso 1 1 calc R U . . .
C1 C 0.1912(13) 0.4518(11) 0.6059(8) 0.020(3) Uani 1 1 d . U . . .
H1A H 0.1264 0.5051 0.6138 0.024 Uiso 1 1 calc R U . . .
H1B H 0.1509 0.3820 0.6149 0.024 Uiso 1 1 calc R U . . .
C2 C 0.2760(12) 0.4604(11) 0.6719(8) 0.017(3) Uani 1 1 d . U . . .
H2A H 0.3430 0.4093 0.6625 0.020 Uiso 1 1 calc R U . . .
H2B H 0.3132 0.5313 0.6649 0.020 Uiso 1 1 calc R U . . .
C3 C 0.2098(13) 0.4402(11) 0.7606(8) 0.018(3) Uani 1 1 d . U . . .
C4 C 0.2644(13) 0.4330(9) 0.8371(8) 0.017(2) Uani 1 1 d . U . . .
H4 H 0.3499 0.4362 0.8400 0.020 Uiso 1 1 calc R U . . .
C5 C 0.1674(13) 0.4198(10) 0.9103(8) 0.020(3) Uani 1 1 d . U . . .
H5 H 0.1777 0.4130 0.9688 0.024 Uiso 1 1 calc R U . . .
C6 C 0.0534(13) 0.4190(11) 0.8763(9) 0.025(3) Uani 1 1 d . U . . .
H6 H -0.0258 0.4111 0.9089 0.030 Uiso 1 1 calc R U . . .
C7 C 0.0785(13) 0.4321(10) 0.7863(9) 0.019(3) Uani 1 1 d . U . . .
H7 H 0.0187 0.4352 0.7486 0.023 Uiso 1 1 calc R U . . .
C8 C 0.2361(14) 0.1789(12) 0.7639(10) 0.033(3) Uani 1 1 d . U . . .
H8 H 0.2877 0.1864 0.7104 0.040 Uiso 1 1 calc R U . . .
C9 C 0.2750(14) 0.1731(10) 0.8451(10) 0.029(3) Uani 1 1 d . U . . .
H9 H 0.3579 0.1774 0.8547 0.035 Uiso 1 1 calc R U . . .
C10 C 0.1743(12) 0.1602(10) 0.9094(9) 0.024(3) Uani 1 1 d . U . . .
H10 H 0.1761 0.1535 0.9692 0.029 Uiso 1 1 calc R U . . .
C11 C 0.0691(12) 0.1589(9) 0.8678(8) 0.015(2) Uani 1 1 d . U . . .
H11 H -0.0130 0.1511 0.8956 0.019 Uiso 1 1 calc R U . . .
C12 C 0.1059(13) 0.1715(10) 0.7767(9) 0.022(3) Uani 1 1 d . U . . .
H12 H 0.0536 0.1743 0.7339 0.026 Uiso 1 1 calc R U . . .
C13 C 0.1453(11) 0.4588(11) 0.4337(8) 0.016(3) Uani 1 1 d . . . . .
H13C H 0.1008 0.3920 0.4526 0.019 Uiso 1 1 calc R U . . .
H13D H 0.0870 0.5164 0.4453 0.019 Uiso 1 1 calc R U . . .
C14 C 0.1885(12) 0.4624(11) 0.3359(8) 0.019(3) Uani 1 1 d . . . . .
H14C H 0.1212 0.4353 0.3083 0.023 Uiso 1 1 calc R U . . .
H14D H 0.2036 0.5364 0.3135 0.023 Uiso 1 1 calc R U . . .
C15 C 0.3037(11) 0.4003(11) 0.3102(8) 0.015(2) Uani 1 1 d . U . . .
C16 C 0.3152(12) 0.2905(10) 0.3182(8) 0.018(2) Uani 1 1 d . U . . .
H16 H 0.2509 0.2416 0.3387 0.022 Uiso 1 1 calc R U . . .
C17 C 0.4402(12) 0.2654(11) 0.2901(8) 0.023(3) Uani 1 1 d . U . . .
H17 H 0.4740 0.1973 0.2892 0.027 Uiso 1 1 calc R U . . .
C18 C 0.5049(12) 0.3619(10) 0.2638(8) 0.020(2) Uani 1 1 d . U . . .
H18 H 0.5895 0.3696 0.2415 0.024 Uiso 1 1 calc R U . . .
C19 C 0.4201(12) 0.4437(11) 0.2769(9) 0.020(3) Uani 1 1 d . U . . .
H19 H 0.4384 0.5163 0.2651 0.024 Uiso 1 1 calc R U . . .
C20 C 0.2247(12) 0.3792(11) 0.1236(8) 0.019(2) Uani 1 1 d . U . . .
H20 H 0.1446 0.4020 0.1442 0.023 Uiso 1 1 calc R U . . .
C21 C 0.2614(11) 0.2741(11) 0.1203(8) 0.019(2) Uani 1 1 d . U . . .
H21 H 0.2108 0.2141 0.1381 0.023 Uiso 1 1 calc R U . . .
C22 C 0.3852(12) 0.2737(11) 0.0862(8) 0.022(3) Uani 1 1 d . U . . .
H22 H 0.4329 0.2131 0.0759 0.026 Uiso 1 1 calc R U . . .
C23 C 0.4288(13) 0.3795(11) 0.0692(8) 0.025(3) Uani 1 1 d . U . . .
H23 H 0.5099 0.4027 0.0474 0.029 Uiso 1 1 calc R U . . .
C24 C 0.3234(13) 0.4434(11) 0.0922(8) 0.024(2) Uani 1 1 d . U . . .
H24 H 0.3225 0.5177 0.0866 0.029 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au2 P2 2.235(4) . ?
Au2 Cl2 2.295(4) . ?
Fe3 C32 2.022(13) . ?
Fe3 C33 2.027(13) . ?
Fe3 C28 2.034(13) . ?
Fe3 C36 2.047(14) . ?
Fe3 C34 2.049(15) . ?
Fe3 C29 2.051(13) . ?
Fe3 C30 2.060(12) . ?
Fe3 C27 2.061(13) . ?
Fe3 C31 2.063(13) . ?
Fe3 C35 2.067(14) . ?
Fe4 C44 2.004(14) . ?
Fe4 C41 2.020(13) . ?
Fe4 C42 2.021(13) . ?
Fe4 C45 2.027(15) . ?
Fe4 C48 2.033(15) . ?
Fe4 C40 2.037(12) . ?
Fe4 C46 2.037(13) . ?
Fe4 C43 2.040(12) . ?
Fe4 C39 2.046(12) . ?
Fe4 C47 2.053(13) . ?
P2 C37 1.824(12) . ?
P2 C25 1.833(15) . ?
P2 H1AP 1.3000 . ?
C25 C26 1.550(18) . ?
C25 H1A1 0.9900 . ?
C25 H1A2 0.9900 . ?
C26 C27 1.45(2) . ?
C26 H2A1 0.9900 . ?
C26 H2A2 0.9900 . ?
C27 C31 1.395(16) . ?
C27 C28 1.439(18) . ?
C28 C29 1.402(17) . ?
C28 H4A 0.9500 . ?
C29 C30 1.430(18) . ?
C29 H5A 0.9500 . ?
C30 C31 1.444(18) . ?
C30 H6A 0.9500 . ?
C31 H7A 0.9500 . ?
C32 C36 1.420(18) . ?
C32 C33 1.437(17) . ?
C32 H8A 0.9500 . ?
C33 C34 1.407(19) . ?
C33 H9A 0.9500 . ?
C34 C35 1.44(2) . ?
C34 H10A 0.9500 . ?
C35 C36 1.378(19) . ?
C35 H11A 0.9500 . ?
C36 H12A 0.9500 . ?
C37 C38 1.513(18) . ?
C37 H13A 0.9900 . ?
C37 H13B 0.9900 . ?
C38 C39 1.471(18) . ?
C38 H14A 0.9900 . ?
C38 H14B 0.9900 . ?
C39 C40 1.444(16) . ?
C39 C43 1.456(18) . ?
C40 C41 1.428(18) . ?
C40 H16A 0.9500 . ?
C41 C42 1.383(19) . ?
C41 H17A 0.9500 . ?
C42 C43 1.371(16) . ?
C42 H18A 0.9500 . ?
C43 H19A 0.9500 . ?
C44 C45 1.37(2) . ?
C44 C48 1.40(2) . ?
C44 H20A 0.9500 . ?
C45 C46 1.44(2) . ?
C45 H21A 0.9500 . ?
C46 C47 1.45(2) . ?
C46 H22A 0.9500 . ?
C47 C48 1.40(2) . ?
C47 H23A 0.9500 . ?
C48 H24A 0.9500 . ?
Au1 P1 2.236(4) . ?
Au1 Cl1 2.310(4) . ?
Fe1 C9 2.037(14) . ?
Fe1 C8 2.058(16) . ?
Fe1 C6 2.063(15) . ?
Fe1 C5 2.063(13) . ?
Fe1 C11 2.064(12) . ?
Fe1 C4 2.065(13) . ?
Fe1 C12 2.066(14) . ?
Fe1 C10 2.076(13) . ?
Fe1 C7 2.083(13) . ?
Fe1 C3 2.091(14) . ?
Fe2 C15 2.005(13) . ?
Fe2 C19 2.019(13) . ?
Fe2 C20 2.019(12) . ?
Fe2 C21 2.029(12) . ?
Fe2 C16 2.031(13) . ?
Fe2 C24 2.033(13) . ?
Fe2 C23 2.039(14) . ?
Fe2 C22 2.044(13) . ?
Fe2 C18 2.068(13) . ?
Fe2 C17 2.082(13) . ?
P1 C1 1.829(13) . ?
P1 C13 1.834(12) . ?
P1 H1P 1.3000 . ?
C1 C2 1.511(17) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.494(18) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.428(16) . ?
C3 C7 1.447(19) . ?
C4 C5 1.461(19) . ?
C4 H4 0.9500 . ?
C5 C6 1.437(18) . ?
C5 H5 0.9500 . ?
C6 C7 1.414(19) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.41(2) . ?
C8 C12 1.42(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.40(2) . ?
C9 H9 0.9500 . ?
C10 C11 1.415(18) . ?
C10 H10 0.9500 . ?
C11 C12 1.442(18) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.557(17) . ?
C13 H13C 0.9900 . ?
C13 H13D 0.9900 . ?
C14 C15 1.522(18) . ?
C14 H14C 0.9900 . ?
C14 H14D 0.9900 . ?
C15 C16 1.409(19) . ?
C15 C19 1.412(18) . ?
C16 C17 1.431(18) . ?
C16 H16 0.9500 . ?
C17 C18 1.430(18) . ?
C17 H17 0.9500 . ?
C18 C19 1.412(18) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C24 1.374(19) . ?
C20 C21 1.411(19) . ?
C20 H20 0.9500 . ?
C21 C22 1.393(17) . ?
C21 H21 0.9500 . ?
C22 C23 1.430(19) . ?
C22 H22 0.9500 . ?
C23 C24 1.44(2) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Au2 Cl2 177.59(13) . . ?
C32 Fe3 C33 41.6(5) . . ?
C32 Fe3 C28 122.5(5) . . ?
C33 Fe3 C28 109.4(5) . . ?
C32 Fe3 C36 40.8(5) . . ?
C33 Fe3 C36 68.8(5) . . ?
C28 Fe3 C36 157.2(5) . . ?
C32 Fe3 C34 68.9(5) . . ?
C33 Fe3 C34 40.4(5) . . ?
C28 Fe3 C34 126.1(6) . . ?
C36 Fe3 C34 68.2(6) . . ?
C32 Fe3 C29 157.2(5) . . ?
C33 Fe3 C29 121.2(5) . . ?
C28 Fe3 C29 40.1(5) . . ?
C36 Fe3 C29 160.7(5) . . ?
C34 Fe3 C29 107.7(6) . . ?
C32 Fe3 C30 160.7(5) . . ?
C33 Fe3 C30 155.9(5) . . ?
C28 Fe3 C30 67.5(5) . . ?
C36 Fe3 C30 123.7(5) . . ?
C34 Fe3 C30 120.6(6) . . ?
C29 Fe3 C30 40.7(5) . . ?
C32 Fe3 C27 108.1(5) . . ?
C33 Fe3 C27 127.0(5) . . ?
C28 Fe3 C27 41.1(5) . . ?
C36 Fe3 C27 120.6(5) . . ?
C34 Fe3 C27 163.8(5) . . ?
C29 Fe3 C27 68.6(5) . . ?
C30 Fe3 C27 67.6(5) . . ?
C32 Fe3 C31 123.7(5) . . ?
C33 Fe3 C31 162.2(5) . . ?
C28 Fe3 C31 68.0(5) . . ?
C36 Fe3 C31 106.4(5) . . ?
C34 Fe3 C31 155.4(5) . . ?
C29 Fe3 C31 69.0(5) . . ?
C30 Fe3 C31 41.0(5) . . ?
C27 Fe3 C31 39.6(4) . . ?
C32 Fe3 C35 67.5(5) . . ?
C33 Fe3 C35 68.0(5) . . ?
C28 Fe3 C35 163.0(6) . . ?
C36 Fe3 C35 39.1(5) . . ?
C34 Fe3 C35 41.0(6) . . ?
C29 Fe3 C35 125.6(6) . . ?
C30 Fe3 C35 107.6(5) . . ?
C27 Fe3 C35 153.9(5) . . ?
C31 Fe3 C35 119.8(5) . . ?
C44 Fe4 C41 149.9(6) . . ?
C44 Fe4 C42 167.7(6) . . ?
C41 Fe4 C42 40.0(5) . . ?
C44 Fe4 C45 39.7(6) . . ?
C41 Fe4 C45 118.2(6) . . ?
C42 Fe4 C45 152.2(6) . . ?
C44 Fe4 C48 40.5(6) . . ?
C41 Fe4 C48 169.1(6) . . ?
C42 Fe4 C48 130.5(6) . . ?
C45 Fe4 C48 68.3(6) . . ?
C44 Fe4 C40 115.6(6) . . ?
C41 Fe4 C40 41.2(5) . . ?
C42 Fe4 C40 68.1(5) . . ?
C45 Fe4 C40 107.1(6) . . ?
C48 Fe4 C40 148.1(6) . . ?
C44 Fe4 C46 68.2(6) . . ?
C41 Fe4 C46 109.5(6) . . ?
C42 Fe4 C46 119.3(6) . . ?
C45 Fe4 C46 41.5(6) . . ?
C48 Fe4 C46 68.8(6) . . ?
C40 Fe4 C46 129.7(6) . . ?
C44 Fe4 C43 129.4(6) . . ?
C41 Fe4 C43 67.9(5) . . ?
C42 Fe4 C43 39.5(5) . . ?
C45 Fe4 C43 166.7(6) . . ?
C48 Fe4 C43 107.9(6) . . ?
C40 Fe4 C43 69.0(5) . . ?
C46 Fe4 C43 150.5(6) . . ?
C44 Fe4 C39 105.9(5) . . ?
C41 Fe4 C39 69.5(5) . . ?
C42 Fe4 C39 68.6(5) . . ?
C45 Fe4 C39 127.0(6) . . ?
C48 Fe4 C39 114.6(6) . . ?
C40 Fe4 C39 41.4(5) . . ?
C46 Fe4 C39 167.4(6) . . ?
C43 Fe4 C39 41.7(5) . . ?
C44 Fe4 C47 67.9(6) . . ?
C41 Fe4 C47 131.6(6) . . ?
C42 Fe4 C47 110.6(6) . . ?
C45 Fe4 C47 69.3(6) . . ?
C48 Fe4 C47 40.1(6) . . ?
C40 Fe4 C47 170.2(6) . . ?
C46 Fe4 C47 41.7(6) . . ?
C43 Fe4 C47 116.6(6) . . ?
C39 Fe4 C47 148.0(6) . . ?
C37 P2 C25 106.0(6) . . ?
C37 P2 Au2 114.1(4) . . ?
C25 P2 Au2 115.4(5) . . ?
C37 P2 H1AP 107.0 . . ?
C25 P2 H1AP 107.0 . . ?
Au2 P2 H1AP 107.0 . . ?
C26 C25 P2 114.0(11) . . ?
C26 C25 H1A1 108.8 . . ?
P2 C25 H1A1 108.8 . . ?
C26 C25 H1A2 108.8 . . ?
P2 C25 H1A2 108.8 . . ?
H1A1 C25 H1A2 107.7 . . ?
C27 C26 C25 116.5(13) . . ?
C27 C26 H2A1 108.2 . . ?
C25 C26 H2A1 108.2 . . ?
C27 C26 H2A2 108.2 . . ?
C25 C26 H2A2 108.2 . . ?
H2A1 C26 H2A2 107.3 . . ?
C31 C27 C28 107.9(12) . . ?
C31 C27 C26 125.9(12) . . ?
C28 C27 C26 126.1(11) . . ?
C31 C27 Fe3 70.3(7) . . ?
C28 C27 Fe3 68.4(7) . . ?
C26 C27 Fe3 128.4(10) . . ?
C29 C28 C27 109.3(11) . . ?
C29 C28 Fe3 70.6(7) . . ?
C27 C28 Fe3 70.4(7) . . ?
C29 C28 H4A 125.4 . . ?
C27 C28 H4A 125.4 . . ?
Fe3 C28 H4A 125.2 . . ?
C28 C29 C30 106.8(12) . . ?
C28 C29 Fe3 69.3(7) . . ?
C30 C29 Fe3 70.0(7) . . ?
C28 C29 H5A 126.6 . . ?
C30 C29 H5A 126.6 . . ?
Fe3 C29 H5A 125.7 . . ?
C29 C30 C31 108.3(11) . . ?
C29 C30 Fe3 69.3(7) . . ?
C31 C30 Fe3 69.6(7) . . ?
C29 C30 H6A 125.8 . . ?
C31 C30 H6A 125.8 . . ?
Fe3 C30 H6A 126.8 . . ?
C27 C31 C30 107.6(11) . . ?
C27 C31 Fe3 70.2(7) . . ?
C30 C31 Fe3 69.4(7) . . ?
C27 C31 H7A 126.2 . . ?
C30 C31 H7A 126.2 . . ?
Fe3 C31 H7A 125.8 . . ?
C36 C32 C33 107.4(12) . . ?
C36 C32 Fe3 70.5(8) . . ?
C33 C32 Fe3 69.4(7) . . ?
C36 C32 H8A 126.3 . . ?
C33 C32 H8A 126.3 . . ?
Fe3 C32 H8A 125.3 . . ?
C34 C33 C32 108.1(12) . . ?
C34 C33 Fe3 70.6(8) . . ?
C32 C33 Fe3 69.0(7) . . ?
C34 C33 H9A 126.0 . . ?
C32 C33 H9A 126.0 . . ?
Fe3 C33 H9A 125.9 . . ?
C33 C34 C35 106.9(13) . . ?
C33 C34 Fe3 69.0(8) . . ?
C35 C34 Fe3 70.2(8) . . ?
C33 C34 H10A 126.5 . . ?
C35 C34 H10A 126.5 . . ?
Fe3 C34 H10A 125.9 . . ?
C36 C35 C34 109.1(12) . . ?
C36 C35 Fe3 69.7(8) . . ?
C34 C35 Fe3 68.8(8) . . ?
C36 C35 H11A 125.5 . . ?
C34 C35 H11A 125.5 . . ?
Fe3 C35 H11A 127.6 . . ?
C35 C36 C32 108.6(12) . . ?
C35 C36 Fe3 71.2(8) . . ?
C32 C36 Fe3 68.6(7) . . ?
C35 C36 H12A 125.7 . . ?
C32 C36 H12A 125.7 . . ?
Fe3 C36 H12A 126.1 . . ?
C38 C37 P2 113.2(10) . . ?
C38 C37 H13A 108.9 . . ?
P2 C37 H13A 108.9 . . ?
C38 C37 H13B 108.9 . . ?
P2 C37 H13B 108.9 . . ?
H13A C37 H13B 107.7 . . ?
C39 C38 C37 114.2(11) . . ?
C39 C38 H14A 108.7 . . ?
C37 C38 H14A 108.7 . . ?
C39 C38 H14B 108.7 . . ?
C37 C38 H14B 108.7 . . ?
H14A C38 H14B 107.6 . . ?
C40 C39 C43 105.5(11) . . ?
C40 C39 C38 127.4(13) . . ?
C43 C39 C38 127.1(12) . . ?
C40 C39 Fe4 68.9(7) . . ?
C43 C39 Fe4 68.9(7) . . ?
C38 C39 Fe4 126.6(8) . . ?
C41 C40 C39 107.6(12) . . ?
C41 C40 Fe4 68.7(7) . . ?
C39 C40 Fe4 69.6(7) . . ?
C41 C40 H16A 126.2 . . ?
C39 C40 H16A 126.2 . . ?
Fe4 C40 H16A 127.0 . . ?
C42 C41 C40 107.9(11) . . ?
C42 C41 Fe4 70.0(8) . . ?
C40 C41 Fe4 70.0(7) . . ?
C42 C41 H17A 126.1 . . ?
C40 C41 H17A 126.1 . . ?
Fe4 C41 H17A 125.5 . . ?
C43 C42 C41 110.7(12) . . ?
C43 C42 Fe4 71.0(7) . . ?
C41 C42 Fe4 69.9(8) . . ?
C43 C42 H18A 124.6 . . ?
C41 C42 H18A 124.6 . . ?
Fe4 C42 H18A 126.0 . . ?
C42 C43 C39 108.2(11) . . ?
C42 C43 Fe4 69.5(7) . . ?
C39 C43 Fe4 69.4(7) . . ?
C42 C43 H19A 125.9 . . ?
C39 C43 H19A 125.9 . . ?
Fe4 C43 H19A 126.8 . . ?
C45 C44 C48 110.8(14) . . ?
C45 C44 Fe4 71.0(9) . . ?
C48 C44 Fe4 70.9(9) . . ?
C45 C44 H20A 124.6 . . ?
C48 C44 H20A 124.6 . . ?
Fe4 C44 H20A 125.1 . . ?
C44 C45 C46 107.5(14) . . ?
C44 C45 Fe4 69.3(9) . . ?
C46 C45 Fe4 69.6(8) . . ?
C44 C45 H21A 126.2 . . ?
C46 C45 H21A 126.2 . . ?
Fe4 C45 H21A 126.4 . . ?
C45 C46 C47 106.4(13) . . ?
C45 C46 Fe4 68.8(8) . . ?
C47 C46 Fe4 69.7(8) . . ?
C45 C46 H22A 126.8 . . ?
C47 C46 H22A 126.8 . . ?
Fe4 C46 H22A 126.2 . . ?
C48 C47 C46 107.2(14) . . ?
C48 C47 Fe4 69.2(8) . . ?
C46 C47 Fe4 68.6(8) . . ?
C48 C47 H23A 126.4 . . ?
C46 C47 H23A 126.4 . . ?
Fe4 C47 H23A 127.4 . . ?
C44 C48 C47 108.0(14) . . ?
C44 C48 Fe4 68.6(9) . . ?
C47 C48 Fe4 70.7(8) . . ?
C44 C48 H24A 126.0 . . ?
C47 C48 H24A 126.0 . . ?
Fe4 C48 H24A 126.2 . . ?
P1 Au1 Cl1 178.76(14) . . ?
C9 Fe1 C8 40.4(6) . . ?
C9 Fe1 C6 155.3(6) . . ?
C8 Fe1 C6 162.7(6) . . ?
C9 Fe1 C5 120.5(6) . . ?
C8 Fe1 C5 155.4(6) . . ?
C6 Fe1 C5 40.7(5) . . ?
C9 Fe1 C11 66.5(5) . . ?
C8 Fe1 C11 67.5(5) . . ?
C6 Fe1 C11 108.6(5) . . ?
C5 Fe1 C11 125.1(5) . . ?
C9 Fe1 C4 108.4(5) . . ?
C8 Fe1 C4 120.5(6) . . ?
C6 Fe1 C4 68.5(5) . . ?
C5 Fe1 C4 41.5(5) . . ?
C11 Fe1 C4 162.5(5) . . ?
C9 Fe1 C12 67.8(6) . . ?
C8 Fe1 C12 40.4(6) . . ?
C6 Fe1 C12 125.6(6) . . ?
C5 Fe1 C12 162.4(6) . . ?
C11 Fe1 C12 40.9(5) . . ?
C4 Fe1 C12 154.8(6) . . ?
C9 Fe1 C10 39.6(5) . . ?
C8 Fe1 C10 67.8(6) . . ?
C6 Fe1 C10 120.9(6) . . ?
C5 Fe1 C10 107.1(5) . . ?
C11 Fe1 C10 40.0(5) . . ?
C4 Fe1 C10 125.5(5) . . ?
C12 Fe1 C10 68.5(6) . . ?
C9 Fe1 C7 163.5(6) . . ?
C8 Fe1 C7 126.6(6) . . ?
C6 Fe1 C7 39.9(5) . . ?
C5 Fe1 C7 67.9(5) . . ?
C11 Fe1 C7 122.1(5) . . ?
C4 Fe1 C7 67.6(5) . . ?
C12 Fe1 C7 108.6(5) . . ?
C10 Fe1 C7 155.7(5) . . ?
C9 Fe1 C3 126.1(6) . . ?
C8 Fe1 C3 108.1(6) . . ?
C6 Fe1 C3 68.3(6) . . ?
C5 Fe1 C3 68.9(5) . . ?
C11 Fe1 C3 156.4(5) . . ?
C4 Fe1 C3 40.2(5) . . ?
C12 Fe1 C3 120.5(5) . . ?
C10 Fe1 C3 162.1(5) . . ?
C7 Fe1 C3 40.6(5) . . ?
C15 Fe2 C19 41.1(5) . . ?
C15 Fe2 C20 107.3(5) . . ?
C19 Fe2 C20 127.3(5) . . ?
C15 Fe2 C21 128.2(5) . . ?
C19 Fe2 C21 166.1(5) . . ?
C20 Fe2 C21 40.8(5) . . ?
C15 Fe2 C16 40.9(5) . . ?
C19 Fe2 C16 68.5(5) . . ?
C20 Fe2 C16 118.7(5) . . ?
C21 Fe2 C16 109.0(5) . . ?
C15 Fe2 C24 116.7(6) . . ?
C19 Fe2 C24 107.2(6) . . ?
C20 Fe2 C24 39.6(5) . . ?
C21 Fe2 C24 67.8(5) . . ?
C16 Fe2 C24 150.9(6) . . ?
C15 Fe2 C23 150.6(6) . . ?
C19 Fe2 C23 116.8(6) . . ?
C20 Fe2 C23 68.7(5) . . ?
C21 Fe2 C23 68.8(5) . . ?
C16 Fe2 C23 166.9(6) . . ?
C24 Fe2 C23 41.5(5) . . ?
C15 Fe2 C22 166.5(5) . . ?
C19 Fe2 C22 151.8(5) . . ?
C20 Fe2 C22 67.8(5) . . ?
C21 Fe2 C22 40.0(5) . . ?
C16 Fe2 C22 129.2(6) . . ?
C24 Fe2 C22 68.1(6) . . ?
C23 Fe2 C22 41.0(5) . . ?
C15 Fe2 C18 68.7(5) . . ?
C19 Fe2 C18 40.4(5) . . ?
C20 Fe2 C18 165.0(5) . . ?
C21 Fe2 C18 152.7(5) . . ?
C16 Fe2 C18 68.4(5) . . ?
C24 Fe2 C18 128.0(5) . . ?
C23 Fe2 C18 107.2(5) . . ?
C22 Fe2 C18 119.3(5) . . ?
C15 Fe2 C17 68.5(5) . . ?
C19 Fe2 C17 67.9(5) . . ?
C20 Fe2 C17 153.2(6) . . ?
C21 Fe2 C17 119.8(6) . . ?
C16 Fe2 C17 40.7(5) . . ?
C24 Fe2 C17 166.5(5) . . ?
C23 Fe2 C17 128.2(6) . . ?
C22 Fe2 C17 109.8(6) . . ?
C18 Fe2 C17 40.3(5) . . ?
C1 P1 C13 102.0(6) . . ?
C1 P1 Au1 114.2(5) . . ?
C13 P1 Au1 117.6(5) . . ?
C1 P1 H1P 107.5 . . ?
C13 P1 H1P 107.5 . . ?
Au1 P1 H1P 107.5 . . ?
C2 C1 P1 112.7(9) . . ?
C2 C1 H1A 109.0 . . ?
P1 C1 H1A 109.0 . . ?
C2 C1 H1B 109.0 . . ?
P1 C1 H1B 109.0 . . ?
H1A C1 H1B 107.8 . . ?
C3 C2 C1 111.8(11) . . ?
C3 C2 H2A 109.3 . . ?
C1 C2 H2A 109.3 . . ?
C3 C2 H2B 109.3 . . ?
C1 C2 H2B 109.3 . . ?
H2A C2 H2B 107.9 . . ?
C4 C3 C7 106.7(12) . . ?
C4 C3 C2 126.1(12) . . ?
C7 C3 C2 127.0(11) . . ?
C4 C3 Fe1 68.9(7) . . ?
C7 C3 Fe1 69.4(8) . . ?
C2 C3 Fe1 130.0(10) . . ?
C3 C4 C5 108.9(12) . . ?
C3 C4 Fe1 70.9(8) . . ?
C5 C4 Fe1 69.2(7) . . ?
C3 C4 H4 125.6 . . ?
C5 C4 H4 125.6 . . ?
Fe1 C4 H4 125.9 . . ?
C6 C5 C4 106.5(11) . . ?
C6 C5 Fe1 69.6(8) . . ?
C4 C5 Fe1 69.3(7) . . ?
C6 C5 H5 126.7 . . ?
C4 C5 H5 126.7 . . ?
Fe1 C5 H5 125.9 . . ?
C7 C6 C5 108.7(13) . . ?
C7 C6 Fe1 70.8(8) . . ?
C5 C6 Fe1 69.6(8) . . ?
C7 C6 H6 125.6 . . ?
C5 C6 H6 125.6 . . ?
Fe1 C6 H6 125.5 . . ?
C6 C7 C3 109.2(12) . . ?
C6 C7 Fe1 69.3(8) . . ?
C3 C7 Fe1 70.0(8) . . ?
C6 C7 H7 125.4 . . ?
C3 C7 H7 125.4 . . ?
Fe1 C7 H7 126.8 . . ?
C9 C8 C12 107.6(13) . . ?
C9 C8 Fe1 69.0(9) . . ?
C12 C8 Fe1 70.1(9) . . ?
C9 C8 H8 126.2 . . ?
C12 C8 H8 126.2 . . ?
Fe1 C8 H8 126.3 . . ?
C10 C9 C8 110.5(13) . . ?
C10 C9 Fe1 71.7(8) . . ?
C8 C9 Fe1 70.6(9) . . ?
C10 C9 H9 124.8 . . ?
C8 C9 H9 124.8 . . ?
Fe1 C9 H9 124.5 . . ?
C9 C10 C11 106.4(13) . . ?
C9 C10 Fe1 68.6(8) . . ?
C11 C10 Fe1 69.5(7) . . ?
C9 C10 H10 126.8 . . ?
C11 C10 H10 126.8 . . ?
Fe1 C10 H10 126.6 . . ?
C10 C11 C12 109.5(12) . . ?
C10 C11 Fe1 70.5(7) . . ?
C12 C11 Fe1 69.6(7) . . ?
C10 C11 H11 125.3 . . ?
C12 C11 H11 125.3 . . ?
Fe1 C11 H11 126.2 . . ?
C8 C12 C11 106.1(13) . . ?
C8 C12 Fe1 69.5(9) . . ?
C11 C12 Fe1 69.5(7) . . ?
C8 C12 H12 127.0 . . ?
C11 C12 H12 127.0 . . ?
Fe1 C12 H12 125.6 . . ?
C14 C13 P1 113.6(9) . . ?
C14 C13 H13C 108.9 . . ?
P1 C13 H13C 108.9 . . ?
C14 C13 H13D 108.9 . . ?
P1 C13 H13D 108.9 . . ?
H13C C13 H13D 107.7 . . ?
C15 C14 C13 114.8(11) . . ?
C15 C14 H14C 108.6 . . ?
C13 C14 H14C 108.6 . . ?
C15 C14 H14D 108.6 . . ?
C13 C14 H14D 108.6 . . ?
H14C C14 H14D 107.6 . . ?
C16 C15 C19 107.8(12) . . ?
C16 C15 C14 126.7(12) . . ?
C19 C15 C14 125.4(13) . . ?
C16 C15 Fe2 70.6(8) . . ?
C19 C15 Fe2 70.0(8) . . ?
C14 C15 Fe2 126.7(9) . . ?
C15 C16 C17 108.3(12) . . ?
C15 C16 Fe2 68.6(7) . . ?
C17 C16 Fe2 71.5(8) . . ?
C15 C16 H16 125.8 . . ?
C17 C16 H16 125.8 . . ?
Fe2 C16 H16 125.6 . . ?
C18 C17 C16 107.3(12) . . ?
C18 C17 Fe2 69.3(8) . . ?
C16 C17 Fe2 67.8(7) . . ?
C18 C17 H17 126.3 . . ?
C16 C17 H17 126.3 . . ?
Fe2 C17 H17 128.1 . . ?
C19 C18 C17 107.5(11) . . ?
C19 C18 Fe2 67.9(7) . . ?
C17 C18 Fe2 70.3(7) . . ?
C19 C18 H18 126.3 . . ?
C17 C18 H18 126.3 . . ?
Fe2 C18 H18 127.0 . . ?
C18 C19 C15 109.1(12) . . ?
C18 C19 Fe2 71.7(8) . . ?
C15 C19 Fe2 69.0(7) . . ?
C18 C19 H19 125.5 . . ?
C15 C19 H19 125.5 . . ?
Fe2 C19 H19 125.5 . . ?
C24 C20 C21 108.9(12) . . ?
C24 C20 Fe2 70.7(7) . . ?
C21 C20 Fe2 70.0(7) . . ?
C24 C20 H20 125.5 . . ?
C21 C20 H20 125.5 . . ?
Fe2 C20 H20 125.3 . . ?
C22 C21 C20 107.9(13) . . ?
C22 C21 Fe2 70.6(7) . . ?
C20 C21 Fe2 69.2(7) . . ?
C22 C21 H21 126.1 . . ?
C20 C21 H21 126.1 . . ?
Fe2 C21 H21 125.7 . . ?
C21 C22 C23 108.9(13) . . ?
C21 C22 Fe2 69.4(8) . . ?
C23 C22 Fe2 69.3(8) . . ?
C21 C22 H22 125.5 . . ?
C23 C22 H22 125.5 . . ?
Fe2 C22 H22 127.3 . . ?
C22 C23 C24 105.4(12) . . ?
C22 C23 Fe2 69.7(8) . . ?
C24 C23 Fe2 69.0(8) . . ?
C22 C23 H23 127.3 . . ?
C24 C23 H23 127.3 . . ?
Fe2 C23 H23 125.6 . . ?
C20 C24 C23 108.9(13) . . ?
C20 C24 Fe2 69.6(8) . . ?
C23 C24 Fe2 69.5(8) . . ?
C20 C24 H24 125.6 . . ?
C23 C24 H24 125.6 . . ?
Fe2 C24 H24 126.9 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C37 P2 C25 C26 178.6(11) . . . . ?
Au2 P2 C25 C26 51.4(13) . . . . ?
P2 C25 C26 C27 170.0(11) . . . . ?
C25 C26 C27 C31 -168.8(13) . . . . ?
C25 C26 C27 C28 14(2) . . . . ?
C25 C26 C27 Fe3 -76.3(17) . . . . ?
C31 C27 C28 C29 -0.7(15) . . . . ?
C26 C27 C28 C29 177.3(13) . . . . ?
Fe3 C27 C28 C29 -60.1(9) . . . . ?
C31 C27 C28 Fe3 59.4(9) . . . . ?
C26 C27 C28 Fe3 -122.6(14) . . . . ?
C27 C28 C29 C30 -0.2(15) . . . . ?
Fe3 C28 C29 C30 -60.2(9) . . . . ?
C27 C28 C29 Fe3 60.0(9) . . . . ?
C28 C29 C30 C31 0.9(15) . . . . ?
Fe3 C29 C30 C31 -58.8(9) . . . . ?
C28 C29 C30 Fe3 59.8(9) . . . . ?
C28 C27 C31 C30 1.3(14) . . . . ?
C26 C27 C31 C30 -176.7(13) . . . . ?
Fe3 C27 C31 C30 59.5(9) . . . . ?
C28 C27 C31 Fe3 -58.3(9) . . . . ?
C26 C27 C31 Fe3 123.8(14) . . . . ?
C29 C30 C31 C27 -1.4(14) . . . . ?
Fe3 C30 C31 C27 -60.0(9) . . . . ?
C29 C30 C31 Fe3 58.6(9) . . . . ?
C36 C32 C33 C34 -0.5(15) . . . . ?
Fe3 C32 C33 C34 60.1(10) . . . . ?
C36 C32 C33 Fe3 -60.6(9) . . . . ?
C32 C33 C34 C35 1.1(16) . . . . ?
Fe3 C33 C34 C35 60.2(10) . . . . ?
C32 C33 C34 Fe3 -59.1(9) . . . . ?
C33 C34 C35 C36 -1.3(17) . . . . ?
Fe3 C34 C35 C36 58.1(10) . . . . ?
C33 C34 C35 Fe3 -59.4(10) . . . . ?
C34 C35 C36 C32 1.0(16) . . . . ?
Fe3 C35 C36 C32 58.6(9) . . . . ?
C34 C35 C36 Fe3 -57.6(10) . . . . ?
C33 C32 C36 C35 -0.3(15) . . . . ?
Fe3 C32 C36 C35 -60.2(10) . . . . ?
C33 C32 C36 Fe3 59.9(9) . . . . ?
C25 P2 C37 C38 176.1(10) . . . . ?
Au2 P2 C37 C38 -55.9(10) . . . . ?
P2 C37 C38 C39 -49.9(14) . . . . ?
C37 C38 C39 C40 107.9(14) . . . . ?
C37 C38 C39 C43 -71.9(16) . . . . ?
C37 C38 C39 Fe4 -161.8(9) . . . . ?
C43 C39 C40 C41 -1.1(13) . . . . ?
C38 C39 C40 C41 179.1(12) . . . . ?
Fe4 C39 C40 C41 58.4(9) . . . . ?
C43 C39 C40 Fe4 -59.5(8) . . . . ?
C38 C39 C40 Fe4 120.7(12) . . . . ?
C39 C40 C41 C42 1.1(15) . . . . ?
Fe4 C40 C41 C42 60.1(9) . . . . ?
C39 C40 C41 Fe4 -59.0(8) . . . . ?
C40 C41 C42 C43 -0.7(15) . . . . ?
Fe4 C41 C42 C43 59.4(9) . . . . ?
C40 C41 C42 Fe4 -60.1(9) . . . . ?
C41 C42 C43 C39 0.0(15) . . . . ?
Fe4 C42 C43 C39 58.7(8) . . . . ?
C41 C42 C43 Fe4 -58.8(10) . . . . ?
C40 C39 C43 C42 0.7(13) . . . . ?
C38 C39 C43 C42 -179.5(11) . . . . ?
Fe4 C39 C43 C42 -58.8(8) . . . . ?
C40 C39 C43 Fe4 59.5(8) . . . . ?
C38 C39 C43 Fe4 -120.6(12) . . . . ?
C48 C44 C45 C46 0.5(17) . . . . ?
Fe4 C44 C45 C46 -59.4(10) . . . . ?
C48 C44 C45 Fe4 59.9(11) . . . . ?
C44 C45 C46 C47 -0.8(16) . . . . ?
Fe4 C45 C46 C47 -59.9(9) . . . . ?
C44 C45 C46 Fe4 59.1(10) . . . . ?
C45 C46 C47 C48 0.8(15) . . . . ?
Fe4 C46 C47 C48 -58.6(9) . . . . ?
C45 C46 C47 Fe4 59.3(9) . . . . ?
C45 C44 C48 C47 0.0(17) . . . . ?
Fe4 C44 C48 C47 60.0(10) . . . . ?
C45 C44 C48 Fe4 -60.0(11) . . . . ?
C46 C47 C48 C44 -0.5(16) . . . . ?
Fe4 C47 C48 C44 -58.7(10) . . . . ?
C46 C47 C48 Fe4 58.2(9) . . . . ?
C13 P1 C1 C2 -178.6(10) . . . . ?
Au1 P1 C1 C2 -50.6(11) . . . . ?
P1 C1 C2 C3 -177.4(10) . . . . ?
C1 C2 C3 C4 174.1(13) . . . . ?
C1 C2 C3 C7 -11(2) . . . . ?
C1 C2 C3 Fe1 82.4(14) . . . . ?
C7 C3 C4 C5 0.4(15) . . . . ?
C2 C3 C4 C5 176.2(13) . . . . ?
Fe1 C3 C4 C5 -59.0(9) . . . . ?
C7 C3 C4 Fe1 59.4(9) . . . . ?
C2 C3 C4 Fe1 -124.8(14) . . . . ?
C3 C4 C5 C6 0.1(15) . . . . ?
Fe1 C4 C5 C6 -60.0(9) . . . . ?
C3 C4 C5 Fe1 60.1(9) . . . . ?
C4 C5 C6 C7 -0.5(15) . . . . ?
Fe1 C5 C6 C7 -60.3(10) . . . . ?
C4 C5 C6 Fe1 59.8(9) . . . . ?
C5 C6 C7 C3 0.7(16) . . . . ?
Fe1 C6 C7 C3 -58.8(10) . . . . ?
C5 C6 C7 Fe1 59.5(10) . . . . ?
C4 C3 C7 C6 -0.7(15) . . . . ?
C2 C3 C7 C6 -176.4(13) . . . . ?
Fe1 C3 C7 C6 58.4(10) . . . . ?
C4 C3 C7 Fe1 -59.0(9) . . . . ?
C2 C3 C7 Fe1 125.2(14) . . . . ?
C12 C8 C9 C10 1.2(17) . . . . ?
Fe1 C8 C9 C10 60.9(10) . . . . ?
C12 C8 C9 Fe1 -59.7(10) . . . . ?
C8 C9 C10 C11 -0.7(16) . . . . ?
Fe1 C9 C10 C11 59.6(9) . . . . ?
C8 C9 C10 Fe1 -60.3(10) . . . . ?
C9 C10 C11 C12 -0.1(15) . . . . ?
Fe1 C10 C11 C12 58.9(9) . . . . ?
C9 C10 C11 Fe1 -59.0(9) . . . . ?
C9 C8 C12 C11 -1.2(15) . . . . ?
Fe1 C8 C12 C11 -60.2(9) . . . . ?
C9 C8 C12 Fe1 59.0(10) . . . . ?
C10 C11 C12 C8 0.8(15) . . . . ?
Fe1 C11 C12 C8 60.2(10) . . . . ?
C10 C11 C12 Fe1 -59.4(9) . . . . ?
C1 P1 C13 C14 -175.3(10) . . . . ?
Au1 P1 C13 C14 58.8(11) . . . . ?
P1 C13 C14 C15 41.8(15) . . . . ?
C13 C14 C15 C16 68.4(17) . . . . ?
C13 C14 C15 C19 -109.1(15) . . . . ?
C13 C14 C15 Fe2 160.6(9) . . . . ?
C19 C15 C16 C17 0.5(15) . . . . ?
C14 C15 C16 C17 -177.4(11) . . . . ?
Fe2 C15 C16 C17 60.8(9) . . . . ?
C19 C15 C16 Fe2 -60.3(9) . . . . ?
C14 C15 C16 Fe2 121.8(13) . . . . ?
C15 C16 C17 C18 -0.7(15) . . . . ?
Fe2 C16 C17 C18 58.2(9) . . . . ?
C15 C16 C17 Fe2 -58.9(9) . . . . ?
C16 C17 C18 C19 0.7(15) . . . . ?
Fe2 C17 C18 C19 57.9(9) . . . . ?
C16 C17 C18 Fe2 -57.2(9) . . . . ?
C17 C18 C19 C15 -0.4(15) . . . . ?
Fe2 C18 C19 C15 59.0(9) . . . . ?
C17 C18 C19 Fe2 -59.5(9) . . . . ?
C16 C15 C19 C18 0.0(15) . . . . ?
C14 C15 C19 C18 177.9(12) . . . . ?
Fe2 C15 C19 C18 -60.7(10) . . . . ?
C16 C15 C19 Fe2 60.7(9) . . . . ?
C14 C15 C19 Fe2 -121.4(12) . . . . ?
C24 C20 C21 C22 0.0(15) . . . . ?
Fe2 C20 C21 C22 -60.3(9) . . . . ?
C24 C20 C21 Fe2 60.2(9) . . . . ?
C20 C21 C22 C23 1.2(15) . . . . ?
Fe2 C21 C22 C23 -58.2(9) . . . . ?
C20 C21 C22 Fe2 59.4(9) . . . . ?
C21 C22 C23 C24 -1.9(15) . . . . ?
Fe2 C22 C23 C24 -60.1(9) . . . . ?
C21 C22 C23 Fe2 58.2(9) . . . . ?
C21 C20 C24 C23 -1.2(15) . . . . ?
Fe2 C20 C24 C23 58.6(9) . . . . ?
C21 C20 C24 Fe2 -59.8(9) . . . . ?
C22 C23 C24 C20 1.9(15) . . . . ?
Fe2 C23 C24 C20 -58.6(9) . . . . ?
C22 C23 C24 Fe2 60.6(9) . . . . ?

_refine_diff_density_max         2.113
_refine_diff_density_min         -3.057
_refine_diff_density_rms         0.421

_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Bruker Apex2'
_diffrn_measurement_device       'κ-geometry diffractometer'

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_b15201
_database_code_depnum_ccdc_archive 'CCDC 1429842'
_audit_update_record             
;
2015-10-06 deposited with the CCDC.
2016-01-06 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C144 H156 Cl4 Cu4 Fe12 P4'
_chemical_formula_weight         3076.72
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   19.202(9)
_cell_length_b                   25.786(10)
_cell_length_c                   29.561(16)
_cell_angle_alpha                68.256(9)
_cell_angle_beta                 72.394(13)
_cell_angle_gamma                89.502(8)
_cell_volume                     12870(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    9500
_cell_measurement_theta_min      2.60
_cell_measurement_theta_max      31.68
_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_F_000             6304
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.423
_exptl_crystal_size_min          0.39
_exptl_absorpt_coefficient_mu    2.135
_shelx_estimated_absorpt_T_min   0.6583
_shelx_estimated_absorpt_T_max   0.7463
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6583
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      110
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            220430
_diffrn_reflns_av_unetI/netI     0.0361
_diffrn_reflns_av_R_equivalents  0.0306
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_theta_min         1.120
_diffrn_reflns_theta_max         28.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             61418
_reflns_number_gt                48680
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       Apex2
_computing_cell_refinement       SAINT
_computing_data_reduction        SAINT
_computing_structure_solution    SHELXT
_computing_structure_refinement  SHELXL-2014
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0814P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         61418
_refine_ls_number_parameters     3048
_refine_ls_number_restraints     160
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0355
_refine_ls_wR_factor_ref         0.1285
_refine_ls_wR_factor_gt          0.1028
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_restrained_S_all      1.091
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.72800(2) 0.64896(2) 0.26753(2) 0.02369(8) Uani 1 1 d . . . . .
Cu2 Cu 0.82655(2) 0.68881(2) 0.14932(2) 0.02171(8) Uani 1 1 d . . . . .
Cu3 Cu 0.85998(2) 0.58112(2) 0.24046(2) 0.02574(9) Uani 1 1 d . . . . .
Cu4 Cu 0.90041(2) 0.70781(2) 0.23192(2) 0.01883(8) Uani 1 1 d . . . . .
Cu5 Cu 1.34819(2) 0.05670(2) 0.24880(2) 0.02031(8) Uani 1 1 d . . . . .
Cu6 Cu 1.38621(2) 0.18662(2) 0.23790(2) 0.01945(8) Uani 1 1 d . . . . .
Cu7 Cu 1.26562(2) 0.16158(2) 0.19110(2) 0.01924(8) Uani 1 1 d . . . . .
Cu8 Cu 1.22884(2) 0.11250(2) 0.31622(2) 0.02083(8) Uani 1 1 d . . . . .
Fe1 Fe 0.67469(2) 0.43696(2) 0.48666(2) 0.02544(10) Uani 1 1 d . . . . .
Fe2 Fe 0.41181(3) 0.53217(2) 0.28364(2) 0.03762(12) Uani 1 1 d . . . . .
Fe4 Fe 1.04076(2) 0.83301(2) 0.01776(2) 0.02061(9) Uani 1 1 d . . . . .
Fe5 Fe 0.68271(2) 0.50482(2) 0.11341(2) 0.01724(8) Uani 1 1 d . . . . .
Fe6 Fe 0.51935(2) 0.81138(2) 0.13720(2) 0.02109(9) Uani 1 1 d . . . . .
Fe7 Fe 0.68225(2) 0.31025(2) 0.33799(2) 0.01862(9) Uani 1 1 d . . . . .
Fe8 Fe 1.05144(2) 0.53522(2) 0.39302(2) 0.01735(8) Uani 1 1 d . . . . .
Fe9 Fe 1.05540(2) 0.46833(2) 0.08037(2) 0.01520(8) Uani 1 1 d . . . . .
Fe10 Fe 1.22573(2) 0.65381(2) 0.15282(2) 0.01825(9) Uani 1 1 d . . . . .
Fe11 Fe 0.80303(3) 0.94623(2) 0.15599(2) 0.02943(11) Uani 1 1 d . . . . .
Fe12 Fe 0.83102(2) 0.66782(2) 0.46633(2) 0.02019(9) Uani 1 1 d . . . . .
Fe13 Fe 1.23749(2) -0.22553(2) 0.34594(2) 0.02007(9) Uani 1 1 d . . . . .
Fe14 Fe 1.62586(2) 0.07508(2) 0.27822(2) 0.01961(9) Uani 1 1 d . . . . .
Fe15 Fe 1.59159(2) 0.07919(2) 0.04759(2) 0.01797(9) Uani 1 1 d . . . . .
Fe16 Fe 1.34905(2) 0.20146(2) 0.42680(2) 0.02084(9) Uani 1 1 d . . . . .
Fe17 Fe 1.74351(2) 0.28922(2) 0.09926(2) 0.01431(8) Uani 1 1 d . . . . .
Fe18 Fe 1.21536(2) 0.39135(2) 0.21321(2) 0.01952(9) Uani 1 1 d . . . . .
Fe19 Fe 0.95885(2) 0.19809(2) 0.23057(2) 0.01795(9) Uani 1 1 d . . . . .
Fe20 Fe 1.50349(2) 0.37512(2) -0.01057(2) 0.01453(8) Uani 1 1 d . . . . .
Fe21 Fe 1.19807(2) -0.01353(2) 0.10403(2) 0.01910(9) Uani 1 1 d . . . . .
Fe22 Fe 0.94736(2) -0.04049(2) 0.33494(2) 0.02121(9) Uani 1 1 d . . . . .
Fe23 Fe 0.96474(2) 0.22595(2) 0.45829(2) 0.01954(9) Uani 1 1 d . . . . .
Cl1 Cl 0.75430(4) 0.59728(3) 0.21194(3) 0.01920(14) Uani 1 1 d . . . . .
Cl2 Cl 0.78830(4) 0.73608(3) 0.20780(3) 0.01763(13) Uani 1 1 d . . . . .
Cl3 Cl 0.83661(4) 0.62312(3) 0.30295(2) 0.01779(13) Uani 1 1 d . . . . .
Cl4 Cl 0.93836(4) 0.66645(3) 0.16814(3) 0.01865(13) Uani 1 1 d . . . . .
Cl5 Cl 1.39798(4) 0.14777(3) 0.17540(2) 0.01649(13) Uani 1 1 d . . . . .
Cl6 Cl 1.35466(4) 0.09877(3) 0.31068(2) 0.01664(13) Uani 1 1 d . . . . .
Cl7 Cl 1.22472(4) 0.06697(2) 0.25043(2) 0.01728(13) Uani 1 1 d . . . . .
Cl8 Cl 1.25177(4) 0.20333(2) 0.25422(2) 0.01591(13) Uani 1 1 d . . . . .
P1 P 0.62826(4) 0.61838(3) 0.33316(3) 0.02543(17) Uani 1 1 d . U . . .
P2 P 0.80563(4) 0.71475(3) 0.07599(3) 0.01646(14) Uani 1 1 d . . . . .
P3 P 0.89878(4) 0.49875(3) 0.25718(3) 0.01666(14) Uani 1 1 d . . . . .
P4 P 0.97671(4) 0.76533(3) 0.23818(3) 0.01364(13) Uani 1 1 d . . . . .
P5 P 1.40272(4) -0.01767(3) 0.24762(3) 0.01556(14) Uani 1 1 d . . . . .
P6 P 1.45732(4) 0.25922(3) 0.22568(3) 0.01501(14) Uani 1 1 d . . . . .
P7 P 1.23962(4) 0.20471(3) 0.12034(3) 0.01485(14) Uani 1 1 d . . . . .
P8 P 1.13902(4) 0.06150(3) 0.38417(3) 0.01573(14) Uani 1 1 d . . . . .
C1 C 0.64221(18) 0.56051(12) 0.38735(11) 0.0242(6) Uani 1 1 d . . . . .
H1A H 0.6785 0.5738 0.3986 0.029 Uiso 1 1 calc R U . . .
H1B H 0.5964 0.5483 0.4158 0.029 Uiso 1 1 calc R U . . .
C2 C 0.6681(2) 0.51043(12) 0.37337(12) 0.0267(7) Uani 1 1 d . . . . .
H2A H 0.6259 0.4892 0.3743 0.032 Uiso 1 1 calc R U . . .
H2B H 0.7017 0.5246 0.3384 0.032 Uiso 1 1 calc R U . . .
C3 C 0.70555(17) 0.47146(12) 0.40786(11) 0.0231(6) Uani 1 1 d . . . . .
C4 C 0.6957(2) 0.41177(13) 0.42729(13) 0.0346(8) Uani 1 1 d . . . . .
H4 H 0.6625 0.3900 0.4225 0.042 Uiso 1 1 calc R U . . .
C5 C 0.7454(2) 0.39092(14) 0.45538(13) 0.0347(8) Uani 1 1 d . . . . .
H5 H 0.7506 0.3533 0.4717 0.042 Uiso 1 1 calc R U . . .
C6 C 0.78483(18) 0.43712(15) 0.45415(13) 0.0344(8) Uani 1 1 d . . . . .
H6 H 0.8206 0.4356 0.4698 0.041 Uiso 1 1 calc R U . . .
C7 C 0.76068(17) 0.48654(14) 0.42500(12) 0.0276(7) Uani 1 1 d . . . . .
H7 H 0.7782 0.5231 0.4182 0.033 Uiso 1 1 calc R U . . .
C8 C 0.6183(3) 0.48149(19) 0.52680(17) 0.0738(18) Uani 1 1 d . . . . .
H8 H 0.6243 0.5203 0.5168 0.089 Uiso 1 1 calc R U . . .
C9 C 0.5708(2) 0.4508(2) 0.51606(17) 0.0634(14) Uani 1 1 d . . . . .
H9 H 0.5394 0.4660 0.4972 0.076 Uiso 1 1 calc R U . . .
C10 C 0.5771(2) 0.3959(2) 0.53700(17) 0.0597(13) Uani 1 1 d . . . . .
H10 H 0.5510 0.3673 0.5347 0.072 Uiso 1 1 calc R U . . .
C11 C 0.6271(2) 0.3884(2) 0.56195(14) 0.0589(14) Uani 1 1 d . . . . .
H11 H 0.6402 0.3538 0.5799 0.071 Uiso 1 1 calc R U . . .
C12 C 0.6567(3) 0.4413(3) 0.55658(17) 0.0753(18) Uani 1 1 d . . . . .
H12 H 0.6926 0.4486 0.5693 0.090 Uiso 1 1 calc R U . . .
C15 C 0.47316(19) 0.60702(15) 0.26452(13) 0.0343(8) Uani 1 1 d . . . . .
C16 C 0.4638(2) 0.60287(17) 0.22048(14) 0.0419(9) Uani 1 1 d . . . . .
H16 H 0.5015 0.6041 0.1915 0.050 Uiso 1 1 calc R U . . .
C17 C 0.3871(2) 0.59650(19) 0.22764(15) 0.0499(11) Uani 1 1 d . . . . .
H17 H 0.3660 0.5925 0.2045 0.060 Uiso 1 1 calc R U . . .
C18 C 0.3489(2) 0.59732(18) 0.27673(15) 0.0447(10) Uani 1 1 d . . . . .
H18 H 0.2981 0.5946 0.2912 0.054 Uiso 1 1 calc R U . . .
C19 C 0.40203(19) 0.60293(15) 0.29955(14) 0.0373(8) Uani 1 1 d . . . . .
H19 H 0.3920 0.6038 0.3321 0.045 Uiso 1 1 calc R U . . .
C20 C 0.4725(2) 0.46798(17) 0.30601(19) 0.0559(12) Uani 1 1 d . . . . .
H20 H 0.5218 0.4718 0.3035 0.067 Uiso 1 1 calc R U . . .
C21 C 0.4456(3) 0.46327(18) 0.26893(18) 0.0613(13) Uani 1 1 d . . . . .
H21 H 0.4740 0.4634 0.2372 0.074 Uiso 1 1 calc R U . . .
C22 C 0.3684(2) 0.4583(2) 0.28719(16) 0.0587(12) Uani 1 1 d . . . . .
H22 H 0.3368 0.4549 0.2698 0.070 Uiso 1 1 calc R U . . .
C23 C 0.3481(2) 0.4595(2) 0.33598(16) 0.0592(12) Uani 1 1 d . . . . .
H23 H 0.3001 0.4565 0.3571 0.071 Uiso 1 1 calc R U . . .
C24 C 0.4118(3) 0.46590(18) 0.34828(17) 0.0559(12) Uani 1 1 d . . . . .
H24 H 0.4137 0.4683 0.3785 0.067 Uiso 1 1 calc R U . . .
C37 C 0.88423(16) 0.74876(12) 0.01725(11) 0.0210(6) Uani 1 1 d . . . . .
H37A H 0.8731 0.7452 -0.0114 0.025 Uiso 1 1 calc R U . . .
H37B H 0.8909 0.7885 0.0104 0.025 Uiso 1 1 calc R U . . .
C38 C 0.95646(16) 0.72399(12) 0.02045(11) 0.0210(6) Uani 1 1 d . . . . .
H38A H 0.9507 0.7019 0.0563 0.025 Uiso 1 1 calc R U . . .
H38B H 0.9652 0.6987 0.0024 0.025 Uiso 1 1 calc R U . . .
C39 C 1.02285(16) 0.76666(11) -0.00150(11) 0.0188(6) Uani 1 1 d . . . . .
C40 C 1.08334(17) 0.76037(12) 0.01778(12) 0.0234(6) Uani 1 1 d . . . . .
H40 H 1.0868 0.7305 0.0464 0.028 Uiso 1 1 calc R U . . .
C41 C 1.13748(18) 0.80723(13) -0.01399(14) 0.0309(7) Uani 1 1 d . . . . .
H41 H 1.1824 0.8134 -0.0099 0.037 Uiso 1 1 calc R U . . .
C42 C 1.11077(18) 0.84270(12) -0.05282(12) 0.0280(7) Uani 1 1 d . . . . .
H42 H 1.1353 0.8764 -0.0789 0.034 Uiso 1 1 calc R U . . .
C43 C 1.04007(18) 0.81834(12) -0.04546(11) 0.0233(6) Uani 1 1 d . . . . .
H43 H 1.0103 0.8334 -0.0657 0.028 Uiso 1 1 calc R U . . .
C44 C 1.0028(2) 0.82518(14) 0.09233(12) 0.0333(8) Uani 1 1 d . . . . .
H44 H 1.0022 0.7932 0.1207 0.040 Uiso 1 1 calc R U . . .
C45 C 1.0608(2) 0.86963(14) 0.06377(13) 0.0366(8) Uani 1 1 d . . . . .
H45 H 1.1049 0.8721 0.0703 0.044 Uiso 1 1 calc R U . . .
C46 C 1.0402(2) 0.90947(13) 0.02383(13) 0.0406(10) Uani 1 1 d . . . . .
H46 H 1.0684 0.9427 -0.0007 0.049 Uiso 1 1 calc R U . . .
C47 C 0.9693(2) 0.89024(14) 0.02741(13) 0.0379(9) Uani 1 1 d . . . . .
H47 H 0.9427 0.9084 0.0057 0.045 Uiso 1 1 calc R U . . .
C48 C 0.9460(2) 0.83787(14) 0.07033(13) 0.0325(8) Uani 1 1 d . . . . .
H48 H 0.9012 0.8159 0.0818 0.039 Uiso 1 1 calc R U . . .
C49 C 0.76680(16) 0.65617(11) 0.06673(11) 0.0204(6) Uani 1 1 d . . . . .
H49A H 0.7172 0.6436 0.0906 0.024 Uiso 1 1 calc R U . . .
H49B H 0.7639 0.6693 0.0321 0.024 Uiso 1 1 calc R U . . .
C50 C 0.81210(17) 0.60662(11) 0.07487(12) 0.0220(6) Uani 1 1 d . . . . .
H50A H 0.8610 0.6191 0.0499 0.026 Uiso 1 1 calc R U . . .
H50B H 0.8171 0.5951 0.1088 0.026 Uiso 1 1 calc R U . . .
C51 C 0.78049(16) 0.55624(12) 0.07025(11) 0.0210(6) Uani 1 1 d . . . . .
C52 C 0.73859(17) 0.55463(12) 0.03824(11) 0.0214(6) Uani 1 1 d . . . . .
H52 H 0.7228 0.5855 0.0168 0.026 Uiso 1 1 calc R U . . .
C53 C 0.72508(18) 0.49759(13) 0.04465(12) 0.0267(7) Uani 1 1 d . . . . .
H53 H 0.6986 0.4847 0.0285 0.032 Uiso 1 1 calc R U . . .
C54 C 0.75909(18) 0.46415(13) 0.07999(13) 0.0278(7) Uani 1 1 d . . . . .
H54 H 0.7590 0.4254 0.0909 0.033 Uiso 1 1 calc R U . . .
C55 C 0.79334(17) 0.49960(12) 0.09597(13) 0.0262(7) Uani 1 1 d . . . . .
H55 H 0.8196 0.4881 0.1191 0.031 Uiso 1 1 calc R U . . .
C56 C 0.62290(17) 0.53523(13) 0.16617(11) 0.0249(6) Uani 1 1 d . . . . .
H56 H 0.6363 0.5679 0.1695 0.030 Uiso 1 1 calc R U . . .
C57 C 0.58191(16) 0.53146(12) 0.13443(11) 0.0215(6) Uani 1 1 d . . . . .
H57 H 0.5637 0.5610 0.1135 0.026 Uiso 1 1 calc R U . . .
C58 C 0.57393(17) 0.47419(12) 0.14057(11) 0.0248(6) Uani 1 1 d . . . . .
H58 H 0.5496 0.4597 0.1243 0.030 Uiso 1 1 calc R U . . .
C59 C 0.60954(19) 0.44337(13) 0.17579(12) 0.0292(7) Uani 1 1 d . . . . .
H59 H 0.6127 0.4049 0.1867 0.035 Uiso 1 1 calc R U . . .
C60 C 0.63971(18) 0.48110(14) 0.19167(12) 0.0302(7) Uani 1 1 d . . . . .
H60 H 0.6659 0.4717 0.2148 0.036 Uiso 1 1 calc R U . . .
C61 C 0.73842(16) 0.76498(12) 0.06503(11) 0.0210(6) Uani 1 1 d . . . . .
H61A H 0.7623 0.8025 0.0543 0.025 Uiso 1 1 calc R U . . .
H61B H 0.7231 0.7639 0.0370 0.025 Uiso 1 1 calc R U . . .
C62 C 0.66978(17) 0.75425(12) 0.11197(11) 0.0238(6) Uani 1 1 d . . . . .
H62A H 0.6497 0.7150 0.1267 0.029 Uiso 1 1 calc R U . . .
H62B H 0.6829 0.7626 0.1380 0.029 Uiso 1 1 calc R U . . .
C63 C 0.61333(16) 0.79078(11) 0.09587(11) 0.0199(6) Uani 1 1 d . . . . .
C64 C 0.61645(16) 0.85037(12) 0.08182(11) 0.0209(6) Uani 1 1 d . . . . .
H64 H 0.6516 0.8729 0.0842 0.025 Uiso 1 1 calc R U . . .
C65 C 0.55697(19) 0.86907(13) 0.06366(12) 0.0273(7) Uani 1 1 d . . . . .
H65 H 0.5463 0.9060 0.0521 0.033 Uiso 1 1 calc R U . . .
C66 C 0.51637(19) 0.82206(14) 0.06595(13) 0.0317(7) Uani 1 1 d . . . . .
H66 H 0.4742 0.8225 0.0566 0.038 Uiso 1 1 calc R U . . .
C67 C 0.55185(18) 0.77423(13) 0.08517(13) 0.0275(7) Uani 1 1 d . . . . .
H67 H 0.5371 0.7378 0.0900 0.033 Uiso 1 1 calc R U . . .
C68 C 0.5128(2) 0.77765(15) 0.21264(13) 0.0439(10) Uani 1 1 d . . . . .
H68 H 0.5477 0.7577 0.2257 0.053 Uiso 1 1 calc R U . . .
C69 C 0.5112(2) 0.83640(15) 0.19618(13) 0.0365(8) Uani 1 1 d . . . . .
H69 H 0.5445 0.8617 0.1970 0.044 Uiso 1 1 calc R U . . .
C70 C 0.45005(19) 0.85037(15) 0.17811(15) 0.0372(8) Uani 1 1 d . . . . .
H70 H 0.4367 0.8863 0.1648 0.045 Uiso 1 1 calc R U . . .
C71 C 0.4127(2) 0.79920(17) 0.18416(17) 0.0502(11) Uani 1 1 d . . . . .
H71 H 0.3707 0.7958 0.1756 0.060 Uiso 1 1 calc R U . . .
C72 C 0.4520(3) 0.75446(16) 0.20567(15) 0.0537(12) Uani 1 1 d . . . . .
H72 H 0.4398 0.7165 0.2138 0.064 Uiso 1 1 calc R U . . .
C73 C 0.83850(17) 0.44049(13) 0.26116(12) 0.0264(7) Uani 1 1 d . . . . .
H73A H 0.8420 0.4443 0.2266 0.032 Uiso 1 1 calc R U . . .
H73B H 0.8558 0.4051 0.2774 0.032 Uiso 1 1 calc R U . . .
C74 C 0.75951(17) 0.43923(13) 0.29093(12) 0.0263(7) Uani 1 1 d . . . . .
H74A H 0.7435 0.4757 0.2763 0.032 Uiso 1 1 calc R U . . .
H74B H 0.7557 0.4326 0.3262 0.032 Uiso 1 1 calc R U . . .
C75 C 0.70871(18) 0.39469(12) 0.29116(11) 0.0255(7) Uani 1 1 d . . . . .
C76 C 0.63328(19) 0.38263(12) 0.31888(12) 0.0290(7) Uani 1 1 d . . . . .
H76 H 0.6077 0.3986 0.3416 0.035 Uiso 1 1 calc R U . . .
C77 C 0.60291(19) 0.34234(12) 0.30644(12) 0.0280(7) Uani 1 1 d . . . . .
H77 H 0.5536 0.3279 0.3192 0.034 Uiso 1 1 calc R U . . .
C78 C 0.65903(18) 0.32734(12) 0.27164(11) 0.0259(7) Uani 1 1 d . . . . .
H78 H 0.6539 0.3009 0.2580 0.031 Uiso 1 1 calc R U . . .
C79 C 0.72526(19) 0.36068(13) 0.26139(12) 0.0287(7) Uani 1 1 d . . . . .
H79 H 0.7712 0.3603 0.2392 0.034 Uiso 1 1 calc R U . . .
C80 C 0.73791(18) 0.29232(13) 0.38991(12) 0.0259(7) Uani 1 1 d . . . . .
H80 H 0.7684 0.3175 0.3933 0.031 Uiso 1 1 calc R U . . .
C81 C 0.66082(18) 0.27810(12) 0.41590(11) 0.0251(7) Uani 1 1 d . . . . .
H81 H 0.6322 0.2925 0.4390 0.030 Uiso 1 1 calc R U . . .
C82 C 0.6354(2) 0.23792(12) 0.40031(13) 0.0324(8) Uani 1 1 d . . . . .
H82 H 0.5872 0.2215 0.4113 0.039 Uiso 1 1 calc R U . . .
C83 C 0.6967(2) 0.22744(13) 0.36504(14) 0.0366(9) Uani 1 1 d . . . . .
H83 H 0.6957 0.2025 0.3491 0.044 Uiso 1 1 calc R U . . .
C84 C 0.7601(2) 0.26162(14) 0.35817(14) 0.0325(7) Uani 1 1 d . . . . .
H84 H 0.8075 0.2633 0.3367 0.039 Uiso 1 1 calc R U . . .
C85 C 0.91930(16) 0.47054(11) 0.31749(10) 0.0196(6) Uani 1 1 d . . . . .
H85A H 0.8751 0.4666 0.3458 0.024 Uiso 1 1 calc R U . . .
H85B H 0.9351 0.4336 0.3226 0.024 Uiso 1 1 calc R U . . .
C86 C 0.98047(16) 0.50964(11) 0.31726(10) 0.0183(6) Uani 1 1 d . . . . .
H86A H 1.0282 0.5009 0.3004 0.022 Uiso 1 1 calc R U . . .
H86B H 0.9760 0.5484 0.2976 0.022 Uiso 1 1 calc R U . . .
C87 C 0.97595(16) 0.50329(11) 0.37038(10) 0.0177(6) Uani 1 1 d . . . . .
C88 C 0.94396(15) 0.53983(12) 0.39488(11) 0.0196(6) Uani 1 1 d . . . . .
H88 H 0.9237 0.5722 0.3802 0.023 Uiso 1 1 calc R U . . .
C89 C 0.94814(17) 0.51878(13) 0.44541(12) 0.0257(7) Uani 1 1 d . . . . .
H89 H 0.9311 0.5347 0.4697 0.031 Uiso 1 1 calc R U . . .
C90 C 0.98302(18) 0.46893(13) 0.45237(11) 0.0274(7) Uani 1 1 d . . . . .
H90 H 0.9930 0.4466 0.4821 0.033 Uiso 1 1 calc R U . . .
C91 C 1.00003(18) 0.45911(12) 0.40627(12) 0.0242(6) Uani 1 1 d . . . . .
H91 H 1.0228 0.4291 0.4005 0.029 Uiso 1 1 calc R U . . .
C92 C 1.13591(16) 0.58017(13) 0.32750(12) 0.0258(7) Uani 1 1 d . . . . .
H92 H 1.1380 0.5866 0.2940 0.031 Uiso 1 1 calc R U . . .
C93 C 1.10713(17) 0.61438(13) 0.35489(12) 0.0269(7) Uani 1 1 d . . . . .
H93 H 1.0865 0.6474 0.3426 0.032 Uiso 1 1 calc R U . . .
C94 C 1.1150(2) 0.59002(15) 0.40384(13) 0.0372(9) Uani 1 1 d . . . . .
H94 H 1.1006 0.6042 0.4295 0.045 Uiso 1 1 calc R U . . .
C95 C 1.1483(2) 0.54093(17) 0.40756(15) 0.0445(10) Uani 1 1 d . . . . .
H95 H 1.1600 0.5169 0.4360 0.053 Uiso 1 1 calc R U . . .
C96 C 1.16108(18) 0.53416(15) 0.36037(15) 0.0392(9) Uani 1 1 d . . . . .
H96 H 1.1822 0.5047 0.3524 0.047 Uiso 1 1 calc R U . . .
C97 C 0.98172(16) 0.49539(11) 0.20816(10) 0.0182(6) Uani 1 1 d . . . . .
H97A H 1.0248 0.5087 0.2132 0.022 Uiso 1 1 calc R U . . .
H97B H 0.9854 0.4567 0.2114 0.022 Uiso 1 1 calc R U . . .
C98 C 0.97936(16) 0.53154(11) 0.15445(10) 0.0196(6) Uani 1 1 d . . . . .
H98A H 0.9339 0.5200 0.1510 0.024 Uiso 1 1 calc R U . . .
H98B H 0.9789 0.5704 0.1510 0.024 Uiso 1 1 calc R U . . .
C99 C 1.04266(16) 0.52783(11) 0.11173(10) 0.0169(6) Uani 1 1 d . . . . .
C100 C 1.10735(16) 0.50170(11) 0.11596(11) 0.0178(6) Uani 1 1 d . . . . .
H100 H 1.1173 0.4823 0.1464 0.021 Uiso 1 1 calc R U . . .
C101 C 1.15403(16) 0.51050(12) 0.06565(11) 0.0198(6) Uani 1 1 d . . . . .
H101 H 1.1999 0.4978 0.0574 0.024 Uiso 1 1 calc R U . . .
C102 C 1.11855(17) 0.54204(11) 0.03008(11) 0.0209(6) Uani 1 1 d . . . . .
H102 H 1.1369 0.5534 -0.0055 0.025 Uiso 1 1 calc R U . . .
C103 C 1.05039(16) 0.55300(11) 0.05850(10) 0.0184(6) Uani 1 1 d . . . . .
H103 H 1.0163 0.5733 0.0447 0.022 Uiso 1 1 calc R U . . .
C104 C 0.96236(18) 0.41287(11) 0.11699(12) 0.0248(7) Uani 1 1 d . . . . .
H104 H 0.9211 0.4150 0.1424 0.030 Uiso 1 1 calc R U . . .
C105 C 1.02376(18) 0.38500(11) 0.12497(12) 0.0244(7) Uani 1 1 d . . . . .
H105 H 1.0299 0.3654 0.1567 0.029 Uiso 1 1 calc R U . . .
C106 C 1.07460(19) 0.39188(12) 0.07632(12) 0.0256(7) Uani 1 1 d . . . . .
H106 H 1.1198 0.3779 0.0706 0.031 Uiso 1 1 calc R U . . .
C107 C 1.04392(18) 0.42401(12) 0.03804(12) 0.0252(7) Uani 1 1 d . . . . .
H107 H 1.0654 0.4346 0.0027 0.030 Uiso 1 1 calc R U . . .
C108 C 0.97468(17) 0.43714(11) 0.06314(12) 0.0237(6) Uani 1 1 d . . . . .
H108 H 0.9429 0.4580 0.0471 0.028 Uiso 1 1 calc R U . . .
C109 C 1.07510(15) 0.76630(11) 0.20545(10) 0.0174(6) Uani 1 1 d . . . . .
H10A H 1.0861 0.7886 0.1690 0.021 Uiso 1 1 calc R U . . .
H10B H 1.1035 0.7848 0.2185 0.021 Uiso 1 1 calc R U . . .
C110 C 1.10008(16) 0.70807(11) 0.21209(11) 0.0191(6) Uani 1 1 d . . . . .
H11A H 1.0966 0.6875 0.2478 0.023 Uiso 1 1 calc R U . . .
H11B H 1.0677 0.6872 0.2035 0.023 Uiso 1 1 calc R U . . .
C111 C 1.17722(16) 0.71263(11) 0.17853(11) 0.0204(6) Uani 1 1 d . . . . .
C112 C 1.24075(18) 0.69953(13) 0.19295(15) 0.0325(8) Uani 1 1 d . . . . .
H112 H 1.2427 0.6854 0.2264 0.039 Uiso 1 1 calc R U . . .
C113 C 1.3009(2) 0.71172(15) 0.1475(2) 0.0511(12) Uani 1 1 d . . . . .
H113 H 1.3495 0.7071 0.1460 0.061 Uiso 1 1 calc R U . . .
C114 C 1.2756(2) 0.73195(13) 0.10498(17) 0.0530(13) Uani 1 1 d . . . . .
H114 H 1.3039 0.7425 0.0706 0.064 Uiso 1 1 calc R U . . .
C115 C 1.1998(2) 0.73326(12) 0.12385(13) 0.0364(9) Uani 1 1 d . . . . .
H115 H 1.1690 0.7456 0.1039 0.044 Uiso 1 1 calc R U . . .
C116 C 1.1518(2) 0.58400(13) 0.18929(13) 0.0336(8) Uani 1 1 d . . . . .
H116 H 1.1080 0.5791 0.2157 0.040 Uiso 1 1 calc R U . . .
C117 C 1.1612(2) 0.60643(14) 0.13611(14) 0.0356(8) Uani 1 1 d . . . . .
H117 H 1.1245 0.6186 0.1213 0.043 Uiso 1 1 calc R U . . .
C118 C 1.2368(2) 0.60714(13) 0.10908(13) 0.0304(7) Uani 1 1 d . . . . .
H118 H 1.2583 0.6200 0.0736 0.037 Uiso 1 1 calc R U . . .
C119 C 1.27298(19) 0.58492(11) 0.14561(12) 0.0261(7) Uani 1 1 d . . . . .
H119 H 1.3228 0.5805 0.1385 0.031 Uiso 1 1 calc R U . . .
C120 C 1.2208(2) 0.57031(12) 0.19524(12) 0.0296(7) Uani 1 1 d . . . . .
H120 H 1.2303 0.5545 0.2263 0.035 Uiso 1 1 calc R U . . .
C121 C 0.96667(16) 0.84078(10) 0.21210(11) 0.0174(6) Uani 1 1 d . . . . .
H12A H 0.9855 0.8592 0.2300 0.021 Uiso 1 1 calc R U . . .
H12B H 0.9961 0.8571 0.1760 0.021 Uiso 1 1 calc R U . . .
C122 C 0.88682(16) 0.85224(11) 0.21730(12) 0.0213(6) Uani 1 1 d . . . . .
H12C H 0.8659 0.8301 0.2032 0.026 Uiso 1 1 calc R U . . .
H12D H 0.8586 0.8403 0.2535 0.026 Uiso 1 1 calc R U . . .
C123 C 0.88018(16) 0.91318(11) 0.19018(11) 0.0207(6) Uani 1 1 d . . . . .
C124 C 0.84142(17) 0.94978(11) 0.21258(12) 0.0228(6) Uani 1 1 d . . . . .
H124 H 0.8143 0.9398 0.2471 0.027 Uiso 1 1 calc R U . . .
C125 C 0.8514(2) 1.00408(13) 0.17304(13) 0.0317(8) Uani 1 1 d . . . . .
H125 H 0.8317 1.0357 0.1773 0.038 Uiso 1 1 calc R U . . .
C126 C 0.8960(2) 1.00191(13) 0.12648(13) 0.0371(9) Uani 1 1 d . . . . .
H126 H 0.9110 1.0317 0.0946 0.045 Uiso 1 1 calc R U . . .
C127 C 0.9145(2) 0.94573(13) 0.13675(13) 0.0321(8) Uani 1 1 d . . . . .
H127 H 0.9437 0.9327 0.1127 0.039 Uiso 1 1 calc R U . . .
C128 C 0.7006(2) 0.96463(16) 0.15207(15) 0.0422(9) Uani 1 1 d . . . . .
H128 H 0.6761 0.9934 0.1591 0.051 Uiso 1 1 calc R U . . .
C129 C 0.6957(2) 0.90983(17) 0.18804(19) 0.0533(12) Uani 1 1 d . . . . .
H129 H 0.6687 0.8956 0.2229 0.064 Uiso 1 1 calc R U . . .
C130 C 0.7410(3) 0.88029(17) 0.1599(2) 0.0656(16) Uani 1 1 d . . . . .
H130 H 0.7477 0.8426 0.1736 0.079 Uiso 1 1 calc R U . . .
C131 C 0.7737(3) 0.9172(2) 0.1082(2) 0.0631(15) Uani 1 1 d . . . . .
H131 H 0.8061 0.9084 0.0823 0.076 Uiso 1 1 calc R U . . .
C132 C 0.7488(2) 0.96935(19) 0.10312(16) 0.0493(11) Uani 1 1 d . . . . .
H132 H 0.7614 1.0015 0.0730 0.059 Uiso 1 1 calc R U . . .
C133 C 0.97690(16) 0.75007(11) 0.30384(10) 0.0182(6) Uani 1 1 d . . . . .
H13C H 1.0050 0.7187 0.3135 0.022 Uiso 1 1 calc R U . . .
H13D H 1.0020 0.7824 0.3040 0.022 Uiso 1 1 calc R U . . .
C134 C 0.90084(16) 0.73599(12) 0.34442(11) 0.0218(6) Uani 1 1 d . . . . .
H13E H 0.8740 0.7685 0.3370 0.026 Uiso 1 1 calc R U . . .
H13F H 0.8737 0.7056 0.3427 0.026 Uiso 1 1 calc R U . . .
C135 C 0.90554(16) 0.71912(11) 0.39748(11) 0.0195(6) Uani 1 1 d . . . . .
C136 C 0.93749(17) 0.67181(12) 0.42305(11) 0.0218(6) Uani 1 1 d . . . . .
H136 H 0.9574 0.6451 0.4102 0.026 Uiso 1 1 calc R U . . .
C137 C 0.93380(19) 0.67222(13) 0.47167(12) 0.0291(7) Uani 1 1 d . . . . .
H137 H 0.9510 0.6459 0.4960 0.035 Uiso 1 1 calc R U . . .
C138 C 0.8998(2) 0.71917(13) 0.47654(12) 0.0299(7) Uani 1 1 d . . . . .
H138 H 0.8902 0.7292 0.5048 0.036 Uiso 1 1 calc R U . . .
C139 C 0.88260(18) 0.74846(12) 0.43114(11) 0.0233(6) Uani 1 1 d . . . . .
H139 H 0.8601 0.7813 0.4243 0.028 Uiso 1 1 calc R U . . .
C140 C 0.74982(19) 0.63456(14) 0.45022(14) 0.0332(8) Uani 1 1 d . . . . .
H140 H 0.7496 0.6393 0.4175 0.040 Uiso 1 1 calc R U . . .
C141 C 0.77953(19) 0.59124(13) 0.48204(13) 0.0326(8) Uani 1 1 d . . . . .
H141 H 0.8022 0.5624 0.4739 0.039 Uiso 1 1 calc R U . . .
C142 C 0.7692(2) 0.59897(14) 0.52799(13) 0.0407(9) Uani 1 1 d . . . . .
H142 H 0.7837 0.5762 0.5555 0.049 Uiso 1 1 calc R U . . .
C143 C 0.7331(2) 0.64736(16) 0.52509(15) 0.0442(10) Uani 1 1 d . . . . .
H143 H 0.7199 0.6623 0.5503 0.053 Uiso 1 1 calc R U . . .
C144 C 0.72044(19) 0.66945(14) 0.47684(14) 0.0368(8) Uani 1 1 d . . . . .
H144 H 0.6971 0.7011 0.4650 0.044 Uiso 1 1 calc R U . . .
C145 C 1.34495(16) -0.07959(11) 0.25663(11) 0.0177(6) Uani 1 1 d . . . . .
H14C H 1.3374 -0.0743 0.2243 0.021 Uiso 1 1 calc R U . . .
H14D H 1.3709 -0.1124 0.2657 0.021 Uiso 1 1 calc R U . . .
C146 C 1.26978(17) -0.09080(11) 0.29823(11) 0.0224(6) Uani 1 1 d . . . . .
H14E H 1.2771 -0.0940 0.3302 0.027 Uiso 1 1 calc R U . . .
H14F H 1.2425 -0.0590 0.2882 0.027 Uiso 1 1 calc R U . . .
C147 C 1.22477(16) -0.14357(11) 0.30734(11) 0.0211(6) Uani 1 1 d . . . . .
C148 C 1.23368(17) -0.17396(12) 0.27526(11) 0.0226(6) Uani 1 1 d . . . . .
H148 H 1.2706 -0.1655 0.2439 0.027 Uiso 1 1 calc R U . . .
C149 C 1.17659(18) -0.21984(12) 0.29905(13) 0.0277(7) Uani 1 1 d . . . . .
H149 H 1.1698 -0.2465 0.2861 0.033 Uiso 1 1 calc R U . . .
C150 C 1.13218(18) -0.21742(13) 0.34585(13) 0.0298(7) Uani 1 1 d . . . . .
H150 H 1.0907 -0.2422 0.3690 0.036 Uiso 1 1 calc R U . . .
C151 C 1.16153(17) -0.17101(12) 0.35145(12) 0.0255(7) Uani 1 1 d . . . . .
H151 H 1.1430 -0.1601 0.3791 0.031 Uiso 1 1 calc R U . . .
C152 C 1.3300(2) -0.22701(14) 0.36692(14) 0.0371(9) Uani 1 1 d . . . . .
H152 H 1.3624 -0.1961 0.3593 0.045 Uiso 1 1 calc R U . . .
C153 C 1.3345(2) -0.25891(16) 0.33636(15) 0.0433(9) Uani 1 1 d . . . . .
H153 H 1.3704 -0.2527 0.3050 0.052 Uiso 1 1 calc R U . . .
C154 C 1.2742(2) -0.30218(14) 0.36229(15) 0.0405(9) Uani 1 1 d . . . . .
H154 H 1.2636 -0.3293 0.3508 0.049 Uiso 1 1 calc R U . . .
C155 C 1.2338(2) -0.29671(13) 0.40808(14) 0.0378(9) Uani 1 1 d . . . . .
H155 H 1.1917 -0.3198 0.4325 0.045 Uiso 1 1 calc R U . . .
C156 C 1.2675(2) -0.25049(14) 0.41089(13) 0.0366(8) Uani 1 1 d . . . . .
H156 H 1.2512 -0.2375 0.4373 0.044 Uiso 1 1 calc R U . . .
C157 C 1.44924(17) -0.05037(11) 0.29523(11) 0.0222(6) Uani 1 1 d . . . . .
H15A H 1.4132 -0.0766 0.3262 0.027 Uiso 1 1 calc R U . . .
H15B H 1.4856 -0.0720 0.2820 0.027 Uiso 1 1 calc R U . . .
C158 C 1.48782(18) -0.01039(12) 0.31026(11) 0.0242(6) Uani 1 1 d . . . . .
H15C H 1.4513 0.0102 0.3248 0.029 Uiso 1 1 calc R U . . .
H15D H 1.5075 -0.0328 0.3370 0.029 Uiso 1 1 calc R U . . .
C159 C 1.54876(17) 0.03099(11) 0.26747(11) 0.0205(6) Uani 1 1 d . . . . .
C160 C 1.54618(17) 0.08985(11) 0.24339(11) 0.0208(6) Uani 1 1 d . . . . .
H160 H 1.5054 0.1088 0.2504 0.025 Uiso 1 1 calc R U . . .
C161 C 1.61703(17) 0.11481(12) 0.20648(11) 0.0242(6) Uani 1 1 d . . . . .
H161 H 1.6304 0.1528 0.1857 0.029 Uiso 1 1 calc R U . . .
C162 C 1.66275(19) 0.07183(13) 0.20730(12) 0.0287(7) Uani 1 1 d . . . . .
H162 H 1.7117 0.0763 0.1872 0.034 Uiso 1 1 calc R U . . .
C163 C 1.62088(18) 0.02021(13) 0.24438(13) 0.0279(7) Uani 1 1 d . . . . .
H163 H 1.6379 -0.0149 0.2522 0.033 Uiso 1 1 calc R U . . .
C164 C 1.6107(2) 0.04164(14) 0.35530(13) 0.0371(9) Uani 1 1 d . . . . .
H164 H 1.5795 0.0096 0.3795 0.045 Uiso 1 1 calc R U . . .
C165 C 1.5921(2) 0.09699(15) 0.34028(13) 0.0405(9) Uani 1 1 d . . . . .
H165 H 1.5463 0.1080 0.3528 0.049 Uiso 1 1 calc R U . . .
C166 C 1.6550(3) 0.13301(14) 0.30289(13) 0.0435(10) Uani 1 1 d . . . . .
H166 H 1.6581 0.1719 0.2866 0.052 Uiso 1 1 calc R U . . .
C167 C 1.7126(2) 0.09959(16) 0.29452(16) 0.0472(11) Uani 1 1 d . . . . .
H167 H 1.7601 0.1124 0.2716 0.057 Uiso 1 1 calc R U . . .
C168 C 1.6847(2) 0.04336(15) 0.32729(15) 0.0425(10) Uani 1 1 d . . . . .
H168 H 1.7110 0.0125 0.3299 0.051 Uiso 1 1 calc R U . . .
C169 C 1.47562(15) -0.00635(11) 0.18689(10) 0.0171(5) Uani 1 1 d . . . . .
H16A H 1.5145 0.0211 0.1816 0.020 Uiso 1 1 calc R U . . .
H16B H 1.4964 -0.0413 0.1891 0.020 Uiso 1 1 calc R U . . .
C170 C 1.44736(15) 0.01419(11) 0.14088(10) 0.0181(6) Uani 1 1 d . . . . .
H17A H 1.4055 -0.0117 0.1479 0.022 Uiso 1 1 calc R U . . .
H17B H 1.4303 0.0506 0.1372 0.022 Uiso 1 1 calc R U . . .
C171 C 1.50343(16) 0.01939(11) 0.09092(11) 0.0176(6) Uani 1 1 d . . . . .
C172 C 1.49762(17) 0.05053(12) 0.04165(11) 0.0217(6) Uani 1 1 d . . . . .
H172 H 1.4592 0.0711 0.0353 0.026 Uiso 1 1 calc R U . . .
C173 C 1.56024(18) 0.04508(13) 0.00350(11) 0.0247(6) Uani 1 1 d . . . . .
H173 H 1.5700 0.0615 -0.0319 0.030 Uiso 1 1 calc R U . . .
C174 C 1.60481(17) 0.01020(12) 0.02927(12) 0.0239(6) Uani 1 1 d . . . . .
H174 H 1.6493 -0.0003 0.0138 0.029 Uiso 1 1 calc R U . . .
C175 C 1.56951(16) -0.00603(11) 0.08331(11) 0.0200(6) Uani 1 1 d . . . . .
H175 H 1.5869 -0.0293 0.1091 0.024 Uiso 1 1 calc R U . . .
C176 C 1.5883(2) 0.13336(15) 0.08293(15) 0.0441(10) Uani 1 1 d . . . . .
H176 H 1.5520 0.1315 0.1128 0.053 Uiso 1 1 calc R U . . .
C177 C 1.5901(3) 0.16211(14) 0.03069(19) 0.0574(14) Uani 1 1 d . . . . .
H177 H 1.5546 0.1835 0.0199 0.069 Uiso 1 1 calc R U . . .
C178 C 1.6541(4) 0.15225(16) -0.00083(18) 0.0751(19) Uani 1 1 d . . . . .
H178 H 1.6685 0.1658 -0.0365 0.090 Uiso 1 1 calc R U . . .
C179 C 1.6915(3) 0.1204(2) 0.0280(2) 0.0663(15) Uani 1 1 d . . . . .
H179 H 1.7362 0.1082 0.0154 0.080 Uiso 1 1 calc R U . . .
C180 C 1.6549(2) 0.10836(14) 0.07856(17) 0.0468(11) Uani 1 1 d . . . . .
H180 H 1.6710 0.0872 0.1059 0.056 Uiso 1 1 calc R U . . .
C181 C 1.45645(16) 0.27043(11) 0.28341(11) 0.0194(6) Uani 1 1 d . . . . .
H18A H 1.4899 0.3037 0.2734 0.023 Uiso 1 1 calc R U . . .
H18B H 1.4074 0.2774 0.2999 0.023 Uiso 1 1 calc R U . . .
C182 C 1.47861(16) 0.22084(12) 0.32207(11) 0.0212(6) Uani 1 1 d . . . . .
H18C H 1.4583 0.1862 0.3226 0.025 Uiso 1 1 calc R U . . .
H18D H 1.5318 0.2222 0.3106 0.025 Uiso 1 1 calc R U . . .
C183 C 1.45341(16) 0.21971(13) 0.37565(11) 0.0220(6) Uani 1 1 d . . . . .
C184 C 1.44896(17) 0.17157(15) 0.42040(12) 0.0300(7) Uani 1 1 d . . . . .
H184 H 1.4593 0.1360 0.4212 0.036 Uiso 1 1 calc R U . . .
C185 C 1.42592(18) 0.18695(18) 0.46388(13) 0.0393(9) Uani 1 1 d . . . . .
H185 H 1.4186 0.1633 0.4979 0.047 Uiso 1 1 calc R U . . .
C186 C 1.41616(18) 0.24493(18) 0.44587(14) 0.0412(10) Uani 1 1 d . . . . .
H186 H 1.4013 0.2659 0.4661 0.049 Uiso 1 1 calc R U . . .
C187 C 1.43306(18) 0.26544(15) 0.39143(13) 0.0319(8) Uani 1 1 d . . . . .
H187 H 1.4312 0.3021 0.3699 0.038 Uiso 1 1 calc R U . . .
C188 C 1.27857(18) 0.19561(16) 0.38882(13) 0.0349(8) Uani 1 1 d . . . . .
H188 H 1.2907 0.2048 0.3536 0.042 Uiso 1 1 calc R U . . .
C189 C 1.2807(2) 0.14302(16) 0.42531(15) 0.0417(9) Uani 1 1 d . . . . .
H189 H 1.2946 0.1112 0.4187 0.050 Uiso 1 1 calc R U . . .
C190 C 1.2577(2) 0.14674(18) 0.47406(15) 0.0460(10) Uani 1 1 d . . . . .
H190 H 1.2537 0.1177 0.5053 0.055 Uiso 1 1 calc R U . . .
C191 C 1.24190(18) 0.20241(18) 0.46699(14) 0.0418(9) Uani 1 1 d . . . . .
H191 H 1.2257 0.2166 0.4926 0.050 Uiso 1 1 calc R U . . .
C192 C 1.25520(19) 0.23226(17) 0.41392(15) 0.0379(8) Uani 1 1 d . . . . .
H192 H 1.2494 0.2699 0.3983 0.045 Uiso 1 1 calc R U . . .
C193 C 1.55497(15) 0.26341(11) 0.19059(11) 0.0184(6) Uani 1 1 d . . . . .
H19A H 1.5799 0.2994 0.1839 0.022 Uiso 1 1 calc R U . . .
H19B H 1.5770 0.2340 0.2115 0.022 Uiso 1 1 calc R U . . .
C194 C 1.56509(15) 0.25693(11) 0.13953(10) 0.0173(5) Uani 1 1 d . . . . .
H19C H 1.5607 0.2172 0.1461 0.021 Uiso 1 1 calc R U . . .
H19D H 1.5254 0.2727 0.1269 0.021 Uiso 1 1 calc R U . . .
C195 C 1.63690(15) 0.28424(10) 0.09808(10) 0.0146(5) Uani 1 1 d . . . . .
C196 C 1.66778(16) 0.34163(11) 0.08026(11) 0.0182(6) Uani 1 1 d . . . . .
H196 H 1.6495 0.3673 0.0948 0.022 Uiso 1 1 calc R U . . .
C197 C 1.73107(16) 0.35223(11) 0.03650(11) 0.0206(6) Uani 1 1 d . . . . .
H197 H 1.7608 0.3863 0.0171 0.025 Uiso 1 1 calc R U . . .
C198 C 1.74112(16) 0.30178(12) 0.02740(11) 0.0199(6) Uani 1 1 d . . . . .
H198 H 1.7789 0.2968 0.0015 0.024 Uiso 1 1 calc R U . . .
C199 C 1.68256(15) 0.26017(11) 0.06527(10) 0.0166(5) Uani 1 1 d . . . . .
H199 H 1.6755 0.2234 0.0680 0.020 Uiso 1 1 calc R U . . .
C200 C 1.74431(17) 0.24641(14) 0.17256(12) 0.0289(7) Uani 1 1 d . . . . .
H200 H 1.7035 0.2275 0.2011 0.035 Uiso 1 1 calc R U . . .
C201 C 1.78895(18) 0.22305(12) 0.13909(13) 0.0284(7) Uani 1 1 d . . . . .
H201 H 1.7825 0.1863 0.1416 0.034 Uiso 1 1 calc R U . . .
C202 C 1.84554(16) 0.26569(13) 0.10087(12) 0.0239(6) Uani 1 1 d . . . . .
H202 H 1.8828 0.2616 0.0742 0.029 Uiso 1 1 calc R U . . .
C203 C 1.83498(17) 0.31557(13) 0.11075(12) 0.0238(6) Uani 1 1 d . . . . .
H203 H 1.8639 0.3500 0.0915 0.029 Uiso 1 1 calc R U . . .
C204 C 1.77216(17) 0.30343(14) 0.15534(12) 0.0270(7) Uani 1 1 d . . . . .
H204 H 1.7529 0.3285 0.1704 0.032 Uiso 1 1 calc R U . . .
C205 C 1.43361(16) 0.32675(11) 0.18728(11) 0.0214(6) Uani 1 1 d . . . . .
H20A H 1.4729 0.3562 0.1772 0.026 Uiso 1 1 calc R U . . .
H20B H 1.4282 0.3250 0.1563 0.026 Uiso 1 1 calc R U . . .
C206 C 1.36152(16) 0.34053(11) 0.21848(11) 0.0207(6) Uani 1 1 d . . . . .
H20C H 1.3304 0.3057 0.2420 0.025 Uiso 1 1 calc R U . . .
H20D H 1.3725 0.3594 0.2389 0.025 Uiso 1 1 calc R U . . .
C207 C 1.32057(16) 0.37681(11) 0.18552(11) 0.0200(6) Uani 1 1 d . . . . .
C208 C 1.27524(16) 0.35736(11) 0.16398(11) 0.0208(6) Uani 1 1 d . . . . .
H208 H 1.2679 0.3205 0.1669 0.025 Uiso 1 1 calc R U . . .
C209 C 1.24242(17) 0.40366(12) 0.13689(11) 0.0234(6) Uani 1 1 d . . . . .
H209 H 1.2101 0.4023 0.1193 0.028 Uiso 1 1 calc R U . . .
C210 C 1.26837(17) 0.45213(12) 0.14191(11) 0.0222(6) Uani 1 1 d . . . . .
H210 H 1.2558 0.4882 0.1283 0.027 Uiso 1 1 calc R U . . .
C211 C 1.31712(16) 0.43555(11) 0.17165(11) 0.0211(6) Uani 1 1 d . . . . .
H211 H 1.3422 0.4591 0.1804 0.025 Uiso 1 1 calc R U . . .
C212 C 1.1836(2) 0.34386(16) 0.28992(13) 0.0423(10) Uani 1 1 d . . . . .
H212 H 1.2121 0.3206 0.3075 0.051 Uiso 1 1 calc R U . . .
C213 C 1.13734(19) 0.32780(14) 0.26699(13) 0.0359(8) Uani 1 1 d . . . . .
H213 H 1.1304 0.2924 0.2665 0.043 Uiso 1 1 calc R U . . .
C214 C 1.10348(17) 0.37528(13) 0.24503(13) 0.0286(7) Uani 1 1 d . . . . .
H214 H 1.0698 0.3765 0.2278 0.034 Uiso 1 1 calc R U . . .
C215 C 1.12970(18) 0.42100(13) 0.25376(12) 0.0286(7) Uani 1 1 d . . . . .
H215 H 1.1165 0.4573 0.2430 0.034 Uiso 1 1 calc R U . . .
C216 C 1.1792(2) 0.40170(17) 0.28153(13) 0.0392(9) Uani 1 1 d . . . . .
H216 H 1.2044 0.4229 0.2924 0.047 Uiso 1 1 calc R U . . .
C217 C 1.18679(16) 0.26510(11) 0.11635(11) 0.0192(6) Uani 1 1 d . . . . .
H21A H 1.2200 0.2980 0.1076 0.023 Uiso 1 1 calc R U . . .
H21B H 1.1659 0.2724 0.0888 0.023 Uiso 1 1 calc R U . . .
C218 C 1.12440(16) 0.25644(12) 0.16648(11) 0.0208(6) Uani 1 1 d . . . . .
H21C H 1.1443 0.2449 0.1948 0.025 Uiso 1 1 calc R U . . .
H21D H 1.1052 0.2920 0.1638 0.025 Uiso 1 1 calc R U . . .
C219 C 1.06216(16) 0.21309(12) 0.17842(11) 0.0201(6) Uani 1 1 d . . . . .
C220 C 1.00771(16) 0.22105(12) 0.15347(11) 0.0223(6) Uani 1 1 d . . . . .
H220 H 1.0035 0.2542 0.1279 0.027 Uiso 1 1 calc R U . . .
C221 C 0.96077(18) 0.16969(13) 0.17430(12) 0.0258(7) Uani 1 1 d . . . . .
H221 H 0.9205 0.1636 0.1649 0.031 Uiso 1 1 calc R U . . .
C222 C 0.98579(18) 0.12977(12) 0.21168(11) 0.0244(6) Uani 1 1 d . . . . .
H222 H 0.9652 0.0926 0.2310 0.029 Uiso 1 1 calc R U . . .
C223 C 1.04798(17) 0.15618(12) 0.21469(11) 0.0223(6) Uani 1 1 d . . . . .
H223 H 1.0749 0.1393 0.2366 0.027 Uiso 1 1 calc R U . . .
C224 C 0.95511(18) 0.25217(13) 0.26683(13) 0.0291(7) Uani 1 1 d . . . . .
H224 H 0.9943 0.2766 0.2621 0.035 Uiso 1 1 calc R U . . .
C225 C 0.90507(18) 0.26442(12) 0.23844(12) 0.0271(7) Uani 1 1 d . . . . .
H225 H 0.9056 0.2983 0.2120 0.033 Uiso 1 1 calc R U . . .
C226 C 0.85423(17) 0.21587(12) 0.25762(11) 0.0230(6) Uani 1 1 d . . . . .
H226 H 0.8156 0.2124 0.2457 0.028 Uiso 1 1 calc R U . . .
C227 C 0.87183(17) 0.17362(12) 0.29790(11) 0.0223(6) Uani 1 1 d . . . . .
H227 H 0.8468 0.1377 0.3172 0.027 Uiso 1 1 calc R U . . .
C228 C 0.93482(18) 0.19598(14) 0.30367(12) 0.0271(7) Uani 1 1 d . . . . .
H228 H 0.9584 0.1772 0.3273 0.032 Uiso 1 1 calc R U . . .
C229 C 1.32095(16) 0.23512(11) 0.06305(10) 0.0182(6) Uani 1 1 d . . . . .
H22A H 1.3487 0.2050 0.0580 0.022 Uiso 1 1 calc R U . . .
H22B H 1.3048 0.2528 0.0333 0.022 Uiso 1 1 calc R U . . .
C230 C 1.37203(16) 0.27863(11) 0.06543(11) 0.0198(6) Uani 1 1 d . . . . .
H23A H 1.3454 0.3098 0.0688 0.024 Uiso 1 1 calc R U . . .
H23B H 1.3874 0.2617 0.0956 0.024 Uiso 1 1 calc R U . . .
C231 C 1.43853(16) 0.30017(10) 0.01849(10) 0.0163(5) Uani 1 1 d . . . . .
C232 C 1.43946(16) 0.33339(11) -0.03271(10) 0.0187(6) Uani 1 1 d . . . . .
H232 H 1.3987 0.3458 -0.0426 0.022 Uiso 1 1 calc R U . . .
C233 C 1.51347(17) 0.34418(11) -0.06580(11) 0.0230(6) Uani 1 1 d . . . . .
H233 H 1.5294 0.3648 -0.1011 0.028 Uiso 1 1 calc R U . . .
C234 C 1.55872(17) 0.31839(11) -0.03616(12) 0.0239(6) Uani 1 1 d . . . . .
H234 H 1.6095 0.3192 -0.0483 0.029 Uiso 1 1 calc R U . . .
C235 C 1.51267(16) 0.29085(11) 0.01577(11) 0.0197(6) Uani 1 1 d . . . . .
H235 H 1.5284 0.2702 0.0434 0.024 Uiso 1 1 calc R U . . .
C236 C 1.57947(17) 0.43179(12) -0.01252(12) 0.0249(7) Uani 1 1 d . . . . .
H236 H 1.6301 0.4309 -0.0218 0.030 Uiso 1 1 calc R U . . .
C237 C 1.53971(18) 0.45925(11) -0.04619(12) 0.0245(7) Uani 1 1 d . . . . .
H237 H 1.5595 0.4796 -0.0814 0.029 Uiso 1 1 calc R U . . .
C238 C 1.46383(18) 0.45009(11) -0.01638(12) 0.0227(6) Uani 1 1 d . . . . .
H238 H 1.4254 0.4633 -0.0289 0.027 Uiso 1 1 calc R U . . .
C239 C 1.45701(17) 0.41742(11) 0.03548(11) 0.0200(6) Uani 1 1 d . . . . .
H239 H 1.4135 0.4056 0.0631 0.024 Uiso 1 1 calc R U . . .
C240 C 1.52860(17) 0.40600(11) 0.03770(12) 0.0222(6) Uani 1 1 d . . . . .
H240 H 1.5401 0.3851 0.0672 0.027 Uiso 1 1 calc R U . . .
C241 C 1.18991(16) 0.16084(11) 0.10039(11) 0.0198(6) Uani 1 1 d . . . . .
H24A H 1.1378 0.1554 0.1196 0.024 Uiso 1 1 calc R U . . .
H24B H 1.1958 0.1798 0.0641 0.024 Uiso 1 1 calc R U . . .
C242 C 1.21941(19) 0.10351(12) 0.11008(13) 0.0271(7) Uani 1 1 d . . . . .
H24C H 1.2725 0.1093 0.0945 0.033 Uiso 1 1 calc R U . . .
H24D H 1.2083 0.0830 0.1468 0.033 Uiso 1 1 calc R U . . .
C243 C 1.18683(17) 0.06889(11) 0.08864(11) 0.0207(6) Uani 1 1 d . . . . .
C244 C 1.11648(18) 0.03658(13) 0.11156(13) 0.0276(7) Uani 1 1 d . . . . .
H244 H 1.0814 0.0344 0.1421 0.033 Uiso 1 1 calc R U . . .
C245 C 1.1089(2) 0.00834(14) 0.08003(15) 0.0377(9) Uani 1 1 d . . . . .
H245 H 1.0683 -0.0157 0.0862 0.045 Uiso 1 1 calc R U . . .
C246 C 1.1741(2) 0.02324(14) 0.03753(13) 0.0389(9) Uani 1 1 d . . . . .
H246 H 1.1840 0.0106 0.0108 0.047 Uiso 1 1 calc R U . . .
C247 C 1.2221(2) 0.06119(12) 0.04265(12) 0.0302(7) Uani 1 1 d . . . . .
H247 H 1.2685 0.0779 0.0197 0.036 Uiso 1 1 calc R U . . .
C248 C 1.24897(19) -0.03658(13) 0.15841(12) 0.0290(7) Uani 1 1 d . . . . .
H248 H 1.2601 -0.0142 0.1744 0.035 Uiso 1 1 calc R U . . .
C249 C 1.29536(19) -0.04023(13) 0.11224(12) 0.0284(7) Uani 1 1 d . . . . .
H249 H 1.3418 -0.0207 0.0927 0.034 Uiso 1 1 calc R U . . .
C250 C 1.2582(2) -0.07885(13) 0.10145(13) 0.0336(8) Uani 1 1 d . . . . .
H250 H 1.2759 -0.0894 0.0736 0.040 Uiso 1 1 calc R U . . .
C251 C 1.1887(2) -0.09875(12) 0.14092(14) 0.0375(9) Uani 1 1 d . . . . .
H251 H 1.1530 -0.1246 0.1432 0.045 Uiso 1 1 calc R U . . .
C252 C 1.1833(2) -0.07258(14) 0.17592(13) 0.0362(8) Uani 1 1 d . . . . .
H252 H 1.1436 -0.0781 0.2053 0.043 Uiso 1 1 calc R U . . .
C253 C 1.06150(15) 0.04382(11) 0.36649(10) 0.0176(6) Uani 1 1 d . . . . .
H25A H 1.0434 0.0786 0.3497 0.021 Uiso 1 1 calc R U . . .
H25B H 1.0801 0.0272 0.3412 0.021 Uiso 1 1 calc R U . . .
C254 C 0.99606(17) 0.00402(12) 0.40957(11) 0.0231(6) Uani 1 1 d . . . . .
H25C H 1.0129 -0.0312 0.4268 0.028 Uiso 1 1 calc R U . . .
H25D H 0.9754 0.0205 0.4347 0.028 Uiso 1 1 calc R U . . .
C255 C 0.93755(16) -0.00729(12) 0.38933(11) 0.0222(6) Uani 1 1 d . . . . .
C256 C 0.88879(18) -0.05799(14) 0.41017(13) 0.0302(7) Uani 1 1 d . . . . .
H256 H 0.8884 -0.0901 0.4383 0.036 Uiso 1 1 calc R U . . .
C257 C 0.84089(19) -0.05059(15) 0.38024(14) 0.0375(8) Uani 1 1 d . . . . .
H257 H 0.8037 -0.0771 0.3855 0.045 Uiso 1 1 calc R U . . .
C258 C 0.85965(18) 0.00420(14) 0.34112(14) 0.0344(8) Uani 1 1 d . . . . .
H258 H 0.8371 0.0198 0.3161 0.041 Uiso 1 1 calc R U . . .
C259 C 0.91883(17) 0.03102(12) 0.34681(12) 0.0250(6) Uani 1 1 d . . . . .
H259 H 0.9416 0.0674 0.3263 0.030 Uiso 1 1 calc R U . . .
C260 C 1.04134(19) -0.02142(14) 0.27264(13) 0.0305(7) Uani 1 1 d . . . . .
H260 H 1.0700 0.0132 0.2542 0.037 Uiso 1 1 calc R U . . .
C261 C 0.9807(2) -0.03976(14) 0.26211(13) 0.0344(8) Uani 1 1 d . . . . .
H261 H 0.9623 -0.0193 0.2358 0.041 Uiso 1 1 calc R U . . .
C262 C 0.9535(2) -0.09480(14) 0.29896(15) 0.0381(9) Uani 1 1 d . . . . .
H262 H 0.9141 -0.1171 0.3008 0.046 Uiso 1 1 calc R U . . .
C263 C 0.9957(2) -0.11035(13) 0.33238(15) 0.0359(8) Uani 1 1 d . . . . .
H263 H 0.9889 -0.1443 0.3602 0.043 Uiso 1 1 calc R U . . .
C264 C 1.05074(19) -0.06463(14) 0.31583(14) 0.0329(8) Uani 1 1 d . . . . .
H264 H 1.0865 -0.0635 0.3309 0.039 Uiso 1 1 calc R U . . .
C265 C 1.09601(16) 0.08804(11) 0.43429(11) 0.0195(6) Uani 1 1 d . . . . .
H26A H 1.0561 0.0605 0.4608 0.023 Uiso 1 1 calc R U . . .
H26B H 1.1320 0.0927 0.4499 0.023 Uiso 1 1 calc R U . . .
C266 C 1.06578(18) 0.14439(12) 0.41370(11) 0.0244(6) Uani 1 1 d . . . . .
H26C H 1.1062 0.1743 0.3941 0.029 Uiso 1 1 calc R U . . .
H26D H 1.0391 0.1429 0.3910 0.029 Uiso 1 1 calc R U . . .
C267 C 1.01604(17) 0.15615(11) 0.45728(11) 0.0207(6) Uani 1 1 d . . . . .
C268 C 1.03738(16) 0.17860(12) 0.48932(11) 0.0201(6) Uani 1 1 d . . . . .
H268 H 1.0852 0.1909 0.4849 0.024 Uiso 1 1 calc R U . . .
C269 C 0.97341(17) 0.17899(13) 0.52899(11) 0.0256(7) Uani 1 1 d . . . . .
H269 H 0.9721 0.1915 0.5549 0.031 Uiso 1 1 calc R U . . .
C270 C 0.91199(18) 0.15680(13) 0.52190(12) 0.0290(7) Uani 1 1 d . . . . .
H270 H 0.8632 0.1525 0.5423 0.035 Uiso 1 1 calc R U . . .
C271 C 0.93804(18) 0.14230(12) 0.47831(12) 0.0270(7) Uani 1 1 d . . . . .
H271 H 0.9091 0.1264 0.4655 0.032 Uiso 1 1 calc R U . . .
C272 C 1.0116(2) 0.30707(13) 0.41754(15) 0.0407(9) Uani 1 1 d . . . . .
H272 H 1.0581 0.3211 0.4141 0.049 Uiso 1 1 calc R U . . .
C273 C 0.9458(2) 0.30467(14) 0.45619(15) 0.0401(9) Uani 1 1 d . . . . .
H273 H 0.9413 0.3171 0.4826 0.048 Uiso 1 1 calc R U . . .
C274 C 0.8878(2) 0.28028(14) 0.44790(14) 0.0359(8) Uani 1 1 d . . . . .
H274 H 0.8385 0.2738 0.4679 0.043 Uiso 1 1 calc R U . . .
C275 C 0.9180(2) 0.26736(15) 0.40360(14) 0.0374(8) Uani 1 1 d . . . . .
H275 H 0.8921 0.2507 0.3895 0.045 Uiso 1 1 calc R U . . .
C276 C 0.9945(2) 0.28441(15) 0.38488(14) 0.0417(9) Uani 1 1 d . . . . .
H276 H 1.0278 0.2813 0.3560 0.050 Uiso 1 1 calc R U . . .
C277 C 1.16076(17) -0.00732(11) 0.42126(11) 0.0217(6) Uani 1 1 d . . . . .
H27A H 1.1181 -0.0269 0.4510 0.026 Uiso 1 1 calc R U . . .
H27B H 1.1719 -0.0295 0.4002 0.026 Uiso 1 1 calc R U . . .
C278 C 1.22614(19) -0.00217(12) 0.43917(13) 0.0317(8) Uani 1 1 d . . . . .
H27C H 1.2702 0.0119 0.4094 0.038 Uiso 0.5 1 calc R U P A 1
H27D H 1.2184 0.0252 0.4551 0.038 Uiso 0.5 1 calc R U P A 1
H27E H 1.2658 0.0233 0.4103 0.038 Uiso 0.5 1 calc R U P B 2
H27F H 1.2117 0.0140 0.4651 0.038 Uiso 0.5 1 calc R U P B 2
Fe24 Fe 1.32734(6) -0.07124(4) 0.50040(4) 0.0227(2) Uani 0.5 1 d . . P C 1
C279 C 1.2381(3) -0.05569(14) 0.47614(17) 0.0263(16) Uani 0.5 1 d DG . P C 1
C280 C 1.2181(3) -0.06684(18) 0.52949(18) 0.0331(15) Uani 0.5 1 d DG . P C 1
H280 H 1.1976 -0.0425 0.5452 0.040 Uiso 0.5 1 calc R U P C 1
C281 C 1.2350(3) -0.12167(18) 0.55468(14) 0.042(2) Uani 0.5 1 d DG U P C 1
H281 H 1.2274 -0.1396 0.5898 0.050 Uiso 0.5 1 calc R U P C 1
C282 C 1.2655(3) -0.14440(15) 0.51690(19) 0.026(2) Uiso 0.5 1 d DG U P C 1
H282 H 1.2813 -0.1798 0.5229 0.031 Uiso 0.5 1 calc R U P C 1
C283 C 1.2674(3) -0.10362(18) 0.46836(15) 0.0325(16) Uani 0.5 1 d DG U P C 1
H283 H 1.2848 -0.1076 0.4370 0.039 Uiso 0.5 1 calc R U P C 1
C284 C 1.3739(3) -0.0373(3) 0.53089(15) 0.0435(18) Uani 0.5 1 d DG U P C 1
H284 H 1.3446 -0.0378 0.5626 0.052 Uiso 0.5 1 calc R U P C 1
C285 C 1.4189(3) -0.0791(2) 0.5229(3) 0.043(2) Uani 0.5 1 d DG U P C 1
H285 H 1.4244 -0.1118 0.5484 0.052 Uiso 0.5 1 calc R U P C 1
C286 C 1.4542(3) -0.0623(2) 0.4691(3) 0.065(3) Uani 0.5 1 d DG . P C 1
H286 H 1.4868 -0.0820 0.4532 0.078 Uiso 0.5 1 calc R U P C 1
C287 C 1.4309(3) -0.0101(3) 0.44388(15) 0.041(2) Uani 0.5 1 d DG . P C 1
H287 H 1.4456 0.0104 0.4086 0.049 Uiso 0.5 1 calc R U P C 1
C288 C 1.3812(3) 0.00536(18) 0.4821(2) 0.0326(16) Uani 0.5 1 d DG U P C 1
H288 H 1.3577 0.0377 0.4761 0.039 Uiso 0.5 1 calc R U P C 1
Fe25 Fe 1.34525(7) -0.07175(5) 0.48197(5) 0.0304(3) Uiso 0.5 1 d . . P C 2
C289 C 1.2534(3) -0.0570(2) 0.4609(2) 0.0263(19) Uiso 0.5 1 d DG . P C 2
C290 C 1.2363(3) -0.0964(2) 0.51241(18) 0.0400(17) Uiso 0.5 1 d DG . P C 2
H29B H 1.2031 -0.0922 0.5430 0.048 Uiso 0.5 1 calc R U P C 2
C291 C 1.2761(4) -0.1430(2) 0.5118(2) 0.070(5) Uiso 0.5 1 d DG . P C 2
H29C H 1.2751 -0.1765 0.5419 0.084 Uiso 0.5 1 calc R U P C 2
C292 C 1.3178(4) -0.1323(2) 0.4599(2) 0.059(2) Uiso 0.5 1 d DG . P C 2
H29D H 1.3510 -0.1570 0.4479 0.071 Uiso 0.5 1 calc R U P C 2
C293 C 1.3037(3) -0.0791(2) 0.42845(16) 0.0417(18) Uiso 0.5 1 d DG . P C 2
H29E H 1.3259 -0.0605 0.3910 0.050 Uiso 0.5 1 calc R U P C 2
C294 C 1.4368(4) -0.0570(3) 0.45078(19) 0.044(2) Uiso 0.5 1 d DG . P C 2
H29F H 1.4629 -0.0632 0.4195 0.053 Uiso 0.5 1 calc R U P C 2
C295 C 1.4309(3) -0.0935(2) 0.5017(2) 0.0333(17) Uiso 0.5 1 d DG . P C 2
H29G H 1.4455 -0.1316 0.5122 0.040 Uiso 0.5 1 calc R U P C 2
C296 C 1.3995(4) -0.0654(3) 0.53497(17) 0.047(3) Uiso 0.5 1 d DG . P C 2
H29H H 1.3796 -0.0833 0.5726 0.057 Uiso 0.5 1 calc R U P C 2
C297 C 1.3861(4) -0.0115(3) 0.5046(3) 0.058(3) Uiso 0.5 1 d DG . P C 2
H29I H 1.3569 0.0142 0.5179 0.070 Uiso 0.5 1 calc R U P C 2
C298 C 1.4092(4) -0.0063(2) 0.4525(3) 0.042(3) Uiso 0.5 1 d DG . P C 2
H29J H 1.4085 0.0272 0.4228 0.051 Uiso 0.5 1 calc R U P C 2
C13 C 0.5451(3) 0.5944(3) 0.3302(2) 0.0165(12) Uani 0.5 1 d D U P D 1
H13A H 0.5384 0.5536 0.3443 0.020 Uiso 0.5 1 calc R U P D 1
H13B H 0.5043 0.6071 0.3506 0.020 Uiso 0.5 1 calc DR U P D 1
Fe3 Fe 0.61344(9) 0.81747(6) 0.38713(6) 0.0183(3) Uani 0.5 1 d . . P D 1
C25 C 0.6026(3) 0.6664(2) 0.3707(2) 0.0152(11) Uani 0.5 1 d . . P D 1
H25E H 0.5503 0.6681 0.3762 0.018 Uiso 0.5 1 calc R U P D 1
H25F H 0.6065 0.6441 0.4043 0.018 Uiso 0.5 1 calc R U P D 1
C26 C 0.6217(4) 0.7047(3) 0.3639(3) 0.0367(17) Uani 0.5 1 d . . P D 1
H26E H 0.6428 0.7234 0.3269 0.044 Uiso 0.5 1 calc R U P D 1
H26F H 0.6624 0.7009 0.3775 0.044 Uiso 0.5 1 calc R U P D 1
C27 C 0.5741(3) 0.74668(19) 0.38277(19) 0.0307(15) Uani 0.5 1 d DG . P D 1
C28 C 0.5495(4) 0.7421(2) 0.43465(17) 0.0258(15) Uani 0.5 1 d DG . P D 1
H28 H 0.5588 0.7142 0.4622 0.031 Uiso 0.5 1 calc R U P D 1
C29 C 0.5081(5) 0.7874(3) 0.4370(2) 0.052(6) Uani 0.5 1 d DG . P D 1
H29 H 0.4856 0.7945 0.4665 0.062 Uiso 0.5 1 calc R U P D 1
C30 C 0.5072(4) 0.8201(3) 0.3866(3) 0.041(2) Uani 0.5 1 d DG . P D 1
H30 H 0.4839 0.8524 0.3772 0.050 Uiso 0.5 1 calc R U P D 1
C31 C 0.5479(3) 0.7949(2) 0.35310(18) 0.0331(17) Uani 0.5 1 d DG . P D 1
H31 H 0.5561 0.8078 0.3179 0.040 Uiso 0.5 1 calc R U P D 1
C32 C 0.6942(3) 0.8286(2) 0.41542(15) 0.0259(17) Uani 0.5 1 d DG . P D 1
H32 H 0.6963 0.8083 0.4483 0.031 Uiso 0.5 1 calc R U P D 1
C33 C 0.6603(3) 0.87849(19) 0.40022(17) 0.0273(15) Uani 0.5 1 d DG . P D 1
H33 H 0.6363 0.8967 0.4214 0.033 Uiso 0.5 1 calc R U P D 1
C34 C 0.6696(3) 0.89570(17) 0.34702(18) 0.0285(15) Uani 0.5 1 d DG . P D 1
H34 H 0.6527 0.9272 0.3272 0.034 Uiso 0.5 1 calc R U P D 1
C35 C 0.7092(3) 0.8564(2) 0.32934(14) 0.0316(15) Uani 0.5 1 d DG . P D 1
H35 H 0.7228 0.8576 0.2959 0.038 Uiso 0.5 1 calc R U P D 1
C36 C 0.7244(3) 0.81492(19) 0.37162(19) 0.0283(15) Uani 0.5 1 d DG . P D 1
H36 H 0.7498 0.7842 0.3708 0.034 Uiso 0.5 1 calc R U P D 1
C13A C 0.5536(5) 0.5826(3) 0.3179(3) 0.031(2) Uiso 0.5 1 d D . P D 2
H13G H 0.5681 0.5471 0.3159 0.037 Uiso 0.5 1 calc R U P D 2
H13H H 0.5070 0.5749 0.3452 0.037 Uiso 0.5 1 calc R U P D 2
Fe3A Fe 0.60816(11) 0.81140(8) 0.38000(7) 0.0205(5) Uiso 0.5 1 d . . P D 2
C25A C 0.5756(4) 0.6680(3) 0.3514(3) 0.0299(14) Uiso 0.5 1 d D . P D 2
H25G H 0.5277 0.6540 0.3532 0.036 Uiso 0.5 1 calc DR U P D 2
H25H H 0.5737 0.6549 0.3870 0.036 Uiso 0.5 1 calc R U P D 2
C26A C 0.5662(3) 0.7162(2) 0.3438(2) 0.0204(12) Uiso 0.5 1 d . . P D 2
H26G H 0.5329 0.7228 0.3238 0.024 Uiso 0.5 1 calc R U P D 2
H26H H 0.6132 0.7359 0.3192 0.024 Uiso 0.5 1 calc R U P D 2
C27A C 0.5425(3) 0.7539(2) 0.37288(19) 0.0207(13) Uiso 0.5 1 d DG . P D 2
C28A C 0.5348(3) 0.74069(18) 0.42537(19) 0.0213(18) Uiso 0.5 1 d DG . P D 2
H28A H 0.5446 0.7073 0.4478 0.026 Uiso 0.5 1 calc R U P D 2
C29A C 0.5096(4) 0.7873(2) 0.43755(18) 0.015(3) Uiso 0.5 1 d DG . P D 2
H29A H 0.5000 0.7899 0.4694 0.018 Uiso 0.5 1 calc R U P D 2
C30A C 0.5017(4) 0.8294(2) 0.3926(2) 0.029(2) Uiso 0.5 1 d DG . P D 2
H30A H 0.4860 0.8643 0.3898 0.034 Uiso 0.5 1 calc R U P D 2
C31A C 0.5220(3) 0.8087(2) 0.35262(17) 0.0298(19) Uiso 0.5 1 d DG . P D 2
H31A H 0.5220 0.8277 0.3191 0.036 Uiso 0.5 1 calc R U P D 2
C32A C 0.6919(5) 0.8222(3) 0.4073(2) 0.036(3) Uiso 0.5 1 d DG . P D 2
H32A H 0.6907 0.8077 0.4414 0.043 Uiso 0.5 1 calc R U P D 2
C33A C 0.7140(4) 0.7948(2) 0.3723(3) 0.034(2) Uiso 0.5 1 d DG . P D 2
H33A H 0.7299 0.7594 0.3795 0.041 Uiso 0.5 1 calc R U P D 2
C34A C 0.7078(4) 0.8312(3) 0.3244(2) 0.048(2) Uiso 0.5 1 d DG . P D 2
H34A H 0.7187 0.8237 0.2947 0.057 Uiso 0.5 1 calc R U P D 2
C35A C 0.6817(4) 0.8810(2) 0.3298(2) 0.046(2) Uiso 0.5 1 d DG . P D 2
H35A H 0.6727 0.9118 0.3042 0.056 Uiso 0.5 1 calc R U P D 2
C36A C 0.6719(5) 0.8754(3) 0.3810(3) 0.052(3) Uiso 0.5 1 d DG . P D 2
H36A H 0.6553 0.9020 0.3949 0.062 Uiso 0.5 1 calc R U P D 2
C14 C 0.54569(19) 0.61812(15) 0.27080(14) 0.0372(8) Uani 1 1 d D U . . .
H14G H 0.5603 0.6584 0.2555 0.045 Uiso 0.5 1 calc R U P D 1
H14A H 0.5825 0.6011 0.2519 0.045 Uiso 0.5 1 calc R U P D 1
H14B H 0.5848 0.6140 0.2430 0.045 Uiso 0.5 1 calc R U P D 2
H14H H 0.5517 0.6568 0.2676 0.045 Uiso 0.5 1 calc R U P D 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 P1 2.1677(12) . ?
Cu1 Cl2 2.3183(10) . ?
Cu1 Cl1 2.4168(12) . ?
Cu1 Cl3 2.5827(12) . ?
Cu2 P2 2.1806(14) . ?
Cu2 Cl4 2.3907(12) . ?
Cu2 Cl2 2.4066(12) . ?
Cu2 Cl1 2.4875(11) . ?
Cu3 P3 2.1745(11) . ?
Cu3 Cl3 2.3998(12) . ?
Cu3 Cl1 2.4006(12) . ?
Cu3 Cl4 2.5104(11) . ?
Cu4 P4 2.1876(10) . ?
Cu4 Cl3 2.4023(10) . ?
Cu4 Cl4 2.4225(12) . ?
Cu4 Cl2 2.4881(12) . ?
Cu5 P5 2.1835(10) . ?
Cu5 Cl7 2.3712(13) . ?
Cu5 Cl5 2.4789(11) . ?
Cu5 Cl6 2.4795(12) . ?
Cu6 P6 2.1784(10) . ?
Cu6 Cl5 2.3629(12) . ?
Cu6 Cl6 2.3982(11) . ?
Cu6 Cl8 2.5425(14) . ?
Cu7 P7 2.1816(13) . ?
Cu7 Cl7 2.3822(11) . ?
Cu7 Cl8 2.4279(12) . ?
Cu7 Cl5 2.4890(14) . ?
Cu8 P8 2.1738(11) . ?
Cu8 Cl8 2.3212(11) . ?
Cu8 Cl6 2.4038(13) . ?
Cu8 Cl7 2.6370(13) . ?
Fe1 C10 2.007(4) . ?
Fe1 C9 2.007(4) . ?
Fe1 C4 2.019(4) . ?
Fe1 C11 2.020(4) . ?
Fe1 C8 2.027(4) . ?
Fe1 C5 2.033(4) . ?
Fe1 C12 2.035(4) . ?
Fe1 C6 2.041(3) . ?
Fe1 C7 2.043(3) . ?
Fe1 C3 2.051(3) . ?
Fe2 C17 2.035(4) . ?
Fe2 C23 2.037(4) . ?
Fe2 C21 2.037(5) . ?
Fe2 C24 2.038(4) . ?
Fe2 C22 2.039(4) . ?
Fe2 C20 2.039(4) . ?
Fe2 C19 2.040(4) . ?
Fe2 C18 2.046(4) . ?
Fe2 C16 2.047(4) . ?
Fe2 C15 2.064(4) . ?
Fe4 C44 2.033(3) . ?
Fe4 C42 2.036(3) . ?
Fe4 C40 2.037(3) . ?
Fe4 C41 2.039(3) . ?
Fe4 C45 2.041(3) . ?
Fe4 C48 2.042(3) . ?
Fe4 C43 2.043(3) . ?
Fe4 C46 2.045(3) . ?
Fe4 C47 2.045(3) . ?
Fe4 C39 2.054(3) . ?
Fe5 C54 2.023(3) . ?
Fe5 C53 2.026(3) . ?
Fe5 C57 2.042(3) . ?
Fe5 C56 2.043(3) . ?
Fe5 C58 2.044(3) . ?
Fe5 C55 2.045(3) . ?
Fe5 C59 2.047(3) . ?
Fe5 C52 2.051(3) . ?
Fe5 C60 2.053(3) . ?
Fe5 C51 2.062(3) . ?
Fe6 C65 2.033(3) . ?
Fe6 C64 2.033(3) . ?
Fe6 C68 2.035(4) . ?
Fe6 C69 2.036(3) . ?
Fe6 C70 2.037(3) . ?
Fe6 C66 2.039(3) . ?
Fe6 C63 2.040(3) . ?
Fe6 C72 2.042(4) . ?
Fe6 C67 2.043(3) . ?
Fe6 C71 2.046(4) . ?
Fe7 C84 2.029(3) . ?
Fe7 C78 2.031(3) . ?
Fe7 C83 2.033(3) . ?
Fe7 C77 2.035(3) . ?
Fe7 C82 2.040(3) . ?
Fe7 C80 2.042(3) . ?
Fe7 C81 2.044(3) . ?
Fe7 C76 2.048(3) . ?
Fe7 C79 2.051(3) . ?
Fe7 C75 2.068(3) . ?
Fe8 C90 2.037(3) . ?
Fe8 C96 2.038(4) . ?
Fe8 C89 2.045(3) . ?
Fe8 C93 2.046(3) . ?
Fe8 C94 2.047(3) . ?
Fe8 C92 2.048(3) . ?
Fe8 C95 2.049(3) . ?
Fe8 C88 2.052(3) . ?
Fe8 C91 2.052(3) . ?
Fe8 C87 2.060(3) . ?
Fe9 C108 2.028(3) . ?
Fe9 C104 2.034(3) . ?
Fe9 C101 2.036(3) . ?
Fe9 C102 2.037(3) . ?
Fe9 C107 2.037(3) . ?
Fe9 C100 2.040(3) . ?
Fe9 C105 2.040(3) . ?
Fe9 C106 2.042(3) . ?
Fe9 C103 2.045(3) . ?
Fe9 C99 2.045(3) . ?
Fe10 C113 2.016(3) . ?
Fe10 C114 2.020(3) . ?
Fe10 C116 2.024(3) . ?
Fe10 C117 2.029(3) . ?
Fe10 C115 2.030(3) . ?
Fe10 C112 2.032(3) . ?
Fe10 C111 2.037(3) . ?
Fe10 C118 2.036(3) . ?
Fe10 C120 2.037(3) . ?
Fe10 C119 2.040(3) . ?
Fe11 C130 2.033(4) . ?
Fe11 C131 2.035(4) . ?
Fe11 C132 2.041(4) . ?
Fe11 C127 2.042(4) . ?
Fe11 C126 2.046(4) . ?
Fe11 C123 2.046(3) . ?
Fe11 C128 2.047(4) . ?
Fe11 C125 2.050(3) . ?
Fe11 C124 2.052(3) . ?
Fe11 C129 2.054(5) . ?
Fe12 C137 2.034(3) . ?
Fe12 C136 2.037(3) . ?
Fe12 C138 2.038(3) . ?
Fe12 C140 2.042(3) . ?
Fe12 C141 2.042(3) . ?
Fe12 C143 2.048(4) . ?
Fe12 C139 2.049(3) . ?
Fe12 C142 2.053(3) . ?
Fe12 C135 2.053(3) . ?
Fe12 C144 2.053(4) . ?
Fe13 C154 2.028(3) . ?
Fe13 C151 2.030(3) . ?
Fe13 C153 2.031(4) . ?
Fe13 C150 2.032(3) . ?
Fe13 C149 2.034(3) . ?
Fe13 C148 2.042(3) . ?
Fe13 C155 2.043(3) . ?
Fe13 C156 2.044(3) . ?
Fe13 C152 2.046(3) . ?
Fe13 C147 2.050(3) . ?
Fe14 C163 2.030(3) . ?
Fe14 C162 2.033(3) . ?
Fe14 C167 2.034(3) . ?
Fe14 C168 2.036(3) . ?
Fe14 C166 2.036(3) . ?
Fe14 C165 2.037(4) . ?
Fe14 C164 2.041(4) . ?
Fe14 C159 2.041(3) . ?
Fe14 C161 2.045(3) . ?
Fe14 C160 2.049(3) . ?
Fe15 C177 2.010(3) . ?
Fe15 C178 2.010(4) . ?
Fe15 C179 2.013(4) . ?
Fe15 C180 2.021(3) . ?
Fe15 C176 2.021(3) . ?
Fe15 C172 2.036(3) . ?
Fe15 C174 2.036(3) . ?
Fe15 C175 2.037(3) . ?
Fe15 C171 2.038(3) . ?
Fe15 C173 2.042(3) . ?
Fe16 C189 2.029(3) . ?
Fe16 C190 2.029(3) . ?
Fe16 C188 2.040(3) . ?
Fe16 C187 2.041(3) . ?
Fe16 C186 2.041(3) . ?
Fe16 C184 2.043(3) . ?
Fe16 C183 2.044(3) . ?
Fe16 C185 2.046(3) . ?
Fe16 C191 2.046(3) . ?
Fe16 C192 2.047(4) . ?
Fe17 C196 2.038(3) . ?
Fe17 C200 2.040(3) . ?
Fe17 C201 2.041(3) . ?
Fe17 C197 2.041(3) . ?
Fe17 C198 2.042(3) . ?
Fe17 C204 2.047(3) . ?
Fe17 C203 2.053(3) . ?
Fe17 C202 2.055(3) . ?
Fe17 C199 2.056(3) . ?
Fe17 C195 2.064(3) . ?
Fe18 C207 2.026(3) . ?
Fe18 C208 2.031(3) . ?
Fe18 C213 2.032(3) . ?
Fe18 C212 2.033(4) . ?
Fe18 C214 2.043(3) . ?
Fe18 C211 2.044(3) . ?
Fe18 C216 2.045(4) . ?
Fe18 C215 2.047(3) . ?
Fe18 C210 2.053(3) . ?
Fe18 C209 2.055(3) . ?
Fe19 C220 2.035(3) . ?
Fe19 C224 2.039(3) . ?
Fe19 C225 2.041(3) . ?
Fe19 C221 2.042(3) . ?
Fe19 C226 2.042(3) . ?
Fe19 C223 2.043(3) . ?
Fe19 C219 2.045(3) . ?
Fe19 C228 2.048(3) . ?
Fe19 C222 2.055(3) . ?
Fe19 C227 2.056(3) . ?
Fe20 C233 2.028(3) . ?
Fe20 C232 2.032(3) . ?
Fe20 C234 2.036(3) . ?
Fe20 C238 2.038(3) . ?
Fe20 C240 2.041(3) . ?
Fe20 C235 2.045(3) . ?
Fe20 C239 2.046(3) . ?
Fe20 C237 2.047(3) . ?
Fe20 C236 2.047(3) . ?
Fe20 C231 2.048(3) . ?
Fe21 C243 2.026(3) . ?
Fe21 C248 2.031(3) . ?
Fe21 C246 2.034(3) . ?
Fe21 C247 2.034(3) . ?
Fe21 C244 2.035(3) . ?
Fe21 C249 2.037(3) . ?
Fe21 C252 2.040(3) . ?
Fe21 C251 2.040(3) . ?
Fe21 C245 2.043(4) . ?
Fe21 C250 2.046(3) . ?
Fe22 C262 2.032(3) . ?
Fe22 C258 2.033(3) . ?
Fe22 C257 2.033(4) . ?
Fe22 C263 2.035(3) . ?
Fe22 C256 2.041(4) . ?
Fe22 C259 2.042(3) . ?
Fe22 C261 2.045(4) . ?
Fe22 C255 2.046(3) . ?
Fe22 C264 2.051(4) . ?
Fe22 C260 2.055(3) . ?
Fe23 C270 2.034(3) . ?
Fe23 C275 2.035(3) . ?
Fe23 C272 2.036(3) . ?
Fe23 C276 2.037(3) . ?
Fe23 C271 2.038(3) . ?
Fe23 C274 2.039(3) . ?
Fe23 C273 2.041(3) . ?
Fe23 C268 2.047(3) . ?
Fe23 C269 2.048(3) . ?
Fe23 C267 2.050(3) . ?
P1 C13 1.757(6) . ?
P1 C25A 1.763(7) . ?
P1 C1 1.829(3) . ?
P1 C25 1.920(5) . ?
P1 C13A 1.959(8) . ?
P2 C61 1.833(3) . ?
P2 C49 1.834(3) . ?
P2 C37 1.836(3) . ?
P3 C85 1.823(3) . ?
P3 C97 1.827(3) . ?
P3 C73 1.851(3) . ?
P4 C133 1.833(3) . ?
P4 C109 1.839(3) . ?
P4 C121 1.841(3) . ?
P5 C157 1.833(3) . ?
P5 C169 1.835(3) . ?
P5 C145 1.841(3) . ?
P6 C181 1.829(3) . ?
P6 C193 1.830(3) . ?
P6 C205 1.834(3) . ?
P7 C229 1.833(3) . ?
P7 C217 1.838(3) . ?
P7 C241 1.842(3) . ?
P8 C265 1.829(3) . ?
P8 C277 1.830(3) . ?
P8 C253 1.832(3) . ?
C1 C2 1.532(4) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C3 1.496(4) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C7 1.417(4) . ?
C3 C4 1.421(4) . ?
C4 C5 1.423(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.400(5) . ?
C5 H5 0.9300 . ?
C6 C7 1.414(5) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.391(7) . ?
C8 C12 1.447(8) . ?
C8 H8 0.9300 . ?
C9 C10 1.340(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.351(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.416(7) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C15 C16 1.408(5) . ?
C15 C19 1.419(5) . ?
C15 C14 1.503(5) . ?
C16 C17 1.425(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.423(5) . ?
C17 H17 0.9300 . ?
C18 C19 1.418(5) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.387(6) . ?
C20 C24 1.411(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.404(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.387(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.405(6) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C37 C38 1.536(4) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 C39 1.501(4) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 C40 1.424(4) . ?
C39 C43 1.428(4) . ?
C40 C41 1.419(4) . ?
C40 H40 0.9300 . ?
C41 C42 1.410(5) . ?
C41 H41 0.9300 . ?
C42 C43 1.421(4) . ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?
C44 C48 1.408(5) . ?
C44 C45 1.416(5) . ?
C44 H44 0.9300 . ?
C45 C46 1.409(5) . ?
C45 H45 0.9300 . ?
C46 C47 1.412(6) . ?
C46 H46 0.9300 . ?
C47 C48 1.425(5) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
C49 C50 1.525(4) . ?
C49 H49A 0.9700 . ?
C49 H49B 0.9700 . ?
C50 C51 1.506(4) . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
C51 C52 1.427(4) . ?
C51 C55 1.434(4) . ?
C52 C53 1.427(4) . ?
C52 H52 0.9300 . ?
C53 C54 1.413(5) . ?
C53 H53 0.9300 . ?
C54 C55 1.418(4) . ?
C54 H54 0.9300 . ?
C55 H55 0.9300 . ?
C56 C60 1.407(4) . ?
C56 C57 1.423(4) . ?
C56 H56 0.9300 . ?
C57 C58 1.423(4) . ?
C57 H57 0.9300 . ?
C58 C59 1.411(4) . ?
C58 H58 0.9300 . ?
C59 C60 1.420(5) . ?
C59 H59 0.9300 . ?
C60 H60 0.9300 . ?
C61 C62 1.534(4) . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C62 C63 1.500(4) . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C63 C67 1.418(4) . ?
C63 C64 1.432(4) . ?
C64 C65 1.412(4) . ?
C64 H64 0.9300 . ?
C65 C66 1.416(4) . ?
C65 H65 0.9300 . ?
C66 C67 1.417(4) . ?
C66 H66 0.9300 . ?
C67 H67 0.9300 . ?
C68 C69 1.412(5) . ?
C68 C72 1.418(6) . ?
C68 H68 0.9300 . ?
C69 C70 1.422(5) . ?
C69 H69 0.9300 . ?
C70 C71 1.432(5) . ?
C70 H70 0.9300 . ?
C71 C72 1.427(6) . ?
C71 H71 0.9300 . ?
C72 H72 0.9300 . ?
C73 C74 1.499(4) . ?
C73 H73A 0.9700 . ?
C73 H73B 0.9700 . ?
C74 C75 1.510(4) . ?
C74 H74A 0.9700 . ?
C74 H74B 0.9700 . ?
C75 C76 1.402(5) . ?
C75 C79 1.429(4) . ?
C76 C77 1.407(4) . ?
C76 H76 0.9300 . ?
C77 C78 1.409(5) . ?
C77 H77 0.9300 . ?
C78 C79 1.429(4) . ?
C78 H78 0.9300 . ?
C79 H79 0.9300 . ?
C80 C84 1.411(4) . ?
C80 C81 1.424(5) . ?
C80 H80 0.9300 . ?
C81 C82 1.422(4) . ?
C81 H81 0.9300 . ?
C82 C83 1.416(5) . ?
C82 H82 0.9300 . ?
C83 C84 1.428(5) . ?
C83 H83 0.9300 . ?
C84 H84 0.9300 . ?
C85 C86 1.552(4) . ?
C85 H85A 0.9700 . ?
C85 H85B 0.9700 . ?
C86 C87 1.493(4) . ?
C86 H86A 0.9700 . ?
C86 H86B 0.9700 . ?
C87 C88 1.420(4) . ?
C87 C91 1.425(4) . ?
C88 C89 1.415(4) . ?
C88 H88 0.9300 . ?
C89 C90 1.420(5) . ?
C89 H89 0.9300 . ?
C90 C91 1.419(4) . ?
C90 H90 0.9300 . ?
C91 H91 0.9300 . ?
C92 C93 1.411(4) . ?
C92 C96 1.416(5) . ?
C92 H92 0.9300 . ?
C93 C94 1.403(5) . ?
C93 H93 0.9300 . ?
C94 C95 1.396(6) . ?
C94 H94 0.9300 . ?
C95 C96 1.417(6) . ?
C95 H95 0.9300 . ?
C96 H96 0.9300 . ?
C97 C98 1.529(4) . ?
C97 H97A 0.9700 . ?
C97 H97B 0.9700 . ?
C98 C99 1.497(4) . ?
C98 H98A 0.9700 . ?
C98 H98B 0.9700 . ?
C99 C103 1.422(4) . ?
C99 C100 1.425(4) . ?
C100 C101 1.419(4) . ?
C100 H100 0.9300 . ?
C101 C102 1.422(4) . ?
C101 H101 0.9300 . ?
C102 C103 1.415(4) . ?
C102 H102 0.9300 . ?
C103 H103 0.9300 . ?
C104 C105 1.411(4) . ?
C104 C108 1.420(4) . ?
C104 H104 0.9300 . ?
C105 C106 1.420(4) . ?
C105 H105 0.9300 . ?
C106 C107 1.419(4) . ?
C106 H106 0.9300 . ?
C107 C108 1.419(5) . ?
C107 H107 0.9300 . ?
C108 H108 0.9300 . ?
C109 C110 1.533(4) . ?
C109 H10A 0.9700 . ?
C109 H10B 0.9700 . ?
C110 C111 1.490(4) . ?
C110 H11A 0.9700 . ?
C110 H11B 0.9700 . ?
C111 C112 1.409(4) . ?
C111 C115 1.424(4) . ?
C112 C113 1.412(5) . ?
C112 H112 0.9300 . ?
C113 C114 1.402(6) . ?
C113 H113 0.9300 . ?
C114 C115 1.397(5) . ?
C114 H114 0.9300 . ?
C115 H115 0.9300 . ?
C116 C117 1.412(5) . ?
C116 C120 1.414(5) . ?
C116 H116 0.9300 . ?
C117 C118 1.426(5) . ?
C117 H117 0.9300 . ?
C118 C119 1.402(5) . ?
C118 H118 0.9300 . ?
C119 C120 1.416(4) . ?
C119 H119 0.9300 . ?
C120 H120 0.9300 . ?
C121 C122 1.531(4) . ?
C121 H12A 0.9700 . ?
C121 H12B 0.9700 . ?
C122 C123 1.501(4) . ?
C122 H12C 0.9700 . ?
C122 H12D 0.9700 . ?
C123 C127 1.425(4) . ?
C123 C124 1.427(4) . ?
C124 C125 1.421(4) . ?
C124 H124 0.9300 . ?
C125 C126 1.405(5) . ?
C125 H125 0.9300 . ?
C126 C127 1.431(4) . ?
C126 H126 0.9300 . ?
C127 H127 0.9300 . ?
C128 C129 1.402(6) . ?
C128 C132 1.423(6) . ?
C128 H128 0.9300 . ?
C129 C130 1.431(7) . ?
C129 H129 0.9300 . ?
C130 C131 1.409(7) . ?
C130 H130 0.9300 . ?
C131 C132 1.394(6) . ?
C131 H131 0.9300 . ?
C132 H132 0.9300 . ?
C133 C134 1.527(4) . ?
C133 H13C 0.9700 . ?
C133 H13D 0.9700 . ?
C134 C135 1.496(4) . ?
C134 H13E 0.9700 . ?
C134 H13F 0.9700 . ?
C135 C136 1.421(4) . ?
C135 C139 1.429(4) . ?
C136 C137 1.422(4) . ?
C136 H136 0.9300 . ?
C137 C138 1.404(5) . ?
C137 H137 0.9300 . ?
C138 C139 1.412(4) . ?
C138 H138 0.9300 . ?
C139 H139 0.9300 . ?
C140 C141 1.412(5) . ?
C140 C144 1.412(5) . ?
C140 H140 0.9300 . ?
C141 C142 1.400(5) . ?
C141 H141 0.9300 . ?
C142 C143 1.410(5) . ?
C142 H142 0.9300 . ?
C143 C144 1.423(5) . ?
C143 H143 0.9300 . ?
C144 H144 0.9300 . ?
C145 C146 1.533(4) . ?
C145 H14C 0.9700 . ?
C145 H14D 0.9700 . ?
C146 C147 1.510(4) . ?
C146 H14E 0.9700 . ?
C146 H14F 0.9700 . ?
C147 C148 1.412(4) . ?
C147 C151 1.431(4) . ?
C148 C149 1.427(4) . ?
C148 H148 0.9300 . ?
C149 C150 1.412(5) . ?
C149 H149 0.9300 . ?
C150 C151 1.411(4) . ?
C150 H150 0.9300 . ?
C151 H151 0.9300 . ?
C152 C156 1.408(5) . ?
C152 C153 1.415(5) . ?
C152 H152 0.9300 . ?
C153 C154 1.423(5) . ?
C153 H153 0.9300 . ?
C154 C155 1.400(5) . ?
C154 H154 0.9300 . ?
C155 C156 1.401(5) . ?
C155 H155 0.9300 . ?
C156 H156 0.9300 . ?
C157 C158 1.536(4) . ?
C157 H15A 0.9700 . ?
C157 H15B 0.9700 . ?
C158 C159 1.495(4) . ?
C158 H15C 0.9700 . ?
C158 H15D 0.9700 . ?
C159 C163 1.422(4) . ?
C159 C160 1.426(4) . ?
C160 C161 1.433(4) . ?
C160 H160 0.9300 . ?
C161 C162 1.406(4) . ?
C161 H161 0.9300 . ?
C162 C163 1.423(4) . ?
C162 H162 0.9300 . ?
C163 H163 0.9300 . ?
C164 C168 1.403(6) . ?
C164 C165 1.407(5) . ?
C164 H164 0.9300 . ?
C165 C166 1.413(5) . ?
C165 H165 0.9300 . ?
C166 C167 1.415(6) . ?
C166 H166 0.9300 . ?
C167 C168 1.410(5) . ?
C167 H167 0.9300 . ?
C168 H168 0.9300 . ?
C169 C170 1.527(4) . ?
C169 H16A 0.9700 . ?
C169 H16B 0.9700 . ?
C170 C171 1.501(4) . ?
C170 H17A 0.9700 . ?
C170 H17B 0.9700 . ?
C171 C172 1.417(4) . ?
C171 C175 1.418(4) . ?
C172 C173 1.425(4) . ?
C172 H172 0.9300 . ?
C173 C174 1.412(4) . ?
C173 H173 0.9300 . ?
C174 C175 1.429(4) . ?
C174 H174 0.9300 . ?
C175 H175 0.9300 . ?
C176 C180 1.420(6) . ?
C176 C177 1.434(6) . ?
C176 H176 0.9300 . ?
C177 C178 1.386(7) . ?
C177 H177 0.9300 . ?
C178 C179 1.325(7) . ?
C178 H178 0.9300 . ?
C179 C180 1.360(6) . ?
C179 H179 0.9300 . ?
C180 H180 0.9300 . ?
C181 C182 1.525(4) . ?
C181 H18A 0.9700 . ?
C181 H18B 0.9700 . ?
C182 C183 1.499(4) . ?
C182 H18C 0.9700 . ?
C182 H18D 0.9700 . ?
C183 C184 1.419(4) . ?
C183 C187 1.432(4) . ?
C184 C185 1.427(5) . ?
C184 H184 0.9300 . ?
C185 C186 1.421(6) . ?
C185 H185 0.9300 . ?
C186 C187 1.425(5) . ?
C186 H186 0.9300 . ?
C187 H187 0.9300 . ?
C188 C189 1.395(5) . ?
C188 C192 1.399(5) . ?
C188 H188 0.9300 . ?
C189 C190 1.413(5) . ?
C189 H189 0.9300 . ?
C190 C191 1.416(6) . ?
C190 H190 0.9300 . ?
C191 C192 1.409(5) . ?
C191 H191 0.9300 . ?
C192 H192 0.9300 . ?
C193 C194 1.534(4) . ?
C193 H19A 0.9700 . ?
C193 H19B 0.9700 . ?
C194 C195 1.501(4) . ?
C194 H19C 0.9700 . ?
C194 H19D 0.9700 . ?
C195 C199 1.420(4) . ?
C195 C196 1.438(4) . ?
C196 C197 1.420(4) . ?
C196 H196 0.9300 . ?
C197 C198 1.423(4) . ?
C197 H197 0.9300 . ?
C198 C199 1.428(4) . ?
C198 H198 0.9300 . ?
C199 H199 0.9300 . ?
C200 C201 1.413(5) . ?
C200 C204 1.415(5) . ?
C200 H200 0.9300 . ?
C201 C202 1.423(4) . ?
C201 H201 0.9300 . ?
C202 C203 1.421(4) . ?
C202 H202 0.9300 . ?
C203 C204 1.425(4) . ?
C203 H203 0.9300 . ?
C204 H204 0.9300 . ?
C205 C206 1.534(4) . ?
C205 H20A 0.9700 . ?
C205 H20B 0.9700 . ?
C206 C207 1.489(4) . ?
C206 H20C 0.9700 . ?
C206 H20D 0.9700 . ?
C207 C208 1.412(4) . ?
C207 C211 1.422(4) . ?
C208 C209 1.431(4) . ?
C208 H208 0.9300 . ?
C209 C210 1.423(4) . ?
C209 H209 0.9300 . ?
C210 C211 1.430(4) . ?
C210 H210 0.9300 . ?
C211 H211 0.9300 . ?
C212 C213 1.414(5) . ?
C212 C216 1.425(5) . ?
C212 H212 0.9300 . ?
C213 C214 1.413(5) . ?
C213 H213 0.9300 . ?
C214 C215 1.423(4) . ?
C214 H214 0.9300 . ?
C215 C216 1.409(5) . ?
C215 H215 0.9300 . ?
C216 H216 0.9300 . ?
C217 C218 1.538(4) . ?
C217 H21A 0.9700 . ?
C217 H21B 0.9700 . ?
C218 C219 1.509(4) . ?
C218 H21C 0.9700 . ?
C218 H21D 0.9700 . ?
C219 C220 1.425(4) . ?
C219 C223 1.429(4) . ?
C220 C221 1.423(4) . ?
C220 H220 0.9300 . ?
C221 C222 1.408(4) . ?
C221 H221 0.9300 . ?
C222 C223 1.422(4) . ?
C222 H222 0.9300 . ?
C223 H223 0.9300 . ?
C224 C225 1.419(5) . ?
C224 C228 1.422(5) . ?
C224 H224 0.9300 . ?
C225 C226 1.415(4) . ?
C225 H225 0.9300 . ?
C226 C227 1.412(4) . ?
C226 H226 0.9300 . ?
C227 C228 1.426(4) . ?
C227 H227 0.9300 . ?
C228 H228 0.9300 . ?
C229 C230 1.531(4) . ?
C229 H22A 0.9700 . ?
C229 H22B 0.9700 . ?
C230 C231 1.495(4) . ?
C230 H23A 0.9700 . ?
C230 H23B 0.9700 . ?
C231 C235 1.425(4) . ?
C231 C232 1.431(4) . ?
C232 C233 1.421(4) . ?
C232 H232 0.9300 . ?
C233 C234 1.408(4) . ?
C233 H233 0.9300 . ?
C234 C235 1.423(4) . ?
C234 H234 0.9300 . ?
C235 H235 0.9300 . ?
C236 C240 1.415(4) . ?
C236 C237 1.415(4) . ?
C236 H236 0.9300 . ?
C237 C238 1.425(4) . ?
C237 H237 0.9300 . ?
C238 C239 1.414(4) . ?
C238 H238 0.9300 . ?
C239 C240 1.419(4) . ?
C239 H239 0.9300 . ?
C240 H240 0.9300 . ?
C241 C242 1.536(4) . ?
C241 H24A 0.9700 . ?
C241 H24B 0.9700 . ?
C242 C243 1.503(4) . ?
C242 H24C 0.9700 . ?
C242 H24D 0.9700 . ?
C243 C247 1.410(4) . ?
C243 C244 1.423(4) . ?
C244 C245 1.416(4) . ?
C244 H244 0.9300 . ?
C245 C246 1.411(5) . ?
C245 H245 0.9300 . ?
C246 C247 1.429(5) . ?
C246 H246 0.9300 . ?
C247 H247 0.9300 . ?
C248 C252 1.410(5) . ?
C248 C249 1.422(5) . ?
C248 H248 0.9300 . ?
C249 C250 1.410(4) . ?
C249 H249 0.9300 . ?
C250 C251 1.426(5) . ?
C250 H250 0.9300 . ?
C251 C252 1.410(5) . ?
C251 H251 0.9300 . ?
C252 H252 0.9300 . ?
C253 C254 1.530(4) . ?
C253 H25A 0.9700 . ?
C253 H25B 0.9700 . ?
C254 C255 1.499(4) . ?
C254 H25C 0.9700 . ?
C254 H25D 0.9700 . ?
C255 C259 1.426(4) . ?
C255 C256 1.429(4) . ?
C256 C257 1.424(5) . ?
C256 H256 0.9300 . ?
C257 C258 1.417(5) . ?
C257 H257 0.9300 . ?
C258 C259 1.419(4) . ?
C258 H258 0.9300 . ?
C259 H259 0.9300 . ?
C260 C264 1.409(5) . ?
C260 C261 1.419(5) . ?
C260 H260 0.9300 . ?
C261 C262 1.413(5) . ?
C261 H261 0.9300 . ?
C262 C263 1.407(5) . ?
C262 H262 0.9300 . ?
C263 C264 1.424(5) . ?
C263 H263 0.9300 . ?
C264 H264 0.9300 . ?
C265 C266 1.537(4) . ?
C265 H26A 0.9700 . ?
C265 H26B 0.9700 . ?
C266 C267 1.485(4) . ?
C266 H26C 0.9700 . ?
C266 H26D 0.9700 . ?
C267 C271 1.428(4) . ?
C267 C268 1.430(4) . ?
C268 C269 1.422(4) . ?
C268 H268 0.9300 . ?
C269 C270 1.419(4) . ?
C269 H269 0.9300 . ?
C270 C271 1.419(5) . ?
C270 H270 0.9300 . ?
C271 H271 0.9300 . ?
C272 C273 1.407(5) . ?
C272 C276 1.412(6) . ?
C272 H272 0.9300 . ?
C273 C274 1.409(5) . ?
C273 H273 0.9300 . ?
C274 C275 1.422(5) . ?
C274 H274 0.9300 . ?
C275 C276 1.413(5) . ?
C275 H275 0.9300 . ?
C276 H276 0.9300 . ?
C277 C278 1.527(4) . ?
C277 H27A 0.9700 . ?
C277 H27B 0.9700 . ?
C278 C279 1.477(4) . ?
C278 C289 1.484(5) . ?
C278 H27C 0.9700 . ?
C278 H27D 0.9700 . ?
C278 H27E 0.9700 . ?
C278 H27F 0.9700 . ?
Fe24 C284 1.860(6) . ?
Fe24 C279 2.031(5) . ?
Fe24 C280 2.032(5) . ?
Fe24 C288 2.042(5) . ?
Fe24 C285 2.044(5) . ?
Fe24 C283 2.045(4) . ?
Fe24 C281 2.045(5) . ?
Fe24 C282 2.053(5) . ?
Fe24 C287 2.307(5) . ?
Fe24 C286 2.308(6) . ?
C279 C283 1.4200 . ?
C279 C280 1.4200 . ?
C280 C281 1.4200 . ?
C280 H280 0.9300 . ?
C281 C282 1.4200 . ?
C281 H281 0.9300 . ?
C282 C283 1.4200 . ?
C282 H282 0.9300 . ?
C283 H283 0.9300 . ?
C284 C288 1.4200 . ?
C284 C285 1.4200 . ?
C284 H284 0.9300 . ?
C285 C286 1.4200 . ?
C285 H285 0.9300 . ?
C286 C287 1.4200 . ?
C286 H286 0.9300 . ?
C287 C288 1.4200 . ?
C287 H287 0.9300 . ?
C288 H288 0.9300 . ?
Fe25 C294 1.690(7) . ?
Fe25 C298 1.848(7) . ?
Fe25 C295 1.919(6) . ?
Fe25 C291 2.012(7) . ?
Fe25 C290 2.012(6) . ?
Fe25 C292 2.029(6) . ?
Fe25 C289 2.030(6) . ?
Fe25 C293 2.041(6) . ?
Fe25 C297 2.141(7) . ?
Fe25 C296 2.179(6) . ?
C289 C290 1.4200 . ?
C289 C293 1.4200 . ?
C290 C291 1.4200 . ?
C290 H29B 0.9800 . ?
C291 C292 1.4200 . ?
C291 H29C 0.9800 . ?
C292 C293 1.4200 . ?
C292 H29D 0.9800 . ?
C293 H29E 0.9800 . ?
C294 C298 1.4200 . ?
C294 C295 1.4200 . ?
C294 H29F 0.9800 . ?
C295 C296 1.4200 . ?
C295 H29G 0.9800 . ?
C296 C297 1.4200 . ?
C296 H29H 0.9800 . ?
C297 C298 1.4200 . ?
C297 H29I 0.9800 . ?
C298 H29J 0.9800 . ?
C13 C14 1.626(7) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
Fe3 C33 2.030(5) . ?
Fe3 C34 2.032(5) . ?
Fe3 C31 2.036(5) . ?
Fe3 C32 2.039(6) . ?
Fe3 C35 2.042(5) . ?
Fe3 C27 2.044(5) . ?
Fe3 C30 2.046(8) . ?
Fe3 C36 2.046(5) . ?
Fe3 C28 2.059(6) . ?
Fe3 C29 2.060(8) . ?
C25 C26 0.981(8) . ?
C25 H25E 0.9700 . ?
C25 H25F 0.9700 . ?
C26 C27 1.562(8) . ?
C26 H26E 0.9700 . ?
C26 H26F 0.9700 . ?
C27 C31 1.4200 . ?
C27 C28 1.4200 . ?
C28 C29 1.4200 . ?
C28 H28 0.9300 . ?
C29 C30 1.4200 . ?
C29 H29 0.9300 . ?
C30 C31 1.4200 . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C32 C36 1.4200 . ?
C32 C33 1.4200 . ?
C32 H32 0.9300 . ?
C33 C34 1.4200 . ?
C33 H33 0.9300 . ?
C34 C35 1.4200 . ?
C34 H34 0.9300 . ?
C35 C36 1.4200 . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C13A C14 1.407(9) . ?
C13A H13G 0.9700 . ?
C13A H13H 0.9700 . ?
Fe3A C34A 2.028(7) . ?
Fe3A C33A 2.036(7) . ?
Fe3A C29A 2.037(7) . ?
Fe3A C30A 2.045(8) . ?
Fe3A C28A 2.049(6) . ?
Fe3A C35A 2.054(7) . ?
Fe3A C31A 2.061(6) . ?
Fe3A C27A 2.063(5) . ?
Fe3A C32A 2.067(8) . ?
Fe3A C36A 2.078(8) . ?
C25A C26A 1.201(8) . ?
C25A H25G 0.9700 . ?
C25A H25H 0.9700 . ?
C26A C27A 1.504(7) . ?
C26A H26G 0.9700 . ?
C26A H26H 0.9700 . ?
C27A C28A 1.4200 . ?
C27A C31A 1.4200 . ?
C28A C29A 1.4200 . ?
C28A H28A 0.9300 . ?
C29A C30A 1.4200 . ?
C29A H29A 0.9300 . ?
C30A C31A 1.4200 . ?
C30A H30A 0.9300 . ?
C31A H31A 0.9300 . ?
C32A C33A 1.4200 . ?
C32A C36A 1.4200 . ?
C32A H32A 0.9300 . ?
C33A C34A 1.4200 . ?
C33A H33A 0.9300 . ?
C34A C35A 1.4200 . ?
C34A H34A 0.9300 . ?
C35A C36A 1.4200 . ?
C35A H35A 0.9300 . ?
C36A H36A 0.9300 . ?
C14 H14G 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 H14H 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Cu1 Cl2 136.20(3) . . ?
P1 Cu1 Cl1 116.23(4) . . ?
Cl2 Cu1 Cl1 98.75(5) . . ?
P1 Cu1 Cl3 106.69(5) . . ?
Cl2 Cu1 Cl3 93.22(4) . . ?
Cl1 Cu1 Cl3 97.32(3) . . ?
P2 Cu2 Cl4 129.47(3) . . ?
P2 Cu2 Cl2 123.86(4) . . ?
Cl4 Cu2 Cl2 94.09(3) . . ?
P2 Cu2 Cl1 111.58(4) . . ?
Cl4 Cu2 Cl1 95.20(4) . . ?
Cl2 Cu2 Cl1 94.51(4) . . ?
P3 Cu3 Cl3 120.04(4) . . ?
P3 Cu3 Cl1 118.95(3) . . ?
Cl3 Cu3 Cl1 102.94(3) . . ?
P3 Cu3 Cl4 120.78(4) . . ?
Cl3 Cu3 Cl4 94.35(4) . . ?
Cl1 Cu3 Cl4 94.36(4) . . ?
P4 Cu4 Cl3 122.49(4) . . ?
P4 Cu4 Cl4 121.52(4) . . ?
Cl3 Cu4 Cl4 96.59(4) . . ?
P4 Cu4 Cl2 123.46(4) . . ?
Cl3 Cu4 Cl2 93.63(4) . . ?
Cl4 Cu4 Cl2 91.28(3) . . ?
P5 Cu5 Cl7 124.70(3) . . ?
P5 Cu5 Cl5 118.79(4) . . ?
Cl7 Cu5 Cl5 93.87(3) . . ?
P5 Cu5 Cl6 120.42(3) . . ?
Cl7 Cu5 Cl6 100.32(3) . . ?
Cl5 Cu5 Cl6 91.16(5) . . ?
P6 Cu6 Cl5 123.52(3) . . ?
P6 Cu6 Cl6 126.83(4) . . ?
Cl5 Cu6 Cl6 96.12(5) . . ?
P6 Cu6 Cl8 113.08(4) . . ?
Cl5 Cu6 Cl8 98.44(3) . . ?
Cl6 Cu6 Cl8 91.47(3) . . ?
P7 Cu7 Cl7 127.19(3) . . ?
P7 Cu7 Cl8 121.39(4) . . ?
Cl7 Cu7 Cl8 97.13(5) . . ?
P7 Cu7 Cl5 112.99(3) . . ?
Cl7 Cu7 Cl5 93.34(3) . . ?
Cl8 Cu7 Cl5 98.19(3) . . ?
P8 Cu8 Cl8 137.19(3) . . ?
P8 Cu8 Cl6 120.89(4) . . ?
Cl8 Cu8 Cl6 97.01(3) . . ?
P8 Cu8 Cl7 101.75(4) . . ?
Cl8 Cu8 Cl7 93.11(5) . . ?
Cl6 Cu8 Cl7 95.18(3) . . ?
C10 Fe1 C9 38.99(18) . . ?
C10 Fe1 C4 106.73(19) . . ?
C9 Fe1 C4 116.8(2) . . ?
C10 Fe1 C11 39.20(19) . . ?
C9 Fe1 C11 66.21(17) . . ?
C4 Fe1 C11 126.49(19) . . ?
C10 Fe1 C8 67.2(2) . . ?
C9 Fe1 C8 40.3(2) . . ?
C4 Fe1 C8 150.7(2) . . ?
C11 Fe1 C8 68.01(18) . . ?
C10 Fe1 C5 116.36(18) . . ?
C9 Fe1 C5 149.0(2) . . ?
C4 Fe1 C5 41.13(14) . . ?
C11 Fe1 C5 106.95(16) . . ?
C8 Fe1 C5 168.0(2) . . ?
C10 Fe1 C12 68.0(2) . . ?
C9 Fe1 C12 68.6(2) . . ?
C4 Fe1 C12 165.1(2) . . ?
C11 Fe1 C12 40.9(2) . . ?
C8 Fe1 C12 41.8(2) . . ?
C5 Fe1 C12 127.4(2) . . ?
C10 Fe1 C6 149.84(18) . . ?
C9 Fe1 C6 170.14(19) . . ?
C4 Fe1 C6 68.42(15) . . ?
C11 Fe1 C6 118.39(16) . . ?
C8 Fe1 C6 131.4(2) . . ?
C5 Fe1 C6 40.22(14) . . ?
C12 Fe1 C6 108.66(17) . . ?
C10 Fe1 C7 167.38(18) . . ?
C9 Fe1 C7 131.83(16) . . ?
C4 Fe1 C7 68.09(14) . . ?
C11 Fe1 C7 153.06(18) . . ?
C8 Fe1 C7 111.25(16) . . ?
C5 Fe1 C7 67.93(14) . . ?
C12 Fe1 C7 119.87(18) . . ?
C6 Fe1 C7 40.52(13) . . ?
C10 Fe1 C3 128.23(18) . . ?
C9 Fe1 C3 109.32(16) . . ?
C4 Fe1 C3 40.86(12) . . ?
C11 Fe1 C3 164.70(19) . . ?
C8 Fe1 C3 118.91(17) . . ?
C5 Fe1 C3 68.85(13) . . ?
C12 Fe1 C3 153.1(2) . . ?
C6 Fe1 C3 68.57(13) . . ?
C7 Fe1 C3 40.48(12) . . ?
C17 Fe2 C23 129.00(19) . . ?
C17 Fe2 C21 118.2(2) . . ?
C23 Fe2 C21 67.03(18) . . ?
C17 Fe2 C24 167.08(18) . . ?
C23 Fe2 C24 40.34(18) . . ?
C21 Fe2 C24 67.50(19) . . ?
C17 Fe2 C22 108.36(19) . . ?
C23 Fe2 C22 39.81(17) . . ?
C21 Fe2 C22 40.31(18) . . ?
C24 Fe2 C22 67.79(19) . . ?
C17 Fe2 C20 150.91(19) . . ?
C23 Fe2 C20 67.47(18) . . ?
C21 Fe2 C20 39.80(19) . . ?
C24 Fe2 C20 40.51(18) . . ?
C22 Fe2 C20 67.62(19) . . ?
C17 Fe2 C19 68.48(16) . . ?
C23 Fe2 C19 119.09(17) . . ?
C21 Fe2 C19 166.55(18) . . ?
C24 Fe2 C19 108.67(17) . . ?
C22 Fe2 C19 151.75(17) . . ?
C20 Fe2 C19 129.04(17) . . ?
C17 Fe2 C18 40.80(15) . . ?
C23 Fe2 C18 109.18(18) . . ?
C21 Fe2 C18 151.73(19) . . ?
C24 Fe2 C18 129.00(17) . . ?
C22 Fe2 C18 118.39(19) . . ?
C20 Fe2 C18 167.18(18) . . ?
C19 Fe2 C18 40.61(14) . . ?
C17 Fe2 C16 40.87(15) . . ?
C23 Fe2 C16 167.09(18) . . ?
C21 Fe2 C16 108.86(17) . . ?
C24 Fe2 C16 151.01(18) . . ?
C22 Fe2 C16 129.23(17) . . ?
C20 Fe2 C16 117.89(17) . . ?
C19 Fe2 C16 67.80(15) . . ?
C18 Fe2 C16 68.22(15) . . ?
C17 Fe2 C15 68.39(16) . . ?
C23 Fe2 C15 152.01(17) . . ?
C21 Fe2 C15 128.74(16) . . ?
C24 Fe2 C15 118.23(17) . . ?
C22 Fe2 C15 166.69(16) . . ?
C20 Fe2 C15 108.52(16) . . ?
C19 Fe2 C15 40.46(14) . . ?
C18 Fe2 C15 68.22(15) . . ?
C16 Fe2 C15 40.07(14) . . ?
C44 Fe4 C42 161.17(15) . . ?
C44 Fe4 C40 106.72(13) . . ?
C42 Fe4 C40 68.17(12) . . ?
C44 Fe4 C41 123.96(15) . . ?
C42 Fe4 C41 40.47(14) . . ?
C40 Fe4 C41 40.74(12) . . ?
C44 Fe4 C45 40.67(14) . . ?
C42 Fe4 C45 124.71(14) . . ?
C40 Fe4 C45 119.70(14) . . ?
C41 Fe4 C45 106.53(15) . . ?
C44 Fe4 C48 40.42(14) . . ?
C42 Fe4 C48 157.18(14) . . ?
C40 Fe4 C48 124.99(13) . . ?
C41 Fe4 C48 161.31(14) . . ?
C45 Fe4 C48 68.07(15) . . ?
C44 Fe4 C43 156.09(13) . . ?
C42 Fe4 C43 40.78(13) . . ?
C40 Fe4 C43 68.45(12) . . ?
C41 Fe4 C43 68.60(14) . . ?
C45 Fe4 C43 162.33(13) . . ?
C48 Fe4 C43 121.89(14) . . ?
C44 Fe4 C46 68.21(13) . . ?
C42 Fe4 C46 108.21(13) . . ?
C40 Fe4 C46 154.77(15) . . ?
C41 Fe4 C46 120.15(15) . . ?
C45 Fe4 C46 40.34(14) . . ?
C48 Fe4 C46 68.13(14) . . ?
C43 Fe4 C46 126.17(13) . . ?
C44 Fe4 C47 68.38(14) . . ?
C42 Fe4 C47 121.72(14) . . ?
C40 Fe4 C47 162.85(14) . . ?
C41 Fe4 C47 155.64(14) . . ?
C45 Fe4 C47 68.06(16) . . ?
C48 Fe4 C47 40.82(14) . . ?
C43 Fe4 C47 108.95(14) . . ?
C46 Fe4 C47 40.39(16) . . ?
C44 Fe4 C39 120.29(12) . . ?
C42 Fe4 C39 68.50(12) . . ?
C40 Fe4 C39 40.74(12) . . ?
C41 Fe4 C39 68.72(12) . . ?
C45 Fe4 C39 155.01(13) . . ?
C48 Fe4 C39 108.16(12) . . ?
C43 Fe4 C39 40.79(11) . . ?
C46 Fe4 C39 163.33(14) . . ?
C47 Fe4 C39 126.28(14) . . ?
C54 Fe5 C53 40.86(13) . . ?
C54 Fe5 C57 156.42(13) . . ?
C53 Fe5 C57 121.71(13) . . ?
C54 Fe5 C56 160.08(14) . . ?
C53 Fe5 C56 158.51(13) . . ?
C57 Fe5 C56 40.77(12) . . ?
C54 Fe5 C58 119.92(13) . . ?
C53 Fe5 C58 106.34(13) . . ?
C57 Fe5 C58 40.77(12) . . ?
C56 Fe5 C58 68.38(12) . . ?
C54 Fe5 C55 40.79(12) . . ?
C53 Fe5 C55 68.77(13) . . ?
C57 Fe5 C55 161.99(12) . . ?
C56 Fe5 C55 124.73(13) . . ?
C58 Fe5 C55 155.59(12) . . ?
C54 Fe5 C59 105.79(13) . . ?
C53 Fe5 C59 122.37(13) . . ?
C57 Fe5 C59 68.15(12) . . ?
C56 Fe5 C59 67.94(13) . . ?
C58 Fe5 C59 40.36(13) . . ?
C55 Fe5 C59 120.66(13) . . ?
C54 Fe5 C52 68.57(13) . . ?
C53 Fe5 C52 40.97(12) . . ?
C57 Fe5 C52 108.92(12) . . ?
C56 Fe5 C52 123.66(12) . . ?
C58 Fe5 C52 124.50(12) . . ?
C55 Fe5 C52 68.39(13) . . ?
C59 Fe5 C52 160.02(13) . . ?
C54 Fe5 C60 122.93(14) . . ?
C53 Fe5 C60 159.10(13) . . ?
C57 Fe5 C60 68.16(13) . . ?
C56 Fe5 C60 40.19(13) . . ?
C58 Fe5 C60 68.15(13) . . ?
C55 Fe5 C60 107.44(14) . . ?
C59 Fe5 C60 40.51(13) . . ?
C52 Fe5 C60 158.54(13) . . ?
C54 Fe5 C51 68.82(12) . . ?
C53 Fe5 C51 68.95(12) . . ?
C57 Fe5 C51 125.53(12) . . ?
C56 Fe5 C51 109.16(12) . . ?
C58 Fe5 C51 161.70(12) . . ?
C55 Fe5 C51 40.88(12) . . ?
C59 Fe5 C51 157.12(13) . . ?
C52 Fe5 C51 40.59(11) . . ?
C60 Fe5 C51 122.51(13) . . ?
C65 Fe6 C64 40.65(12) . . ?
C65 Fe6 C68 154.70(15) . . ?
C64 Fe6 C68 120.44(16) . . ?
C65 Fe6 C69 119.15(14) . . ?
C64 Fe6 C69 106.43(14) . . ?
C68 Fe6 C69 40.60(14) . . ?
C65 Fe6 C70 105.54(15) . . ?
C64 Fe6 C70 123.15(13) . . ?
C68 Fe6 C70 68.84(16) . . ?
C69 Fe6 C70 40.85(15) . . ?
C65 Fe6 C66 40.70(13) . . ?
C64 Fe6 C66 68.62(13) . . ?
C68 Fe6 C66 163.66(14) . . ?
C69 Fe6 C66 154.30(14) . . ?
C70 Fe6 C66 119.29(15) . . ?
C65 Fe6 C63 68.94(12) . . ?
C64 Fe6 C63 41.17(11) . . ?
C68 Fe6 C63 108.01(15) . . ?
C69 Fe6 C63 124.81(14) . . ?
C70 Fe6 C63 161.16(13) . . ?
C66 Fe6 C63 69.02(13) . . ?
C65 Fe6 C72 162.20(18) . . ?
C64 Fe6 C72 156.53(17) . . ?
C68 Fe6 C72 40.72(17) . . ?
C69 Fe6 C72 68.30(16) . . ?
C70 Fe6 C72 68.76(16) . . ?
C66 Fe6 C72 126.13(17) . . ?
C63 Fe6 C72 121.79(15) . . ?
C65 Fe6 C67 68.10(13) . . ?
C64 Fe6 C67 68.23(13) . . ?
C68 Fe6 C67 126.89(14) . . ?
C69 Fe6 C67 162.96(14) . . ?
C70 Fe6 C67 155.69(14) . . ?
C66 Fe6 C67 40.63(13) . . ?
C63 Fe6 C67 40.64(12) . . ?
C72 Fe6 C67 109.75(15) . . ?
C65 Fe6 C71 123.98(17) . . ?
C64 Fe6 C71 160.63(15) . . ?
C68 Fe6 C71 68.86(19) . . ?
C69 Fe6 C71 68.71(16) . . ?
C70 Fe6 C71 41.06(14) . . ?
C66 Fe6 C71 107.16(17) . . ?
C63 Fe6 C71 156.78(13) . . ?
C72 Fe6 C71 40.85(18) . . ?
C67 Fe6 C71 121.70(14) . . ?
C84 Fe7 C78 124.56(14) . . ?
C84 Fe7 C83 41.16(14) . . ?
C78 Fe7 C83 107.08(13) . . ?
C84 Fe7 C77 161.91(13) . . ?
C78 Fe7 C77 40.56(13) . . ?
C83 Fe7 C77 124.89(13) . . ?
C84 Fe7 C82 69.03(15) . . ?
C78 Fe7 C82 120.27(13) . . ?
C83 Fe7 C82 40.68(15) . . ?
C77 Fe7 C82 107.65(13) . . ?
C84 Fe7 C80 40.56(12) . . ?
C78 Fe7 C80 161.77(14) . . ?
C83 Fe7 C80 68.45(13) . . ?
C77 Fe7 C80 156.38(13) . . ?
C82 Fe7 C80 68.65(13) . . ?
C84 Fe7 C81 68.70(14) . . ?
C78 Fe7 C81 155.75(13) . . ?
C83 Fe7 C81 68.41(13) . . ?
C77 Fe7 C81 121.15(14) . . ?
C82 Fe7 C81 40.75(13) . . ?
C80 Fe7 C81 40.80(13) . . ?
C84 Fe7 C76 156.08(13) . . ?
C78 Fe7 C76 68.51(13) . . ?
C83 Fe7 C76 161.51(15) . . ?
C77 Fe7 C76 40.29(12) . . ?
C82 Fe7 C76 124.74(14) . . ?
C80 Fe7 C76 121.34(13) . . ?
C81 Fe7 C76 107.80(13) . . ?
C84 Fe7 C79 107.84(15) . . ?
C78 Fe7 C79 40.97(12) . . ?
C83 Fe7 C79 121.58(15) . . ?
C77 Fe7 C79 67.67(13) . . ?
C82 Fe7 C79 156.41(13) . . ?
C80 Fe7 C79 125.08(13) . . ?
C81 Fe7 C79 161.76(12) . . ?
C76 Fe7 C79 67.65(14) . . ?
C84 Fe7 C75 121.37(14) . . ?
C78 Fe7 C75 68.79(12) . . ?
C83 Fe7 C75 157.10(15) . . ?
C77 Fe7 C75 67.48(12) . . ?
C82 Fe7 C75 161.11(14) . . ?
C80 Fe7 C75 108.04(12) . . ?
C81 Fe7 C75 124.69(12) . . ?
C76 Fe7 C75 39.84(13) . . ?
C79 Fe7 C75 40.60(12) . . ?
C90 Fe8 C96 124.48(14) . . ?
C90 Fe8 C89 40.71(13) . . ?
C96 Fe8 C89 162.06(14) . . ?
C90 Fe8 C93 157.70(13) . . ?
C96 Fe8 C93 67.85(14) . . ?
C89 Fe8 C93 122.46(13) . . ?
C90 Fe8 C94 122.76(13) . . ?
C96 Fe8 C94 67.62(16) . . ?
C89 Fe8 C94 109.75(14) . . ?
C93 Fe8 C94 40.10(13) . . ?
C90 Fe8 C92 160.71(14) . . ?
C96 Fe8 C92 40.55(13) . . ?
C89 Fe8 C92 156.56(13) . . ?
C93 Fe8 C92 40.31(13) . . ?
C94 Fe8 C92 67.62(13) . . ?
C90 Fe8 C95 108.59(14) . . ?
C96 Fe8 C95 40.57(16) . . ?
C89 Fe8 C95 126.03(15) . . ?
C93 Fe8 C95 67.45(14) . . ?
C94 Fe8 C95 39.83(16) . . ?
C92 Fe8 C95 67.95(14) . . ?
C90 Fe8 C88 68.09(12) . . ?
C96 Fe8 C88 155.48(14) . . ?
C89 Fe8 C88 40.42(12) . . ?
C93 Fe8 C88 108.73(13) . . ?
C94 Fe8 C88 126.45(14) . . ?
C92 Fe8 C88 120.94(12) . . ?
C95 Fe8 C88 162.67(15) . . ?
C90 Fe8 C91 40.61(12) . . ?
C96 Fe8 C91 106.73(14) . . ?
C89 Fe8 C91 68.33(13) . . ?
C93 Fe8 C91 160.64(13) . . ?
C94 Fe8 C91 156.94(13) . . ?
C92 Fe8 C91 123.59(13) . . ?
C95 Fe8 C91 121.37(15) . . ?
C88 Fe8 C91 68.01(12) . . ?
C90 Fe8 C87 68.26(12) . . ?
C96 Fe8 C87 120.02(15) . . ?
C89 Fe8 C87 68.22(12) . . ?
C93 Fe8 C87 124.62(12) . . ?
C94 Fe8 C87 161.94(14) . . ?
C92 Fe8 C87 106.68(12) . . ?
C95 Fe8 C87 155.86(16) . . ?
C88 Fe8 C87 40.40(11) . . ?
C91 Fe8 C87 40.54(11) . . ?
C108 Fe9 C104 40.94(12) . . ?
C108 Fe9 C101 156.29(12) . . ?
C104 Fe9 C101 161.56(12) . . ?
C108 Fe9 C102 120.42(12) . . ?
C104 Fe9 C102 156.13(13) . . ?
C101 Fe9 C102 40.86(11) . . ?
C108 Fe9 C107 40.87(13) . . ?
C104 Fe9 C107 68.73(13) . . ?
C101 Fe9 C107 121.13(13) . . ?
C102 Fe9 C107 106.91(12) . . ?
C108 Fe9 C100 161.15(12) . . ?
C104 Fe9 C100 124.56(12) . . ?
C101 Fe9 C100 40.74(11) . . ?
C102 Fe9 C100 68.68(12) . . ?
C107 Fe9 C100 156.89(13) . . ?
C108 Fe9 C105 68.45(12) . . ?
C104 Fe9 C105 40.51(12) . . ?
C101 Fe9 C105 125.11(12) . . ?
C102 Fe9 C105 161.66(13) . . ?
C107 Fe9 C105 68.41(13) . . ?
C100 Fe9 C105 108.25(12) . . ?
C108 Fe9 C106 68.68(13) . . ?
C104 Fe9 C106 68.61(13) . . ?
C101 Fe9 C106 107.78(13) . . ?
C102 Fe9 C106 124.31(13) . . ?
C107 Fe9 C106 40.71(12) . . ?
C100 Fe9 C106 121.76(12) . . ?
C105 Fe9 C106 40.72(12) . . ?
C108 Fe9 C103 106.94(12) . . ?
C104 Fe9 C103 121.08(13) . . ?
C101 Fe9 C103 68.32(12) . . ?
C102 Fe9 C103 40.57(12) . . ?
C107 Fe9 C103 123.96(12) . . ?
C100 Fe9 C103 68.34(11) . . ?
C105 Fe9 C103 156.73(12) . . ?
C106 Fe9 C103 160.89(12) . . ?
C108 Fe9 C99 123.82(12) . . ?
C104 Fe9 C99 107.22(12) . . ?
C101 Fe9 C99 68.68(12) . . ?
C102 Fe9 C99 68.73(12) . . ?
C107 Fe9 C99 160.70(12) . . ?
C100 Fe9 C99 40.81(11) . . ?
C105 Fe9 C99 121.58(12) . . ?
C106 Fe9 C99 157.13(12) . . ?
C103 Fe9 C99 40.70(11) . . ?
C113 Fe10 C114 40.67(19) . . ?
C113 Fe10 C116 155.31(18) . . ?
C114 Fe10 C116 161.75(19) . . ?
C113 Fe10 C117 163.69(18) . . ?
C114 Fe10 C117 124.53(19) . . ?
C116 Fe10 C117 40.79(14) . . ?
C113 Fe10 C115 67.72(18) . . ?
C114 Fe10 C115 40.37(15) . . ?
C116 Fe10 C115 124.50(16) . . ?
C117 Fe10 C115 105.08(16) . . ?
C113 Fe10 C112 40.82(15) . . ?
C114 Fe10 C112 68.91(18) . . ?
C116 Fe10 C112 119.20(15) . . ?
C117 Fe10 C112 151.99(14) . . ?
C115 Fe10 C112 68.25(15) . . ?
C113 Fe10 C111 68.33(13) . . ?
C114 Fe10 C111 68.95(13) . . ?
C116 Fe10 C111 105.82(13) . . ?
C117 Fe10 C111 116.57(14) . . ?
C115 Fe10 C111 40.99(12) . . ?
C112 Fe10 C111 40.52(12) . . ?
C113 Fe10 C118 127.85(15) . . ?
C114 Fe10 C118 106.96(16) . . ?
C116 Fe10 C118 68.84(14) . . ?
C117 Fe10 C118 41.08(14) . . ?
C115 Fe10 C118 117.60(15) . . ?
C112 Fe10 C118 166.39(14) . . ?
C111 Fe10 C118 151.53(13) . . ?
C113 Fe10 C120 122.49(18) . . ?
C114 Fe10 C120 155.86(16) . . ?
C116 Fe10 C120 40.73(14) . . ?
C117 Fe10 C120 68.38(15) . . ?
C115 Fe10 C120 163.32(14) . . ?
C112 Fe10 C120 109.87(15) . . ?
C111 Fe10 C120 126.80(13) . . ?
C118 Fe10 C120 68.26(13) . . ?
C113 Fe10 C119 110.96(15) . . ?
C114 Fe10 C119 120.44(14) . . ?
C116 Fe10 C119 68.58(14) . . ?
C117 Fe10 C119 68.36(14) . . ?
C115 Fe10 C119 152.94(13) . . ?
C112 Fe10 C119 129.69(14) . . ?
C111 Fe10 C119 165.79(12) . . ?
C118 Fe10 C119 40.24(13) . . ?
C120 Fe10 C119 40.66(13) . . ?
C130 Fe11 C131 40.5(2) . . ?
C130 Fe11 C132 67.39(19) . . ?
C131 Fe11 C132 39.98(16) . . ?
C130 Fe11 C127 118.61(16) . . ?
C131 Fe11 C127 104.75(17) . . ?
C132 Fe11 C127 123.27(16) . . ?
C130 Fe11 C126 153.6(2) . . ?
C131 Fe11 C126 118.6(2) . . ?
C132 Fe11 C126 107.24(17) . . ?
C127 Fe11 C126 40.97(13) . . ?
C130 Fe11 C123 106.76(14) . . ?
C131 Fe11 C123 122.98(14) . . ?
C132 Fe11 C123 159.68(14) . . ?
C127 Fe11 C123 40.79(12) . . ?
C126 Fe11 C123 68.81(13) . . ?
C130 Fe11 C128 67.15(16) . . ?
C131 Fe11 C128 67.85(16) . . ?
C132 Fe11 C128 40.75(15) . . ?
C127 Fe11 C128 162.04(15) . . ?
C126 Fe11 C128 126.77(15) . . ?
C123 Fe11 C128 156.95(15) . . ?
C130 Fe11 C125 164.5(2) . . ?
C131 Fe11 C125 154.5(2) . . ?
C132 Fe11 C125 122.10(16) . . ?
C127 Fe11 C125 68.17(14) . . ?
C126 Fe11 C125 40.13(14) . . ?
C123 Fe11 C125 68.56(12) . . ?
C128 Fe11 C125 111.03(14) . . ?
C130 Fe11 C124 126.50(18) . . ?
C131 Fe11 C124 161.57(15) . . ?
C132 Fe11 C124 158.01(13) . . ?
C127 Fe11 C124 68.23(13) . . ?
C126 Fe11 C124 68.07(13) . . ?
C123 Fe11 C124 40.75(11) . . ?
C128 Fe11 C124 123.70(14) . . ?
C125 Fe11 C124 40.54(12) . . ?
C130 Fe11 C129 41.00(19) . . ?
C131 Fe11 C129 69.1(2) . . ?
C132 Fe11 C129 68.56(18) . . ?
C127 Fe11 C129 154.69(14) . . ?
C126 Fe11 C129 163.63(16) . . ?
C123 Fe11 C129 120.73(14) . . ?
C128 Fe11 C129 39.98(16) . . ?
C125 Fe11 C129 127.60(17) . . ?
C124 Fe11 C129 109.53(16) . . ?
C137 Fe12 C136 40.87(12) . . ?
C137 Fe12 C138 40.34(13) . . ?
C136 Fe12 C138 68.34(13) . . ?
C137 Fe12 C140 152.83(14) . . ?
C136 Fe12 C140 118.52(14) . . ?
C138 Fe12 C140 165.41(14) . . ?
C137 Fe12 C141 118.83(14) . . ?
C136 Fe12 C141 107.22(13) . . ?
C138 Fe12 C141 153.10(14) . . ?
C140 Fe12 C141 40.45(14) . . ?
C137 Fe12 C143 127.18(16) . . ?
C136 Fe12 C143 164.15(15) . . ?
C138 Fe12 C143 109.14(15) . . ?
C140 Fe12 C143 67.93(16) . . ?
C141 Fe12 C143 67.51(15) . . ?
C137 Fe12 C139 67.91(13) . . ?
C136 Fe12 C139 68.12(12) . . ?
C138 Fe12 C139 40.41(12) . . ?
C140 Fe12 C139 127.67(13) . . ?
C141 Fe12 C139 164.68(13) . . ?
C143 Fe12 C139 120.85(14) . . ?
C137 Fe12 C142 107.89(15) . . ?
C136 Fe12 C142 126.30(14) . . ?
C138 Fe12 C142 119.91(15) . . ?
C140 Fe12 C142 67.80(15) . . ?
C141 Fe12 C142 40.00(14) . . ?
C143 Fe12 C142 40.21(15) . . ?
C139 Fe12 C142 154.40(14) . . ?
C137 Fe12 C135 68.63(13) . . ?
C136 Fe12 C135 40.66(11) . . ?
C138 Fe12 C135 68.63(12) . . ?
C140 Fe12 C135 107.47(13) . . ?
C141 Fe12 C135 126.30(13) . . ?
C143 Fe12 C135 154.45(14) . . ?
C139 Fe12 C135 40.79(11) . . ?
C142 Fe12 C135 163.49(14) . . ?
C137 Fe12 C144 165.20(14) . . ?
C136 Fe12 C144 153.07(14) . . ?
C138 Fe12 C144 128.23(14) . . ?
C140 Fe12 C144 40.34(14) . . ?
C141 Fe12 C144 67.78(14) . . ?
C143 Fe12 C144 40.59(16) . . ?
C139 Fe12 C144 109.33(13) . . ?
C142 Fe12 C144 67.90(15) . . ?
C135 Fe12 C144 119.52(13) . . ?
C154 Fe13 C151 155.35(15) . . ?
C154 Fe13 C153 41.05(16) . . ?
C151 Fe13 C153 162.05(15) . . ?
C154 Fe13 C150 120.03(14) . . ?
C151 Fe13 C150 40.67(12) . . ?
C153 Fe13 C150 156.26(16) . . ?
C154 Fe13 C149 106.76(14) . . ?
C151 Fe13 C149 68.53(13) . . ?
C153 Fe13 C149 121.46(15) . . ?
C150 Fe13 C149 40.65(14) . . ?
C154 Fe13 C148 124.90(14) . . ?
C151 Fe13 C148 68.36(13) . . ?
C153 Fe13 C148 108.43(14) . . ?
C150 Fe13 C148 68.47(13) . . ?
C149 Fe13 C148 40.98(12) . . ?
C154 Fe13 C155 40.22(15) . . ?
C151 Fe13 C155 120.80(15) . . ?
C153 Fe13 C155 68.12(15) . . ?
C150 Fe13 C155 106.70(14) . . ?
C149 Fe13 C155 123.48(13) . . ?
C148 Fe13 C155 160.94(13) . . ?
C154 Fe13 C156 67.81(15) . . ?
C151 Fe13 C156 107.88(14) . . ?
C153 Fe13 C156 67.99(16) . . ?
C150 Fe13 C156 123.90(15) . . ?
C149 Fe13 C156 160.00(14) . . ?
C148 Fe13 C156 157.78(13) . . ?
C155 Fe13 C156 40.10(14) . . ?
C154 Fe13 C152 68.39(15) . . ?
C151 Fe13 C152 125.06(14) . . ?
C153 Fe13 C152 40.61(16) . . ?
C150 Fe13 C152 160.92(15) . . ?
C149 Fe13 C152 157.67(15) . . ?
C148 Fe13 C152 122.68(13) . . ?
C155 Fe13 C152 67.78(14) . . ?
C156 Fe13 C152 40.27(14) . . ?
C154 Fe13 C147 161.84(15) . . ?
C151 Fe13 C147 41.07(12) . . ?
C153 Fe13 C147 125.12(14) . . ?
C150 Fe13 C147 68.75(12) . . ?
C149 Fe13 C147 68.70(12) . . ?
C148 Fe13 C147 40.36(11) . . ?
C155 Fe13 C147 156.92(14) . . ?
C156 Fe13 C147 122.40(13) . . ?
C152 Fe13 C147 108.72(12) . . ?
C163 Fe14 C162 40.99(13) . . ?
C163 Fe14 C167 128.34(17) . . ?
C162 Fe14 C167 108.89(16) . . ?
C163 Fe14 C168 107.70(15) . . ?
C162 Fe14 C168 118.79(16) . . ?
C167 Fe14 C168 40.52(14) . . ?
C163 Fe14 C166 167.24(16) . . ?
C162 Fe14 C166 129.44(14) . . ?
C167 Fe14 C166 40.70(17) . . ?
C168 Fe14 C166 67.95(16) . . ?
C163 Fe14 C165 150.36(14) . . ?
C162 Fe14 C165 167.34(13) . . ?
C167 Fe14 C165 68.40(18) . . ?
C168 Fe14 C165 67.80(17) . . ?
C166 Fe14 C165 40.60(15) . . ?
C163 Fe14 C164 116.98(14) . . ?
C162 Fe14 C164 151.40(14) . . ?
C167 Fe14 C164 68.25(15) . . ?
C168 Fe14 C164 40.26(16) . . ?
C166 Fe14 C164 68.07(14) . . ?
C165 Fe14 C164 40.36(14) . . ?
C163 Fe14 C159 40.89(12) . . ?
C162 Fe14 C159 69.25(13) . . ?
C167 Fe14 C159 165.30(14) . . ?
C168 Fe14 C159 126.58(13) . . ?
C166 Fe14 C159 151.35(16) . . ?
C165 Fe14 C159 116.65(15) . . ?
C164 Fe14 C159 106.01(13) . . ?
C163 Fe14 C161 68.31(13) . . ?
C162 Fe14 C161 40.32(12) . . ?
C167 Fe14 C161 119.53(14) . . ?
C168 Fe14 C161 152.73(15) . . ?
C166 Fe14 C161 109.67(13) . . ?
C165 Fe14 C161 129.24(14) . . ?
C164 Fe14 C161 166.30(15) . . ?
C159 Fe14 C161 69.13(12) . . ?
C163 Fe14 C160 68.16(12) . . ?
C162 Fe14 C160 68.42(13) . . ?
C167 Fe14 C160 153.27(14) . . ?
C168 Fe14 C160 164.77(13) . . ?
C166 Fe14 C160 119.20(15) . . ?
C165 Fe14 C160 108.07(15) . . ?
C164 Fe14 C160 127.24(14) . . ?
C159 Fe14 C160 40.80(11) . . ?
C161 Fe14 C160 40.97(12) . . ?
C177 Fe15 C178 40.3(2) . . ?
C177 Fe15 C179 66.7(2) . . ?
C178 Fe15 C179 38.5(2) . . ?
C177 Fe15 C180 67.83(15) . . ?
C178 Fe15 C180 66.2(2) . . ?
C179 Fe15 C180 39.42(19) . . ?
C177 Fe15 C176 41.68(16) . . ?
C178 Fe15 C176 68.81(17) . . ?
C179 Fe15 C176 68.21(18) . . ?
C180 Fe15 C176 41.12(17) . . ?
C177 Fe15 C172 107.09(15) . . ?
C178 Fe15 C172 125.2(2) . . ?
C179 Fe15 C172 160.80(19) . . ?
C180 Fe15 C172 157.30(17) . . ?
C176 Fe15 C172 120.16(15) . . ?
C177 Fe15 C174 153.73(17) . . ?
C178 Fe15 C174 119.69(17) . . ?
C179 Fe15 C174 108.62(17) . . ?
C180 Fe15 C174 126.12(15) . . ?
C176 Fe15 C174 163.23(16) . . ?
C172 Fe15 C174 68.43(12) . . ?
C177 Fe15 C175 163.40(19) . . ?
C178 Fe15 C175 155.3(2) . . ?
C179 Fe15 C175 122.92(18) . . ?
C180 Fe15 C175 109.99(14) . . ?
C176 Fe15 C175 125.67(14) . . ?
C172 Fe15 C175 68.18(12) . . ?
C174 Fe15 C175 41.07(12) . . ?
C177 Fe15 C171 125.44(18) . . ?
C178 Fe15 C171 162.4(2) . . ?
C179 Fe15 C171 157.7(2) . . ?
C180 Fe15 C171 122.89(15) . . ?
C176 Fe15 C171 107.26(13) . . ?
C172 Fe15 C171 40.72(11) . . ?
C174 Fe15 C171 69.05(12) . . ?
C175 Fe15 C171 40.73(11) . . ?
C177 Fe15 C173 119.03(14) . . ?
C178 Fe15 C173 106.84(17) . . ?
C179 Fe15 C173 124.53(18) . . ?
C180 Fe15 C173 161.32(17) . . ?
C176 Fe15 C173 154.98(16) . . ?
C172 Fe15 C173 40.93(12) . . ?
C174 Fe15 C173 40.53(12) . . ?
C175 Fe15 C173 68.58(12) . . ?
C171 Fe15 C173 69.04(12) . . ?
C189 Fe16 C190 40.77(16) . . ?
C189 Fe16 C188 40.10(15) . . ?
C190 Fe16 C188 67.74(15) . . ?
C189 Fe16 C187 151.77(15) . . ?
C190 Fe16 C187 166.41(16) . . ?
C188 Fe16 C187 119.13(15) . . ?
C189 Fe16 C186 165.51(17) . . ?
C190 Fe16 C186 128.09(16) . . ?
C188 Fe16 C186 153.48(17) . . ?
C187 Fe16 C186 40.87(14) . . ?
C189 Fe16 C184 106.80(16) . . ?
C190 Fe16 C184 117.93(16) . . ?
C188 Fe16 C184 126.93(14) . . ?
C187 Fe16 C184 68.59(15) . . ?
C186 Fe16 C184 68.54(15) . . ?
C189 Fe16 C183 117.19(14) . . ?
C190 Fe16 C183 151.31(16) . . ?
C188 Fe16 C183 107.68(13) . . ?
C187 Fe16 C183 41.03(12) . . ?
C186 Fe16 C183 68.86(13) . . ?
C184 Fe16 C183 40.64(13) . . ?
C189 Fe16 C185 127.01(17) . . ?
C190 Fe16 C185 107.75(16) . . ?
C188 Fe16 C185 164.62(16) . . ?
C187 Fe16 C185 68.70(15) . . ?
C186 Fe16 C185 40.69(16) . . ?
C184 Fe16 C185 40.84(13) . . ?
C183 Fe16 C185 68.77(13) . . ?
C189 Fe16 C191 68.36(16) . . ?
C190 Fe16 C191 40.66(17) . . ?
C188 Fe16 C191 67.69(14) . . ?
C187 Fe16 C191 128.56(16) . . ?
C186 Fe16 C191 109.05(14) . . ?
C184 Fe16 C191 152.58(15) . . ?
C183 Fe16 C191 166.13(15) . . ?
C185 Fe16 C191 119.22(15) . . ?
C189 Fe16 C192 67.70(16) . . ?
C190 Fe16 C192 67.82(17) . . ?
C188 Fe16 C192 40.02(14) . . ?
C187 Fe16 C192 109.14(16) . . ?
C186 Fe16 C192 120.23(16) . . ?
C184 Fe16 C192 164.90(14) . . ?
C183 Fe16 C192 127.95(14) . . ?
C185 Fe16 C192 153.60(15) . . ?
C191 Fe16 C192 40.27(15) . . ?
C196 Fe17 C200 124.55(13) . . ?
C196 Fe17 C201 160.68(13) . . ?
C200 Fe17 C201 40.51(13) . . ?
C196 Fe17 C197 40.76(11) . . ?
C200 Fe17 C197 160.16(13) . . ?
C201 Fe17 C197 157.26(13) . . ?
C196 Fe17 C198 68.81(12) . . ?
C200 Fe17 C198 158.38(13) . . ?
C201 Fe17 C198 121.60(13) . . ?
C197 Fe17 C198 40.80(11) . . ?
C196 Fe17 C204 108.20(12) . . ?
C200 Fe17 C204 40.50(13) . . ?
C201 Fe17 C204 68.27(13) . . ?
C197 Fe17 C204 123.19(13) . . ?
C198 Fe17 C204 158.66(12) . . ?
C196 Fe17 C203 122.27(12) . . ?
C200 Fe17 C203 68.20(12) . . ?
C201 Fe17 C203 68.30(12) . . ?
C197 Fe17 C203 106.57(12) . . ?
C198 Fe17 C203 121.74(12) . . ?
C204 Fe17 C203 40.67(12) . . ?
C196 Fe17 C202 157.47(12) . . ?
C200 Fe17 C202 68.13(13) . . ?
C201 Fe17 C202 40.65(12) . . ?
C197 Fe17 C202 121.16(12) . . ?
C198 Fe17 C202 106.03(12) . . ?
C204 Fe17 C202 68.20(12) . . ?
C203 Fe17 C202 40.46(12) . . ?
C196 Fe17 C199 68.39(11) . . ?
C200 Fe17 C199 123.58(12) . . ?
C201 Fe17 C199 107.88(12) . . ?
C197 Fe17 C199 68.31(11) . . ?
C198 Fe17 C199 40.78(11) . . ?
C204 Fe17 C199 159.53(12) . . ?
C203 Fe17 C199 158.48(12) . . ?
C202 Fe17 C199 122.87(12) . . ?
C196 Fe17 C195 41.04(10) . . ?
C200 Fe17 C195 109.07(12) . . ?
C201 Fe17 C195 123.92(11) . . ?
C197 Fe17 C195 68.64(11) . . ?
C198 Fe17 C195 68.66(11) . . ?
C204 Fe17 C195 123.86(12) . . ?
C203 Fe17 C195 159.27(11) . . ?
C202 Fe17 C195 159.41(11) . . ?
C199 Fe17 C195 40.34(11) . . ?
C207 Fe18 C208 40.74(11) . . ?
C207 Fe18 C213 120.97(13) . . ?
C208 Fe18 C213 104.39(14) . . ?
C207 Fe18 C212 104.83(13) . . ?
C208 Fe18 C212 118.25(14) . . ?
C213 Fe18 C212 40.71(15) . . ?
C207 Fe18 C214 158.53(12) . . ?
C208 Fe18 C214 123.22(13) . . ?
C213 Fe18 C214 40.56(13) . . ?
C212 Fe18 C214 68.05(14) . . ?
C207 Fe18 C211 40.89(11) . . ?
C208 Fe18 C211 68.37(12) . . ?
C213 Fe18 C211 159.04(13) . . ?
C212 Fe18 C211 123.91(14) . . ?
C214 Fe18 C211 159.61(12) . . ?
C207 Fe18 C216 120.52(13) . . ?
C208 Fe18 C216 154.75(14) . . ?
C213 Fe18 C216 68.80(16) . . ?
C212 Fe18 C216 40.90(16) . . ?
C214 Fe18 C216 68.20(14) . . ?
C211 Fe18 C216 108.89(14) . . ?
C207 Fe18 C215 157.42(13) . . ?
C208 Fe18 C215 161.67(13) . . ?
C213 Fe18 C215 68.59(14) . . ?
C212 Fe18 C215 68.18(14) . . ?
C214 Fe18 C215 40.70(13) . . ?
C211 Fe18 C215 124.02(12) . . ?
C216 Fe18 C215 40.29(14) . . ?
C207 Fe18 C210 68.94(12) . . ?
C208 Fe18 C210 68.47(12) . . ?
C213 Fe18 C210 156.68(14) . . ?
C212 Fe18 C210 162.37(15) . . ?
C214 Fe18 C210 123.61(13) . . ?
C211 Fe18 C210 40.85(11) . . ?
C216 Fe18 C210 126.94(14) . . ?
C215 Fe18 C210 110.93(13) . . ?
C207 Fe18 C209 69.02(12) . . ?
C208 Fe18 C209 41.00(12) . . ?
C213 Fe18 C209 119.69(14) . . ?
C212 Fe18 C209 154.34(15) . . ?
C214 Fe18 C209 108.14(13) . . ?
C211 Fe18 C209 68.55(12) . . ?
C216 Fe18 C209 163.44(14) . . ?
C215 Fe18 C209 126.54(13) . . ?
C210 Fe18 C209 40.53(11) . . ?
C220 Fe19 C224 123.04(13) . . ?
C220 Fe19 C225 105.26(12) . . ?
C224 Fe19 C225 40.71(13) . . ?
C220 Fe19 C221 40.87(12) . . ?
C224 Fe19 C221 159.82(13) . . ?
C225 Fe19 C221 122.93(13) . . ?
C220 Fe19 C226 119.44(12) . . ?
C224 Fe19 C226 68.25(12) . . ?
C225 Fe19 C226 40.56(12) . . ?
C221 Fe19 C226 106.83(13) . . ?
C220 Fe19 C223 68.38(12) . . ?
C224 Fe19 C223 122.17(13) . . ?
C225 Fe19 C223 156.14(12) . . ?
C221 Fe19 C223 68.17(13) . . ?
C226 Fe19 C223 162.72(12) . . ?
C220 Fe19 C219 40.87(11) . . ?
C224 Fe19 C219 106.70(12) . . ?
C225 Fe19 C219 119.30(12) . . ?
C221 Fe19 C219 68.85(12) . . ?
C226 Fe19 C219 154.53(12) . . ?
C223 Fe19 C219 40.92(11) . . ?
C220 Fe19 C228 161.02(13) . . ?
C224 Fe19 C228 40.71(13) . . ?
C225 Fe19 C228 68.43(13) . . ?
C221 Fe19 C228 157.53(13) . . ?
C226 Fe19 C228 68.17(12) . . ?
C223 Fe19 C228 109.73(12) . . ?
C219 Fe19 C228 125.25(12) . . ?
C220 Fe19 C222 68.19(12) . . ?
C224 Fe19 C222 158.32(13) . . ?
C225 Fe19 C222 160.34(13) . . ?
C221 Fe19 C222 40.19(12) . . ?
C226 Fe19 C222 125.11(12) . . ?
C223 Fe19 C222 40.60(12) . . ?
C219 Fe19 C222 68.69(12) . . ?
C228 Fe19 C222 123.54(13) . . ?
C220 Fe19 C227 155.42(12) . . ?
C224 Fe19 C227 68.36(12) . . ?
C225 Fe19 C227 68.21(12) . . ?
C221 Fe19 C227 121.41(12) . . ?
C226 Fe19 C227 40.32(12) . . ?
C223 Fe19 C227 126.94(12) . . ?
C219 Fe19 C227 163.15(12) . . ?
C228 Fe19 C227 40.67(12) . . ?
C222 Fe19 C227 109.58(12) . . ?
C233 Fe20 C232 40.97(11) . . ?
C233 Fe20 C234 40.55(13) . . ?
C232 Fe20 C234 68.76(12) . . ?
C233 Fe20 C238 121.37(12) . . ?
C232 Fe20 C238 107.28(12) . . ?
C234 Fe20 C238 156.58(13) . . ?
C233 Fe20 C240 161.83(13) . . ?
C232 Fe20 C240 155.83(12) . . ?
C234 Fe20 C240 124.95(13) . . ?
C238 Fe20 C240 68.17(12) . . ?
C233 Fe20 C235 68.29(12) . . ?
C232 Fe20 C235 68.46(12) . . ?
C234 Fe20 C235 40.82(12) . . ?
C238 Fe20 C235 161.13(12) . . ?
C240 Fe20 C235 107.74(12) . . ?
C233 Fe20 C239 156.25(13) . . ?
C232 Fe20 C239 120.45(12) . . ?
C234 Fe20 C239 161.61(12) . . ?
C238 Fe20 C239 40.52(11) . . ?
C240 Fe20 C239 40.63(12) . . ?
C235 Fe20 C239 124.47(12) . . ?
C233 Fe20 C237 108.03(12) . . ?
C232 Fe20 C237 124.94(12) . . ?
C234 Fe20 C237 121.26(13) . . ?
C238 Fe20 C237 40.83(12) . . ?
C240 Fe20 C237 68.12(12) . . ?
C235 Fe20 C237 156.55(13) . . ?
C239 Fe20 C237 68.41(12) . . ?
C233 Fe20 C236 125.16(12) . . ?
C232 Fe20 C236 161.99(12) . . ?
C234 Fe20 C236 107.92(13) . . ?
C238 Fe20 C236 68.31(12) . . ?
C240 Fe20 C236 40.50(12) . . ?
C235 Fe20 C236 121.39(12) . . ?
C239 Fe20 C236 68.35(12) . . ?
C237 Fe20 C236 40.45(12) . . ?
C233 Fe20 C231 69.02(11) . . ?
C232 Fe20 C231 41.07(11) . . ?
C234 Fe20 C231 69.06(12) . . ?
C238 Fe20 C231 124.05(12) . . ?
C240 Fe20 C231 120.37(12) . . ?
C235 Fe20 C231 40.75(11) . . ?
C239 Fe20 C231 106.58(11) . . ?
C237 Fe20 C231 161.64(12) . . ?
C236 Fe20 C231 155.92(12) . . ?
C243 Fe21 C248 104.93(12) . . ?
C243 Fe21 C246 68.91(12) . . ?
C248 Fe21 C246 164.06(16) . . ?
C243 Fe21 C247 40.64(12) . . ?
C248 Fe21 C247 124.87(14) . . ?
C246 Fe21 C247 41.13(14) . . ?
C243 Fe21 C244 41.04(12) . . ?
C248 Fe21 C244 117.34(14) . . ?
C246 Fe21 C244 68.30(14) . . ?
C247 Fe21 C244 68.42(14) . . ?
C243 Fe21 C249 117.51(12) . . ?
C248 Fe21 C249 40.93(13) . . ?
C246 Fe21 C249 127.65(15) . . ?
C247 Fe21 C249 107.29(14) . . ?
C244 Fe21 C249 152.05(13) . . ?
C243 Fe21 C252 124.05(13) . . ?
C248 Fe21 C252 40.54(14) . . ?
C246 Fe21 C252 155.00(16) . . ?
C247 Fe21 C252 161.71(14) . . ?
C244 Fe21 C252 106.34(15) . . ?
C249 Fe21 C252 68.65(14) . . ?
C243 Fe21 C251 162.57(14) . . ?
C248 Fe21 C251 68.00(13) . . ?
C246 Fe21 C251 122.01(14) . . ?
C247 Fe21 C251 156.34(14) . . ?
C244 Fe21 C251 126.60(15) . . ?
C249 Fe21 C251 68.33(14) . . ?
C252 Fe21 C251 40.43(14) . . ?
C243 Fe21 C245 68.96(13) . . ?
C248 Fe21 C245 152.65(15) . . ?
C246 Fe21 C245 40.50(16) . . ?
C247 Fe21 C245 68.66(15) . . ?
C244 Fe21 C245 40.65(13) . . ?
C249 Fe21 C245 165.74(14) . . ?
C252 Fe21 C245 119.56(16) . . ?
C251 Fe21 C245 109.55(15) . . ?
C243 Fe21 C250 153.20(14) . . ?
C248 Fe21 C250 68.25(13) . . ?
C246 Fe21 C250 110.24(14) . . ?
C247 Fe21 C250 120.75(14) . . ?
C244 Fe21 C250 165.41(13) . . ?
C249 Fe21 C250 40.39(13) . . ?
C252 Fe21 C250 68.49(15) . . ?
C251 Fe21 C250 40.83(15) . . ?
C245 Fe21 C250 128.89(14) . . ?
C262 Fe22 C258 118.70(15) . . ?
C262 Fe22 C257 106.33(15) . . ?
C258 Fe22 C257 40.80(14) . . ?
C262 Fe22 C263 40.47(14) . . ?
C258 Fe22 C263 152.85(14) . . ?
C257 Fe22 C263 118.33(15) . . ?
C262 Fe22 C256 125.13(14) . . ?
C258 Fe22 C256 68.82(15) . . ?
C257 Fe22 C256 40.93(13) . . ?
C263 Fe22 C256 106.90(15) . . ?
C262 Fe22 C259 154.03(14) . . ?
C258 Fe22 C259 40.76(12) . . ?
C257 Fe22 C259 68.53(13) . . ?
C263 Fe22 C259 164.70(13) . . ?
C256 Fe22 C259 68.60(13) . . ?
C262 Fe22 C261 40.56(14) . . ?
C258 Fe22 C261 107.20(15) . . ?
C257 Fe22 C261 125.10(15) . . ?
C263 Fe22 C261 68.42(15) . . ?
C256 Fe22 C261 162.50(13) . . ?
C259 Fe22 C261 120.27(13) . . ?
C262 Fe22 C255 163.20(13) . . ?
C258 Fe22 C255 68.90(13) . . ?
C257 Fe22 C255 68.88(13) . . ?
C263 Fe22 C255 126.38(13) . . ?
C256 Fe22 C255 40.92(12) . . ?
C259 Fe22 C255 40.82(12) . . ?
C261 Fe22 C255 155.20(13) . . ?
C262 Fe22 C264 68.02(14) . . ?
C258 Fe22 C264 164.58(14) . . ?
C257 Fe22 C264 153.94(15) . . ?
C263 Fe22 C264 40.78(14) . . ?
C256 Fe22 C264 120.11(14) . . ?
C259 Fe22 C264 127.69(13) . . ?
C261 Fe22 C264 68.12(14) . . ?
C255 Fe22 C264 108.78(13) . . ?
C262 Fe22 C260 67.83(14) . . ?
C258 Fe22 C260 126.97(14) . . ?
C257 Fe22 C260 163.38(14) . . ?
C263 Fe22 C260 68.08(14) . . ?
C256 Fe22 C260 155.12(13) . . ?
C259 Fe22 C260 109.47(13) . . ?
C261 Fe22 C260 40.49(13) . . ?
C255 Fe22 C260 121.16(12) . . ?
C264 Fe22 C260 40.14(14) . . ?
C270 Fe23 C275 122.66(15) . . ?
C270 Fe23 C272 156.75(15) . . ?
C275 Fe23 C272 68.41(16) . . ?
C270 Fe23 C276 160.11(15) . . ?
C275 Fe23 C276 40.59(15) . . ?
C272 Fe23 C276 40.57(16) . . ?
C270 Fe23 C271 40.79(13) . . ?
C275 Fe23 C271 106.41(14) . . ?
C272 Fe23 C271 161.81(15) . . ?
C276 Fe23 C271 124.35(15) . . ?
C270 Fe23 C274 105.90(15) . . ?
C275 Fe23 C274 40.85(14) . . ?
C272 Fe23 C274 68.10(15) . . ?
C276 Fe23 C274 68.21(15) . . ?
C271 Fe23 C274 120.18(14) . . ?
C270 Fe23 C273 120.60(15) . . ?
C275 Fe23 C273 68.38(15) . . ?
C272 Fe23 C273 40.39(15) . . ?
C276 Fe23 C273 68.05(16) . . ?
C271 Fe23 C273 155.71(15) . . ?
C274 Fe23 C273 40.41(14) . . ?
C270 Fe23 C268 68.39(13) . . ?
C275 Fe23 C268 157.63(13) . . ?
C272 Fe23 C268 109.51(14) . . ?
C276 Fe23 C268 123.24(14) . . ?
C271 Fe23 C268 68.24(12) . . ?
C274 Fe23 C268 160.85(13) . . ?
C273 Fe23 C268 125.46(13) . . ?
C270 Fe23 C269 40.68(12) . . ?
C275 Fe23 C269 159.62(14) . . ?
C272 Fe23 C269 122.49(14) . . ?
C276 Fe23 C269 158.36(15) . . ?
C271 Fe23 C269 68.41(13) . . ?
C274 Fe23 C269 123.31(14) . . ?
C273 Fe23 C269 107.76(14) . . ?
C268 Fe23 C269 40.63(12) . . ?
C270 Fe23 C267 69.04(13) . . ?
C275 Fe23 C267 120.91(13) . . ?
C272 Fe23 C267 125.55(14) . . ?
C276 Fe23 C267 108.20(14) . . ?
C271 Fe23 C267 40.88(12) . . ?
C274 Fe23 C267 156.09(13) . . ?
C273 Fe23 C267 162.23(14) . . ?
C268 Fe23 C267 40.85(11) . . ?
C269 Fe23 C267 68.93(12) . . ?
Cu3 Cl1 Cu1 81.34(3) . . ?
Cu3 Cl1 Cu2 84.72(4) . . ?
Cu1 Cl1 Cu2 81.35(4) . . ?
Cu1 Cl2 Cu2 85.14(4) . . ?
Cu1 Cl2 Cu4 88.02(4) . . ?
Cu2 Cl2 Cu4 86.29(3) . . ?
Cu3 Cl3 Cu4 85.63(5) . . ?
Cu3 Cl3 Cu1 78.02(3) . . ?
Cu4 Cl3 Cu1 84.10(4) . . ?
Cu2 Cl4 Cu4 88.13(3) . . ?
Cu2 Cl4 Cu3 84.43(4) . . ?
Cu4 Cl4 Cu3 82.83(4) . . ?
Cu6 Cl5 Cu5 86.24(5) . . ?
Cu6 Cl5 Cu7 82.87(3) . . ?
Cu5 Cl5 Cu7 83.21(3) . . ?
Cu6 Cl6 Cu8 86.04(3) . . ?
Cu6 Cl6 Cu5 85.47(5) . . ?
Cu8 Cl6 Cu5 83.60(3) . . ?
Cu5 Cl7 Cu7 87.89(3) . . ?
Cu5 Cl7 Cu8 80.90(3) . . ?
Cu7 Cl7 Cu8 81.39(4) . . ?
Cu8 Cl8 Cu7 87.28(5) . . ?
Cu8 Cl8 Cu6 84.56(3) . . ?
Cu7 Cl8 Cu6 80.49(3) . . ?
C13 P1 C1 103.1(2) . . ?
C25A P1 C1 113.5(3) . . ?
C13 P1 C25 105.6(3) . . ?
C1 P1 C25 93.59(19) . . ?
C25A P1 C13A 97.9(4) . . ?
C1 P1 C13A 102.0(3) . . ?
C13 P1 Cu1 123.3(2) . . ?
C25A P1 Cu1 118.4(2) . . ?
C1 P1 Cu1 111.97(11) . . ?
C25 P1 Cu1 114.69(17) . . ?
C13A P1 Cu1 110.8(3) . . ?
C61 P2 C49 101.45(14) . . ?
C61 P2 C37 101.14(13) . . ?
C49 P2 C37 104.64(14) . . ?
C61 P2 Cu2 117.41(10) . . ?
C49 P2 Cu2 112.82(10) . . ?
C37 P2 Cu2 117.31(10) . . ?
C85 P3 C97 105.38(14) . . ?
C85 P3 C73 103.46(13) . . ?
C97 P3 C73 99.14(14) . . ?
C85 P3 Cu3 114.33(10) . . ?
C97 P3 Cu3 114.70(9) . . ?
C73 P3 Cu3 117.91(12) . . ?
C133 P4 C109 100.59(13) . . ?
C133 P4 C121 104.84(13) . . ?
C109 P4 C121 100.66(12) . . ?
C133 P4 Cu4 114.69(9) . . ?
C109 P4 Cu4 116.54(9) . . ?
C121 P4 Cu4 117.20(10) . . ?
C157 P5 C169 102.13(14) . . ?
C157 P5 C145 100.08(13) . . ?
C169 P5 C145 102.19(13) . . ?
C157 P5 Cu5 118.81(10) . . ?
C169 P5 Cu5 114.10(9) . . ?
C145 P5 Cu5 116.97(10) . . ?
C181 P6 C193 104.46(13) . . ?
C181 P6 C205 101.66(14) . . ?
C193 P6 C205 101.63(13) . . ?
C181 P6 Cu6 116.16(9) . . ?
C193 P6 Cu6 116.88(9) . . ?
C205 P6 Cu6 113.96(10) . . ?
C229 P7 C217 101.93(13) . . ?
C229 P7 C241 101.14(13) . . ?
C217 P7 C241 103.71(14) . . ?
C229 P7 Cu7 113.72(10) . . ?
C217 P7 Cu7 117.85(10) . . ?
C241 P7 Cu7 116.21(10) . . ?
C265 P8 C277 102.12(14) . . ?
C265 P8 C253 103.49(14) . . ?
C277 P8 C253 103.19(13) . . ?
C265 P8 Cu8 120.40(10) . . ?
C277 P8 Cu8 114.75(11) . . ?
C253 P8 Cu8 110.96(10) . . ?
C2 C1 P1 112.2(2) . . ?
C2 C1 H1A 109.2 . . ?
P1 C1 H1A 109.2 . . ?
C2 C1 H1B 109.2 . . ?
P1 C1 H1B 109.2 . . ?
H1A C1 H1B 107.9 . . ?
C3 C2 C1 114.5(2) . . ?
C3 C2 H2A 108.6 . . ?
C1 C2 H2A 108.6 . . ?
C3 C2 H2B 108.6 . . ?
C1 C2 H2B 108.6 . . ?
H2A C2 H2B 107.6 . . ?
C7 C3 C4 106.5(3) . . ?
C7 C3 C2 127.0(3) . . ?
C4 C3 C2 126.4(3) . . ?
C7 C3 Fe1 69.43(17) . . ?
C4 C3 Fe1 68.34(18) . . ?
C2 C3 Fe1 129.8(2) . . ?
C3 C4 C5 108.5(3) . . ?
C3 C4 Fe1 70.80(18) . . ?
C5 C4 Fe1 70.0(2) . . ?
C3 C4 H4 125.7 . . ?
C5 C4 H4 125.7 . . ?
Fe1 C4 H4 125.1 . . ?
C6 C5 C4 107.9(3) . . ?
C6 C5 Fe1 70.2(2) . . ?
C4 C5 Fe1 68.9(2) . . ?
C6 C5 H5 126.1 . . ?
C4 C5 H5 126.1 . . ?
Fe1 C5 H5 126.4 . . ?
C5 C6 C7 108.0(3) . . ?
C5 C6 Fe1 69.6(2) . . ?
C7 C6 Fe1 69.82(19) . . ?
C5 C6 H6 126.0 . . ?
C7 C6 H6 126.0 . . ?
Fe1 C6 H6 126.2 . . ?
C6 C7 C3 109.1(3) . . ?
C6 C7 Fe1 69.66(18) . . ?
C3 C7 Fe1 70.08(18) . . ?
C6 C7 H7 125.5 . . ?
C3 C7 H7 125.5 . . ?
Fe1 C7 H7 126.4 . . ?
C9 C8 C12 106.7(4) . . ?
C9 C8 Fe1 69.1(3) . . ?
C12 C8 Fe1 69.4(3) . . ?
C9 C8 H8 126.7 . . ?
C12 C8 H8 126.7 . . ?
Fe1 C8 H8 126.4 . . ?
C10 C9 C8 109.7(5) . . ?
C10 C9 Fe1 70.5(3) . . ?
C8 C9 Fe1 70.6(3) . . ?
C10 C9 H9 125.2 . . ?
C8 C9 H9 125.2 . . ?
Fe1 C9 H9 125.3 . . ?
C9 C10 C11 109.7(5) . . ?
C9 C10 Fe1 70.5(2) . . ?
C11 C10 Fe1 70.9(2) . . ?
C9 C10 H10 125.2 . . ?
C11 C10 H10 125.2 . . ?
Fe1 C10 H10 125.0 . . ?
C10 C11 C12 109.5(4) . . ?
C10 C11 Fe1 69.9(2) . . ?
C12 C11 Fe1 70.1(2) . . ?
C10 C11 H11 125.2 . . ?
C12 C11 H11 125.2 . . ?
Fe1 C11 H11 126.4 . . ?
C11 C12 C8 104.4(4) . . ?
C11 C12 Fe1 69.0(2) . . ?
C8 C12 Fe1 68.8(2) . . ?
C11 C12 H12 127.8 . . ?
C8 C12 H12 127.8 . . ?
Fe1 C12 H12 126.0 . . ?
C16 C15 C19 107.4(3) . . ?
C16 C15 C14 125.5(3) . . ?
C19 C15 C14 127.0(3) . . ?
C16 C15 Fe2 69.3(2) . . ?
C19 C15 Fe2 68.9(2) . . ?
C14 C15 Fe2 130.5(2) . . ?
C15 C16 C17 108.8(3) . . ?
C15 C16 Fe2 70.6(2) . . ?
C17 C16 Fe2 69.2(2) . . ?
C15 C16 H16 125.6 . . ?
C17 C16 H16 125.6 . . ?
Fe2 C16 H16 126.2 . . ?
C18 C17 C16 107.4(3) . . ?
C18 C17 Fe2 70.0(2) . . ?
C16 C17 Fe2 70.0(2) . . ?
C18 C17 H17 126.3 . . ?
C16 C17 H17 126.3 . . ?
Fe2 C17 H17 125.3 . . ?
C19 C18 C17 107.7(3) . . ?
C19 C18 Fe2 69.5(2) . . ?
C17 C18 Fe2 69.2(2) . . ?
C19 C18 H18 126.2 . . ?
C17 C18 H18 126.2 . . ?
Fe2 C18 H18 126.7 . . ?
C18 C19 C15 108.7(3) . . ?
C18 C19 Fe2 69.9(2) . . ?
C15 C19 Fe2 70.7(2) . . ?
C18 C19 H19 125.7 . . ?
C15 C19 H19 125.7 . . ?
Fe2 C19 H19 125.3 . . ?
C21 C20 C24 108.0(4) . . ?
C21 C20 Fe2 70.0(3) . . ?
C24 C20 Fe2 69.7(2) . . ?
C21 C20 H20 126.0 . . ?
C24 C20 H20 126.0 . . ?
Fe2 C20 H20 125.8 . . ?
C20 C21 C22 108.7(4) . . ?
C20 C21 Fe2 70.2(3) . . ?
C22 C21 Fe2 69.9(3) . . ?
C20 C21 H21 125.6 . . ?
C22 C21 H21 125.6 . . ?
Fe2 C21 H21 125.8 . . ?
C23 C22 C21 107.4(4) . . ?
C23 C22 Fe2 70.0(3) . . ?
C21 C22 Fe2 69.8(2) . . ?
C23 C22 H22 126.3 . . ?
C21 C22 H22 126.3 . . ?
Fe2 C22 H22 125.5 . . ?
C22 C23 C24 109.0(4) . . ?
C22 C23 Fe2 70.2(2) . . ?
C24 C23 Fe2 69.9(2) . . ?
C22 C23 H23 125.5 . . ?
C24 C23 H23 125.5 . . ?
Fe2 C23 H23 126.0 . . ?
C23 C24 C20 107.0(4) . . ?
C23 C24 Fe2 69.8(2) . . ?
C20 C24 Fe2 69.8(2) . . ?
C23 C24 H24 126.5 . . ?
C20 C24 H24 126.5 . . ?
Fe2 C24 H24 125.5 . . ?
C38 C37 P2 113.6(2) . . ?
C38 C37 H37A 108.9 . . ?
P2 C37 H37A 108.9 . . ?
C38 C37 H37B 108.9 . . ?
P2 C37 H37B 108.9 . . ?
H37A C37 H37B 107.7 . . ?
C39 C38 C37 114.8(2) . . ?
C39 C38 H38A 108.6 . . ?
C37 C38 H38A 108.6 . . ?
C39 C38 H38B 108.6 . . ?
C37 C38 H38B 108.6 . . ?
H38A C38 H38B 107.5 . . ?
C40 C39 C43 107.2(3) . . ?
C40 C39 C38 124.3(3) . . ?
C43 C39 C38 128.5(3) . . ?
C40 C39 Fe4 68.98(16) . . ?
C43 C39 Fe4 69.19(16) . . ?
C38 C39 Fe4 129.2(2) . . ?
C41 C40 C39 108.7(3) . . ?
C41 C40 Fe4 69.72(18) . . ?
C39 C40 Fe4 70.28(16) . . ?
C41 C40 H40 125.6 . . ?
C39 C40 H40 125.6 . . ?
Fe4 C40 H40 125.9 . . ?
C42 C41 C40 107.6(3) . . ?
C42 C41 Fe4 69.64(19) . . ?
C40 C41 Fe4 69.55(18) . . ?
C42 C41 H41 126.2 . . ?
C40 C41 H41 126.2 . . ?
Fe4 C41 H41 126.2 . . ?
C41 C42 C43 108.7(3) . . ?
C41 C42 Fe4 69.89(19) . . ?
C43 C42 Fe4 69.88(17) . . ?
C41 C42 H42 125.6 . . ?
C43 C42 H42 125.6 . . ?
Fe4 C42 H42 126.2 . . ?
C42 C43 C39 107.8(3) . . ?
C42 C43 Fe4 69.34(18) . . ?
C39 C43 Fe4 70.03(16) . . ?
C42 C43 H43 126.1 . . ?
C39 C43 H43 126.1 . . ?
Fe4 C43 H43 126.1 . . ?
C48 C44 C45 108.0(3) . . ?
C48 C44 Fe4 70.14(19) . . ?
C45 C44 Fe4 69.96(19) . . ?
C48 C44 H44 126.0 . . ?
C45 C44 H44 126.0 . . ?
Fe4 C44 H44 125.5 . . ?
C46 C45 C44 108.1(3) . . ?
C46 C45 Fe4 69.97(19) . . ?
C44 C45 Fe4 69.36(18) . . ?
C46 C45 H45 126.0 . . ?
C44 C45 H45 126.0 . . ?
Fe4 C45 H45 126.3 . . ?
C45 C46 C47 108.3(3) . . ?
C45 C46 Fe4 69.69(18) . . ?
C47 C46 Fe4 69.82(18) . . ?
C45 C46 H46 125.8 . . ?
C47 C46 H46 125.8 . . ?
Fe4 C46 H46 126.2 . . ?
C46 C47 C48 107.6(3) . . ?
C46 C47 Fe4 69.8(2) . . ?
C48 C47 Fe4 69.49(19) . . ?
C46 C47 H47 126.2 . . ?
C48 C47 H47 126.2 . . ?
Fe4 C47 H47 126.1 . . ?
C44 C48 C47 108.0(3) . . ?
C44 C48 Fe4 69.4(2) . . ?
C47 C48 Fe4 69.7(2) . . ?
C44 C48 H48 126.0 . . ?
C47 C48 H48 126.0 . . ?
Fe4 C48 H48 126.4 . . ?
C50 C49 P2 112.7(2) . . ?
C50 C49 H49A 109.0 . . ?
P2 C49 H49A 109.0 . . ?
C50 C49 H49B 109.0 . . ?
P2 C49 H49B 109.0 . . ?
H49A C49 H49B 107.8 . . ?
C51 C50 C49 114.8(2) . . ?
C51 C50 H50A 108.6 . . ?
C49 C50 H50A 108.6 . . ?
C51 C50 H50B 108.6 . . ?
C49 C50 H50B 108.6 . . ?
H50A C50 H50B 107.5 . . ?
C52 C51 C55 107.1(3) . . ?
C52 C51 C50 128.8(3) . . ?
C55 C51 C50 124.0(3) . . ?
C52 C51 Fe5 69.29(17) . . ?
C55 C51 Fe5 68.92(17) . . ?
C50 C51 Fe5 130.4(2) . . ?
C51 C52 C53 108.4(3) . . ?
C51 C52 Fe5 70.12(17) . . ?
C53 C52 Fe5 68.60(17) . . ?
C51 C52 H52 125.8 . . ?
C53 C52 H52 125.8 . . ?
Fe5 C52 H52 127.0 . . ?
C54 C53 C52 107.8(3) . . ?
C54 C53 Fe5 69.44(18) . . ?
C52 C53 Fe5 70.43(16) . . ?
C54 C53 H53 126.1 . . ?
C52 C53 H53 126.1 . . ?
Fe5 C53 H53 125.6 . . ?
C53 C54 C55 108.6(3) . . ?
C53 C54 Fe5 69.71(18) . . ?
C55 C54 Fe5 70.43(18) . . ?
C53 C54 H54 125.7 . . ?
C55 C54 H54 125.7 . . ?
Fe5 C54 H54 125.7 . . ?
C54 C55 C51 108.1(3) . . ?
C54 C55 Fe5 68.78(18) . . ?
C51 C55 Fe5 70.21(17) . . ?
C54 C55 H55 126.0 . . ?
C51 C55 H55 126.0 . . ?
Fe5 C55 H55 126.6 . . ?
C60 C56 C57 108.3(3) . . ?
C60 C56 Fe5 70.27(18) . . ?
C57 C56 Fe5 69.58(17) . . ?
C60 C56 H56 125.8 . . ?
C57 C56 H56 125.8 . . ?
Fe5 C56 H56 125.9 . . ?
C56 C57 C58 107.6(3) . . ?
C56 C57 Fe5 69.65(17) . . ?
C58 C57 Fe5 69.67(17) . . ?
C56 C57 H57 126.2 . . ?
C58 C57 H57 126.2 . . ?
Fe5 C57 H57 126.0 . . ?
C59 C58 C57 107.9(3) . . ?
C59 C58 Fe5 69.97(18) . . ?
C57 C58 Fe5 69.55(17) . . ?
C59 C58 H58 126.1 . . ?
C57 C58 H58 126.1 . . ?
Fe5 C58 H58 126.0 . . ?
C58 C59 C60 108.3(3) . . ?
C58 C59 Fe5 69.68(17) . . ?
C60 C59 Fe5 69.94(18) . . ?
C58 C59 H59 125.8 . . ?
C60 C59 H59 125.8 . . ?
Fe5 C59 H59 126.1 . . ?
C56 C60 C59 107.9(3) . . ?
C56 C60 Fe5 69.53(17) . . ?
C59 C60 Fe5 69.55(18) . . ?
C56 C60 H60 126.0 . . ?
C59 C60 H60 126.0 . . ?
Fe5 C60 H60 126.4 . . ?
C62 C61 P2 114.5(2) . . ?
C62 C61 H61A 108.6 . . ?
P2 C61 H61A 108.6 . . ?
C62 C61 H61B 108.6 . . ?
P2 C61 H61B 108.6 . . ?
H61A C61 H61B 107.6 . . ?
C63 C62 C61 109.5(2) . . ?
C63 C62 H62A 109.8 . . ?
C61 C62 H62A 109.8 . . ?
C63 C62 H62B 109.8 . . ?
C61 C62 H62B 109.8 . . ?
H62A C62 H62B 108.2 . . ?
C67 C63 C64 106.7(3) . . ?
C67 C63 C62 126.4(3) . . ?
C64 C63 C62 126.5(3) . . ?
C67 C63 Fe6 69.78(18) . . ?
C64 C63 Fe6 69.16(16) . . ?
C62 C63 Fe6 132.0(2) . . ?
C65 C64 C63 108.3(3) . . ?
C65 C64 Fe6 69.67(18) . . ?
C63 C64 Fe6 69.68(16) . . ?
C65 C64 H64 125.9 . . ?
C63 C64 H64 125.9 . . ?
Fe6 C64 H64 126.4 . . ?
C64 C65 C66 108.5(3) . . ?
C64 C65 Fe6 69.68(17) . . ?
C66 C65 Fe6 69.88(19) . . ?
C64 C65 H65 125.8 . . ?
C66 C65 H65 125.8 . . ?
Fe6 C65 H65 126.3 . . ?
C65 C66 C67 107.3(3) . . ?
C65 C66 Fe6 69.43(18) . . ?
C67 C66 Fe6 69.83(18) . . ?
C65 C66 H66 126.3 . . ?
C67 C66 H66 126.3 . . ?
Fe6 C66 H66 126.0 . . ?
C66 C67 C63 109.2(3) . . ?
C66 C67 Fe6 69.54(18) . . ?
C63 C67 Fe6 69.58(17) . . ?
C66 C67 H67 125.4 . . ?
C63 C67 H67 125.4 . . ?
Fe6 C67 H67 127.1 . . ?
C69 C68 C72 108.0(4) . . ?
C69 C68 Fe6 69.8(2) . . ?
C72 C68 Fe6 69.9(2) . . ?
C69 C68 H68 126.0 . . ?
C72 C68 H68 126.0 . . ?
Fe6 C68 H68 125.9 . . ?
C68 C69 C70 108.6(3) . . ?
C68 C69 Fe6 69.6(2) . . ?
C70 C69 Fe6 69.6(2) . . ?
C68 C69 H69 125.7 . . ?
C70 C69 H69 125.7 . . ?
Fe6 C69 H69 126.6 . . ?
C69 C70 C71 107.7(3) . . ?
C69 C70 Fe6 69.6(2) . . ?
C71 C70 Fe6 69.8(2) . . ?
C69 C70 H70 126.2 . . ?
C71 C70 H70 126.2 . . ?
Fe6 C70 H70 126.0 . . ?
C72 C71 C70 107.4(4) . . ?
C72 C71 Fe6 69.4(2) . . ?
C70 C71 Fe6 69.1(2) . . ?
C72 C71 H71 126.3 . . ?
C70 C71 H71 126.3 . . ?
Fe6 C71 H71 126.7 . . ?
C68 C72 C71 108.4(3) . . ?
C68 C72 Fe6 69.4(2) . . ?
C71 C72 Fe6 69.7(2) . . ?
C68 C72 H72 125.8 . . ?
C71 C72 H72 125.8 . . ?
Fe6 C72 H72 126.7 . . ?
C74 C73 P3 112.8(2) . . ?
C74 C73 H73A 109.0 . . ?
P3 C73 H73A 109.0 . . ?
C74 C73 H73B 109.0 . . ?
P3 C73 H73B 109.0 . . ?
H73A C73 H73B 107.8 . . ?
C73 C74 C75 113.4(3) . . ?
C73 C74 H74A 108.9 . . ?
C75 C74 H74A 108.9 . . ?
C73 C74 H74B 108.9 . . ?
C75 C74 H74B 108.9 . . ?
H74A C74 H74B 107.7 . . ?
C76 C75 C79 107.4(3) . . ?
C76 C75 C74 124.5(3) . . ?
C79 C75 C74 128.0(3) . . ?
C76 C75 Fe7 69.34(17) . . ?
C79 C75 Fe7 69.07(17) . . ?
C74 C75 Fe7 130.4(2) . . ?
C75 C76 C77 108.5(3) . . ?
C75 C76 Fe7 70.82(19) . . ?
C77 C76 Fe7 69.35(18) . . ?
C75 C76 H76 125.8 . . ?
C77 C76 H76 125.8 . . ?
Fe7 C76 H76 125.6 . . ?
C76 C77 C78 109.3(3) . . ?
C76 C77 Fe7 70.36(18) . . ?
C78 C77 Fe7 69.57(19) . . ?
C76 C77 H77 125.4 . . ?
C78 C77 H77 125.4 . . ?
Fe7 C77 H77 126.3 . . ?
C77 C78 C79 106.6(3) . . ?
C77 C78 Fe7 69.87(17) . . ?
C79 C78 Fe7 70.25(17) . . ?
C77 C78 H78 126.7 . . ?
C79 C78 H78 126.7 . . ?
Fe7 C78 H78 124.8 . . ?
C78 C79 C75 108.3(3) . . ?
C78 C79 Fe7 68.78(17) . . ?
C75 C79 Fe7 70.33(17) . . ?
C78 C79 H79 125.9 . . ?
C75 C79 H79 125.9 . . ?
Fe7 C79 H79 126.6 . . ?
C84 C80 C81 108.3(3) . . ?
C84 C80 Fe7 69.22(18) . . ?
C81 C80 Fe7 69.68(17) . . ?
C84 C80 H80 125.8 . . ?
C81 C80 H80 125.8 . . ?
Fe7 C80 H80 126.8 . . ?
C82 C81 C80 107.9(3) . . ?
C82 C81 Fe7 69.48(18) . . ?
C80 C81 Fe7 69.52(17) . . ?
C82 C81 H81 126.0 . . ?
C80 C81 H81 126.0 . . ?
Fe7 C81 H81 126.5 . . ?
C83 C82 C81 107.7(3) . . ?
C83 C82 Fe7 69.40(19) . . ?
C81 C82 Fe7 69.77(17) . . ?
C83 C82 H82 126.1 . . ?
C81 C82 H82 126.1 . . ?
Fe7 C82 H82 126.3 . . ?
C82 C83 C84 108.3(3) . . ?
C82 C83 Fe7 69.92(18) . . ?
C84 C83 Fe7 69.25(19) . . ?
C82 C83 H83 125.8 . . ?
C84 C83 H83 125.8 . . ?
Fe7 C83 H83 126.6 . . ?
C80 C84 C83 107.7(3) . . ?
C80 C84 Fe7 70.22(19) . . ?
C83 C84 Fe7 69.59(19) . . ?
C80 C84 H84 126.2 . . ?
C83 C84 H84 126.2 . . ?
Fe7 C84 H84 125.6 . . ?
C86 C85 P3 111.01(18) . . ?
C86 C85 H85A 109.4 . . ?
P3 C85 H85A 109.4 . . ?
C86 C85 H85B 109.4 . . ?
P3 C85 H85B 109.4 . . ?
H85A C85 H85B 108.0 . . ?
C87 C86 C85 111.9(2) . . ?
C87 C86 H86A 109.2 . . ?
C85 C86 H86A 109.2 . . ?
C87 C86 H86B 109.2 . . ?
C85 C86 H86B 109.2 . . ?
H86A C86 H86B 107.9 . . ?
C88 C87 C91 107.6(3) . . ?
C88 C87 C86 125.5(3) . . ?
C91 C87 C86 126.9(3) . . ?
C88 C87 Fe8 69.49(16) . . ?
C91 C87 Fe8 69.43(16) . . ?
C86 C87 Fe8 128.10(19) . . ?
C89 C88 C87 108.6(3) . . ?
C89 C88 Fe8 69.54(17) . . ?
C87 C88 Fe8 70.11(16) . . ?
C89 C88 H88 125.7 . . ?
C87 C88 H88 125.7 . . ?
Fe8 C88 H88 126.2 . . ?
C88 C89 C90 107.7(3) . . ?
C88 C89 Fe8 70.03(17) . . ?
C90 C89 Fe8 69.33(18) . . ?
C88 C89 H89 126.2 . . ?
C90 C89 H89 126.2 . . ?
Fe8 C89 H89 126.0 . . ?
C91 C90 C89 108.3(3) . . ?
C91 C90 Fe8 70.27(17) . . ?
C89 C90 Fe8 69.96(17) . . ?
C91 C90 H90 125.8 . . ?
C89 C90 H90 125.8 . . ?
Fe8 C90 H90 125.5 . . ?
C90 C91 C87 107.9(3) . . ?
C90 C91 Fe8 69.12(16) . . ?
C87 C91 Fe8 70.03(16) . . ?
C90 C91 H91 126.1 . . ?
C87 C91 H91 126.1 . . ?
Fe8 C91 H91 126.4 . . ?
C93 C92 C96 107.5(3) . . ?
C93 C92 Fe8 69.75(17) . . ?
C96 C92 Fe8 69.34(18) . . ?
C93 C92 H92 126.3 . . ?
C96 C92 H92 126.3 . . ?
Fe8 C92 H92 126.2 . . ?
C94 C93 C92 108.2(3) . . ?
C94 C93 Fe8 70.02(18) . . ?
C92 C93 Fe8 69.94(17) . . ?
C94 C93 H93 125.9 . . ?
C92 C93 H93 125.9 . . ?
Fe8 C93 H93 125.7 . . ?
C95 C94 C93 108.7(3) . . ?
C95 C94 Fe8 70.2(2) . . ?
C93 C94 Fe8 69.88(17) . . ?
C95 C94 H94 125.7 . . ?
C93 C94 H94 125.7 . . ?
Fe8 C94 H94 125.9 . . ?
C94 C95 C96 107.8(3) . . ?
C94 C95 Fe8 70.00(19) . . ?
C96 C95 Fe8 69.3(2) . . ?
C94 C95 H95 126.1 . . ?
C96 C95 H95 126.1 . . ?
Fe8 C95 H95 126.2 . . ?
C92 C96 C95 107.8(3) . . ?
C92 C96 Fe8 70.10(19) . . ?
C95 C96 Fe8 70.1(2) . . ?
C92 C96 H96 126.1 . . ?
C95 C96 H96 126.1 . . ?
Fe8 C96 H96 125.3 . . ?
C98 C97 P3 110.2(2) . . ?
C98 C97 H97A 109.6 . . ?
P3 C97 H97A 109.6 . . ?
C98 C97 H97B 109.6 . . ?
P3 C97 H97B 109.6 . . ?
H97A C97 H97B 108.1 . . ?
C99 C98 C97 113.8(2) . . ?
C99 C98 H98A 108.8 . . ?
C97 C98 H98A 108.8 . . ?
C99 C98 H98B 108.8 . . ?
C97 C98 H98B 108.8 . . ?
H98A C98 H98B 107.7 . . ?
C103 C99 C100 107.4(2) . . ?
C103 C99 C98 125.3(3) . . ?
C100 C99 C98 127.2(2) . . ?
C103 C99 Fe9 69.64(15) . . ?
C100 C99 Fe9 69.41(15) . . ?
C98 C99 Fe9 128.73(19) . . ?
C101 C100 C99 108.1(2) . . ?
C101 C100 Fe9 69.46(16) . . ?
C99 C100 Fe9 69.78(15) . . ?
C101 C100 H100 125.9 . . ?
C99 C100 H100 125.9 . . ?
Fe9 C100 H100 126.4 . . ?
C100 C101 C102 108.1(3) . . ?
C100 C101 Fe9 69.79(16) . . ?
C102 C101 Fe9 69.60(16) . . ?
C100 C101 H101 125.9 . . ?
C102 C101 H101 125.9 . . ?
Fe9 C101 H101 126.2 . . ?
C103 C102 C101 107.7(2) . . ?
C103 C102 Fe9 70.02(15) . . ?
C101 C102 Fe9 69.54(16) . . ?
C103 C102 H102 126.1 . . ?
C101 C102 H102 126.1 . . ?
Fe9 C102 H102 125.9 . . ?
C102 C103 C99 108.6(3) . . ?
C102 C103 Fe9 69.41(15) . . ?
C99 C103 Fe9 69.66(15) . . ?
C102 C103 H103 125.7 . . ?
C99 C103 H103 125.7 . . ?
Fe9 C103 H103 126.8 . . ?
C105 C104 C108 107.8(3) . . ?
C105 C104 Fe9 69.99(17) . . ?
C108 C104 Fe9 69.29(17) . . ?
C105 C104 H104 126.1 . . ?
C108 C104 H104 126.1 . . ?
Fe9 C104 H104 126.2 . . ?
C104 C105 C106 108.5(3) . . ?
C104 C105 Fe9 69.49(16) . . ?
C106 C105 Fe9 69.72(16) . . ?
C104 C105 H105 125.8 . . ?
C106 C105 H105 125.8 . . ?
Fe9 C105 H105 126.6 . . ?
C107 C106 C105 107.7(3) . . ?
C107 C106 Fe9 69.45(16) . . ?
C105 C106 Fe9 69.57(16) . . ?
C107 C106 H106 126.2 . . ?
C105 C106 H106 126.2 . . ?
Fe9 C106 H106 126.4 . . ?
C106 C107 C108 108.0(3) . . ?
C106 C107 Fe9 69.84(17) . . ?
C108 C107 Fe9 69.20(16) . . ?
C106 C107 H107 126.0 . . ?
C108 C107 H107 126.0 . . ?
Fe9 C107 H107 126.5 . . ?
C107 C108 C104 108.1(3) . . ?
C107 C108 Fe9 69.94(17) . . ?
C104 C108 Fe9 69.77(17) . . ?
C107 C108 H108 126.0 . . ?
C104 C108 H108 126.0 . . ?
Fe9 C108 H108 125.9 . . ?
C110 C109 P4 114.43(18) . . ?
C110 C109 H10A 108.7 . . ?
P4 C109 H10A 108.7 . . ?
C110 C109 H10B 108.7 . . ?
P4 C109 H10B 108.7 . . ?
H10A C109 H10B 107.6 . . ?
C111 C110 C109 111.2(2) . . ?
C111 C110 H11A 109.4 . . ?
C109 C110 H11A 109.4 . . ?
C111 C110 H11B 109.4 . . ?
C109 C110 H11B 109.4 . . ?
H11A C110 H11B 108.0 . . ?
C112 C111 C115 107.1(3) . . ?
C112 C111 C110 128.6(3) . . ?
C115 C111 C110 124.3(3) . . ?
C112 C111 Fe10 69.57(17) . . ?
C115 C111 Fe10 69.24(17) . . ?
C110 C111 Fe10 127.35(19) . . ?
C111 C112 C113 107.6(4) . . ?
C111 C112 Fe10 69.91(18) . . ?
C113 C112 Fe10 69.0(2) . . ?
C111 C112 H112 126.2 . . ?
C113 C112 H112 126.2 . . ?
Fe10 C112 H112 126.5 . . ?
C114 C113 C112 109.1(3) . . ?
C114 C113 Fe10 69.8(2) . . ?
C112 C113 Fe10 70.21(19) . . ?
C114 C113 H113 125.4 . . ?
C112 C113 H113 125.4 . . ?
Fe10 C113 H113 126.1 . . ?
C115 C114 C113 107.2(3) . . ?
C115 C114 Fe10 70.20(18) . . ?
C113 C114 Fe10 69.51(19) . . ?
C115 C114 H114 126.4 . . ?
C113 C114 H114 126.4 . . ?
Fe10 C114 H114 125.5 . . ?
C114 C115 C111 109.0(4) . . ?
C114 C115 Fe10 69.43(19) . . ?
C111 C115 Fe10 69.77(17) . . ?
C114 C115 H115 125.5 . . ?
C111 C115 H115 125.5 . . ?
Fe10 C115 H115 126.9 . . ?
C117 C116 C120 107.9(3) . . ?
C117 C116 Fe10 69.77(18) . . ?
C120 C116 Fe10 70.10(18) . . ?
C117 C116 H116 126.1 . . ?
C120 C116 H116 126.1 . . ?
Fe10 C116 H116 125.7 . . ?
C116 C117 C118 107.9(3) . . ?
C116 C117 Fe10 69.44(18) . . ?
C118 C117 Fe10 69.74(18) . . ?
C116 C117 H117 126.0 . . ?
C118 C117 H117 126.0 . . ?
Fe10 C117 H117 126.3 . . ?
C119 C118 C117 107.8(3) . . ?
C119 C118 Fe10 70.01(17) . . ?
C117 C118 Fe10 69.17(18) . . ?
C119 C118 H118 126.1 . . ?
C117 C118 H118 126.1 . . ?
Fe10 C118 H118 126.3 . . ?
C118 C119 C120 108.4(3) . . ?
C118 C119 Fe10 69.76(18) . . ?
C120 C119 Fe10 69.56(17) . . ?
C118 C119 H119 125.8 . . ?
C120 C119 H119 125.8 . . ?
Fe10 C119 H119 126.4 . . ?
C116 C120 C119 108.0(3) . . ?
C116 C120 Fe10 69.16(17) . . ?
C119 C120 Fe10 69.77(17) . . ?
C116 C120 H120 126.0 . . ?
C119 C120 H120 126.0 . . ?
Fe10 C120 H120 126.6 . . ?
C122 C121 P4 112.97(18) . . ?
C122 C121 H12A 109.0 . . ?
P4 C121 H12A 109.0 . . ?
C122 C121 H12B 109.0 . . ?
P4 C121 H12B 109.0 . . ?
H12A C121 H12B 107.8 . . ?
C123 C122 C121 112.6(2) . . ?
C123 C122 H12C 109.1 . . ?
C121 C122 H12C 109.1 . . ?
C123 C122 H12D 109.1 . . ?
C121 C122 H12D 109.1 . . ?
H12C C122 H12D 107.8 . . ?
C127 C123 C124 107.2(3) . . ?
C127 C123 C122 125.5(3) . . ?
C124 C123 C122 127.2(3) . . ?
C127 C123 Fe11 69.44(19) . . ?
C124 C123 Fe11 69.83(17) . . ?
C122 C123 Fe11 127.6(2) . . ?
C125 C124 C123 108.2(3) . . ?
C125 C124 Fe11 69.67(18) . . ?
C123 C124 Fe11 69.42(17) . . ?
C125 C124 H124 125.9 . . ?
C123 C124 H124 125.9 . . ?
Fe11 C124 H124 126.6 . . ?
C126 C125 C124 108.5(3) . . ?
C126 C125 Fe11 69.8(2) . . ?
C124 C125 Fe11 69.79(18) . . ?
C126 C125 H125 125.8 . . ?
C124 C125 H125 125.8 . . ?
Fe11 C125 H125 126.3 . . ?
C125 C126 C127 107.9(3) . . ?
C125 C126 Fe11 70.1(2) . . ?
C127 C126 Fe11 69.4(2) . . ?
C125 C126 H126 126.0 . . ?
C127 C126 H126 126.0 . . ?
Fe11 C126 H126 126.1 . . ?
C123 C127 C126 108.1(3) . . ?
C123 C127 Fe11 69.76(19) . . ?
C126 C127 Fe11 69.7(2) . . ?
C123 C127 H127 125.9 . . ?
C126 C127 H127 125.9 . . ?
Fe11 C127 H127 126.2 . . ?
C129 C128 C132 109.5(4) . . ?
C129 C128 Fe11 70.3(2) . . ?
C132 C128 Fe11 69.4(2) . . ?
C129 C128 H128 125.3 . . ?
C132 C128 H128 125.3 . . ?
Fe11 C128 H128 126.6 . . ?
C128 C129 C130 105.6(4) . . ?
C128 C129 Fe11 69.7(2) . . ?
C130 C129 Fe11 68.7(3) . . ?
C128 C129 H129 127.2 . . ?
C130 C129 H129 127.2 . . ?
Fe11 C129 H129 125.9 . . ?
C131 C130 C129 109.5(4) . . ?
C131 C130 Fe11 69.8(2) . . ?
C129 C130 Fe11 70.3(2) . . ?
C131 C130 H130 125.2 . . ?
C129 C130 H130 125.2 . . ?
Fe11 C130 H130 126.2 . . ?
C132 C131 C130 107.5(4) . . ?
C132 C131 Fe11 70.2(2) . . ?
C130 C131 Fe11 69.7(2) . . ?
C132 C131 H131 126.2 . . ?
C130 C131 H131 126.2 . . ?
Fe11 C131 H131 125.5 . . ?
C131 C132 C128 107.9(4) . . ?
C131 C132 Fe11 69.8(2) . . ?
C128 C132 Fe11 69.8(2) . . ?
C131 C132 H132 126.0 . . ?
C128 C132 H132 126.0 . . ?
Fe11 C132 H132 125.9 . . ?
C134 C133 P4 114.9(2) . . ?
C134 C133 H13C 108.5 . . ?
P4 C133 H13C 108.5 . . ?
C134 C133 H13D 108.5 . . ?
P4 C133 H13D 108.5 . . ?
H13C C133 H13D 107.5 . . ?
C135 C134 C133 111.8(2) . . ?
C135 C134 H13E 109.3 . . ?
C133 C134 H13E 109.3 . . ?
C135 C134 H13F 109.3 . . ?
C133 C134 H13F 109.3 . . ?
H13E C134 H13F 107.9 . . ?
C136 C135 C139 106.8(3) . . ?
C136 C135 C134 126.0(3) . . ?
C139 C135 C134 127.2(3) . . ?
C136 C135 Fe12 69.07(17) . . ?
C139 C135 Fe12 69.44(17) . . ?
C134 C135 Fe12 128.8(2) . . ?
C135 C136 C137 108.3(3) . . ?
C135 C136 Fe12 70.27(17) . . ?
C137 C136 Fe12 69.45(19) . . ?
C135 C136 H136 125.8 . . ?
C137 C136 H136 125.8 . . ?
Fe12 C136 H136 126.0 . . ?
C138 C137 C136 108.2(3) . . ?
C138 C137 Fe12 69.97(19) . . ?
C136 C137 Fe12 69.68(18) . . ?
C138 C137 H137 125.9 . . ?
C136 C137 H137 125.9 . . ?
Fe12 C137 H137 126.0 . . ?
C137 C138 C139 108.2(3) . . ?
C137 C138 Fe12 69.69(18) . . ?
C139 C138 Fe12 70.19(17) . . ?
C137 C138 H138 125.9 . . ?
C139 C138 H138 125.9 . . ?
Fe12 C138 H138 125.8 . . ?
C138 C139 C135 108.6(3) . . ?
C138 C139 Fe12 69.40(17) . . ?
C135 C139 Fe12 69.78(16) . . ?
C138 C139 H139 125.7 . . ?
C135 C139 H139 125.7 . . ?
Fe12 C139 H139 126.7 . . ?
C141 C140 C144 107.9(3) . . ?
C141 C140 Fe12 69.78(19) . . ?
C144 C140 Fe12 70.3(2) . . ?
C141 C140 H140 126.0 . . ?
C144 C140 H140 126.0 . . ?
Fe12 C140 H140 125.5 . . ?
C142 C141 C140 108.6(3) . . ?
C142 C141 Fe12 70.41(19) . . ?
C140 C141 Fe12 69.76(18) . . ?
C142 C141 H141 125.7 . . ?
C140 C141 H141 125.7 . . ?
Fe12 C141 H141 125.7 . . ?
C141 C142 C143 107.9(3) . . ?
C141 C142 Fe12 69.59(18) . . ?
C143 C142 Fe12 69.7(2) . . ?
C141 C142 H142 126.0 . . ?
C143 C142 H142 126.0 . . ?
Fe12 C142 H142 126.2 . . ?
C142 C143 C144 108.1(3) . . ?
C142 C143 Fe12 70.1(2) . . ?
C144 C143 Fe12 69.9(2) . . ?
C142 C143 H143 125.9 . . ?
C144 C143 H143 125.9 . . ?
Fe12 C143 H143 125.6 . . ?
C140 C144 C143 107.4(3) . . ?
C140 C144 Fe12 69.4(2) . . ?
C143 C144 Fe12 69.5(2) . . ?
C140 C144 H144 126.3 . . ?
C143 C144 H144 126.3 . . ?
Fe12 C144 H144 126.4 . . ?
C146 C145 P5 113.56(19) . . ?
C146 C145 H14C 108.9 . . ?
P5 C145 H14C 108.9 . . ?
C146 C145 H14D 108.9 . . ?
P5 C145 H14D 108.9 . . ?
H14C C145 H14D 107.7 . . ?
C147 C146 C145 113.0(2) . . ?
C147 C146 H14E 109.0 . . ?
C145 C146 H14E 109.0 . . ?
C147 C146 H14F 109.0 . . ?
C145 C146 H14F 109.0 . . ?
H14E C146 H14F 107.8 . . ?
C148 C147 C151 107.2(3) . . ?
C148 C147 C146 128.6(3) . . ?
C151 C147 C146 124.2(3) . . ?
C148 C147 Fe13 69.54(17) . . ?
C151 C147 Fe13 68.72(16) . . ?
C146 C147 Fe13 128.4(2) . . ?
C147 C148 C149 108.5(3) . . ?
C147 C148 Fe13 70.10(17) . . ?
C149 C148 Fe13 69.20(17) . . ?
C147 C148 H148 125.7 . . ?
C149 C148 H148 125.7 . . ?
Fe13 C148 H148 126.5 . . ?
C150 C149 C148 107.7(3) . . ?
C150 C149 Fe13 69.59(19) . . ?
C148 C149 Fe13 69.83(17) . . ?
C150 C149 H149 126.2 . . ?
C148 C149 H149 126.2 . . ?
Fe13 C149 H149 126.0 . . ?
C151 C150 C149 108.3(3) . . ?
C151 C150 Fe13 69.60(18) . . ?
C149 C150 Fe13 69.76(19) . . ?
C151 C150 H150 125.9 . . ?
C149 C150 H150 125.9 . . ?
Fe13 C150 H150 126.3 . . ?
C150 C151 C147 108.3(3) . . ?
C150 C151 Fe13 69.74(19) . . ?
C147 C151 Fe13 70.21(17) . . ?
C150 C151 H151 125.8 . . ?
C147 C151 H151 125.8 . . ?
Fe13 C151 H151 125.8 . . ?
C156 C152 C153 107.6(3) . . ?
C156 C152 Fe13 69.8(2) . . ?
C153 C152 Fe13 69.1(2) . . ?
C156 C152 H152 126.2 . . ?
C153 C152 H152 126.2 . . ?
Fe13 C152 H152 126.5 . . ?
C152 C153 C154 107.6(3) . . ?
C152 C153 Fe13 70.3(2) . . ?
C154 C153 Fe13 69.3(2) . . ?
C152 C153 H153 126.2 . . ?
C154 C153 H153 126.2 . . ?
Fe13 C153 H153 125.7 . . ?
C155 C154 C153 107.9(3) . . ?
C155 C154 Fe13 70.5(2) . . ?
C153 C154 Fe13 69.6(2) . . ?
C155 C154 H154 126.1 . . ?
C153 C154 H154 126.1 . . ?
Fe13 C154 H154 125.4 . . ?
C154 C155 C156 108.4(3) . . ?
C154 C155 Fe13 69.31(19) . . ?
C156 C155 Fe13 69.99(19) . . ?
C154 C155 H155 125.8 . . ?
C156 C155 H155 125.8 . . ?
Fe13 C155 H155 126.5 . . ?
C155 C156 C152 108.5(3) . . ?
C155 C156 Fe13 69.91(19) . . ?
C152 C156 Fe13 69.96(19) . . ?
C155 C156 H156 125.7 . . ?
C152 C156 H156 125.7 . . ?
Fe13 C156 H156 126.0 . . ?
C158 C157 P5 116.5(2) . . ?
C158 C157 H15A 108.2 . . ?
P5 C157 H15A 108.2 . . ?
C158 C157 H15B 108.2 . . ?
P5 C157 H15B 108.2 . . ?
H15A C157 H15B 107.3 . . ?
C159 C158 C157 115.5(2) . . ?
C159 C158 H15C 108.4 . . ?
C157 C158 H15C 108.4 . . ?
C159 C158 H15D 108.4 . . ?
C157 C158 H15D 108.4 . . ?
H15C C158 H15D 107.5 . . ?
C163 C159 C160 106.8(3) . . ?
C163 C159 C158 127.2(3) . . ?
C160 C159 C158 126.0(3) . . ?
C163 C159 Fe14 69.13(17) . . ?
C160 C159 Fe14 69.89(16) . . ?
C158 C159 Fe14 124.0(2) . . ?
C159 C160 C161 108.4(3) . . ?
C159 C160 Fe14 69.31(16) . . ?
C161 C160 Fe14 69.35(17) . . ?
C159 C160 H160 125.8 . . ?
C161 C160 H160 125.8 . . ?
Fe14 C160 H160 127.1 . . ?
C162 C161 C160 107.9(3) . . ?
C162 C161 Fe14 69.41(18) . . ?
C160 C161 Fe14 69.68(17) . . ?
C162 C161 H161 126.0 . . ?
C160 C161 H161 126.0 . . ?
Fe14 C161 H161 126.5 . . ?
C161 C162 C163 108.0(3) . . ?
C161 C162 Fe14 70.27(18) . . ?
C163 C162 Fe14 69.38(18) . . ?
C161 C162 H162 126.0 . . ?
C163 C162 H162 126.0 . . ?
Fe14 C162 H162 125.9 . . ?
C159 C163 C162 108.9(3) . . ?
C159 C163 Fe14 69.98(17) . . ?
C162 C163 Fe14 69.63(18) . . ?
C159 C163 H163 125.5 . . ?
C162 C163 H163 125.5 . . ?
Fe14 C163 H163 126.4 . . ?
C168 C164 C165 107.9(3) . . ?
C168 C164 Fe14 69.7(2) . . ?
C165 C164 Fe14 69.63(19) . . ?
C168 C164 H164 126.1 . . ?
C165 C164 H164 126.1 . . ?
Fe14 C164 H164 126.2 . . ?
C164 C165 C166 108.1(4) . . ?
C164 C165 Fe14 70.0(2) . . ?
C166 C165 Fe14 69.7(2) . . ?
C164 C165 H165 126.0 . . ?
C166 C165 H165 126.0 . . ?
Fe14 C165 H165 125.9 . . ?
C165 C166 C167 108.0(3) . . ?
C165 C166 Fe14 69.72(19) . . ?
C167 C166 Fe14 69.6(2) . . ?
C165 C166 H166 126.0 . . ?
C167 C166 H166 126.0 . . ?
Fe14 C166 H166 126.3 . . ?
C168 C167 C166 107.3(4) . . ?
C168 C167 Fe14 69.8(2) . . ?
C166 C167 Fe14 69.7(2) . . ?
C168 C167 H167 126.3 . . ?
C166 C167 H167 126.3 . . ?
Fe14 C167 H167 125.7 . . ?
C164 C168 C167 108.8(4) . . ?
C164 C168 Fe14 70.1(2) . . ?
C167 C168 Fe14 69.7(2) . . ?
C164 C168 H168 125.6 . . ?
C167 C168 H168 125.6 . . ?
Fe14 C168 H168 126.2 . . ?
C170 C169 P5 112.3(2) . . ?
C170 C169 H16A 109.2 . . ?
P5 C169 H16A 109.2 . . ?
C170 C169 H16B 109.2 . . ?
P5 C169 H16B 109.2 . . ?
H16A C169 H16B 107.9 . . ?
C171 C170 C169 114.3(2) . . ?
C171 C170 H17A 108.7 . . ?
C169 C170 H17A 108.7 . . ?
C171 C170 H17B 108.7 . . ?
C169 C170 H17B 108.7 . . ?
H17A C170 H17B 107.6 . . ?
C172 C171 C175 107.2(3) . . ?
C172 C171 C170 124.7(3) . . ?
C175 C171 C170 128.1(3) . . ?
C172 C171 Fe15 69.54(16) . . ?
C175 C171 Fe15 69.59(16) . . ?
C170 C171 Fe15 127.37(19) . . ?
C171 C172 C173 108.8(3) . . ?
C171 C172 Fe15 69.74(16) . . ?
C173 C172 Fe15 69.75(17) . . ?
C171 C172 H172 125.6 . . ?
C173 C172 H172 125.6 . . ?
Fe15 C172 H172 126.5 . . ?
C174 C173 C172 107.6(3) . . ?
C174 C173 Fe15 69.52(17) . . ?
C172 C173 Fe15 69.32(17) . . ?
C174 C173 H173 126.2 . . ?
C172 C173 H173 126.2 . . ?
Fe15 C173 H173 126.5 . . ?
C173 C174 C175 108.0(3) . . ?
C173 C174 Fe15 69.95(17) . . ?
C175 C174 Fe15 69.51(16) . . ?
C173 C174 H174 126.0 . . ?
C175 C174 H174 126.0 . . ?
Fe15 C174 H174 126.1 . . ?
C171 C175 C174 108.4(3) . . ?
C171 C175 Fe15 69.68(15) . . ?
C174 C175 Fe15 69.42(16) . . ?
C171 C175 H175 125.8 . . ?
C174 C175 H175 125.8 . . ?
Fe15 C175 H175 126.7 . . ?
C180 C176 C177 104.0(4) . . ?
C180 C176 Fe15 69.4(2) . . ?
C177 C176 Fe15 68.71(19) . . ?
C180 C176 H176 128.0 . . ?
C177 C176 H176 128.0 . . ?
Fe15 C176 H176 125.5 . . ?
C178 C177 C176 107.7(4) . . ?
C178 C177 Fe15 69.8(2) . . ?
C176 C177 Fe15 69.61(18) . . ?
C178 C177 H177 126.1 . . ?
C176 C177 H177 126.1 . . ?
Fe15 C177 H177 126.0 . . ?
C179 C178 C177 109.2(4) . . ?
C179 C178 Fe15 70.9(2) . . ?
C177 C178 Fe15 69.8(2) . . ?
C179 C178 H178 125.4 . . ?
C177 C178 H178 125.4 . . ?
Fe15 C178 H178 125.5 . . ?
C178 C179 C180 110.1(5) . . ?
C178 C179 Fe15 70.7(3) . . ?
C180 C179 Fe15 70.6(2) . . ?
C178 C179 H179 124.9 . . ?
C180 C179 H179 124.9 . . ?
Fe15 C179 H179 125.4 . . ?
C179 C180 C176 108.9(4) . . ?
C179 C180 Fe15 70.0(2) . . ?
C176 C180 Fe15 69.47(19) . . ?
C179 C180 H180 125.6 . . ?
C176 C180 H180 125.6 . . ?
Fe15 C180 H180 126.6 . . ?
C182 C181 P6 113.30(19) . . ?
C182 C181 H18A 108.9 . . ?
P6 C181 H18A 108.9 . . ?
C182 C181 H18B 108.9 . . ?
P6 C181 H18B 108.9 . . ?
H18A C181 H18B 107.7 . . ?
C183 C182 C181 113.8(2) . . ?
C183 C182 H18C 108.8 . . ?
C181 C182 H18C 108.8 . . ?
C183 C182 H18D 108.8 . . ?
C181 C182 H18D 108.8 . . ?
H18C C182 H18D 107.7 . . ?
C184 C183 C187 107.6(3) . . ?
C184 C183 C182 124.4(3) . . ?
C187 C183 C182 128.0(3) . . ?
C184 C183 Fe16 69.62(18) . . ?
C187 C183 Fe16 69.35(17) . . ?
C182 C183 Fe16 128.5(2) . . ?
C183 C184 C185 108.5(3) . . ?
C183 C184 Fe16 69.74(18) . . ?
C185 C184 Fe16 69.70(19) . . ?
C183 C184 H184 125.7 . . ?
C185 C184 H184 125.7 . . ?
Fe16 C184 H184 126.4 . . ?
C186 C185 C184 107.7(3) . . ?
C186 C185 Fe16 69.5(2) . . ?
C184 C185 Fe16 69.47(18) . . ?
C186 C185 H185 126.1 . . ?
C184 C185 H185 126.1 . . ?
Fe16 C185 H185 126.5 . . ?
C185 C186 C187 108.2(3) . . ?
C185 C186 Fe16 69.82(19) . . ?
C187 C186 Fe16 69.54(17) . . ?
C185 C186 H186 125.9 . . ?
C187 C186 H186 125.9 . . ?
Fe16 C186 H186 126.3 . . ?
C186 C187 C183 107.9(3) . . ?
C186 C187 Fe16 69.59(19) . . ?
C183 C187 Fe16 69.62(17) . . ?
C186 C187 H187 126.0 . . ?
C183 C187 H187 126.0 . . ?
Fe16 C187 H187 126.3 . . ?
C189 C188 C192 108.7(3) . . ?
C189 C188 Fe16 69.5(2) . . ?
C192 C188 Fe16 70.24(19) . . ?
C189 C188 H188 125.6 . . ?
C192 C188 H188 125.6 . . ?
Fe16 C188 H188 126.2 . . ?
C188 C189 C190 107.7(3) . . ?
C188 C189 Fe16 70.40(19) . . ?
C190 C189 Fe16 69.6(2) . . ?
C188 C189 H189 126.1 . . ?
C190 C189 H189 126.1 . . ?
Fe16 C189 H189 125.4 . . ?
C189 C190 C191 108.0(3) . . ?
C189 C190 Fe16 69.59(19) . . ?
C191 C190 Fe16 70.3(2) . . ?
C189 C190 H190 126.0 . . ?
C191 C190 H190 126.0 . . ?
Fe16 C190 H190 125.7 . . ?
C192 C191 C190 107.2(3) . . ?
C192 C191 Fe16 69.9(2) . . ?
C190 C191 Fe16 69.0(2) . . ?
C192 C191 H191 126.4 . . ?
C190 C191 H191 126.4 . . ?
Fe16 C191 H191 126.3 . . ?
C188 C192 C191 108.3(3) . . ?
C188 C192 Fe16 69.7(2) . . ?
C191 C192 Fe16 69.8(2) . . ?
C188 C192 H192 125.8 . . ?
C191 C192 H192 125.8 . . ?
Fe16 C192 H192 126.2 . . ?
C194 C193 P6 110.78(19) . . ?
C194 C193 H19A 109.5 . . ?
P6 C193 H19A 109.5 . . ?
C194 C193 H19B 109.5 . . ?
P6 C193 H19B 109.5 . . ?
H19A C193 H19B 108.1 . . ?
C195 C194 C193 115.2(2) . . ?
C195 C194 H19C 108.5 . . ?
C193 C194 H19C 108.5 . . ?
C195 C194 H19D 108.5 . . ?
C193 C194 H19D 108.5 . . ?
H19C C194 H19D 107.5 . . ?
C199 C195 C196 107.2(2) . . ?
C199 C195 C194 126.1(2) . . ?
C196 C195 C194 126.3(2) . . ?
C199 C195 Fe17 69.52(15) . . ?
C196 C195 Fe17 68.52(15) . . ?
C194 C195 Fe17 132.46(19) . . ?
C197 C196 C195 108.1(2) . . ?
C197 C196 Fe17 69.74(16) . . ?
C195 C196 Fe17 70.44(16) . . ?
C197 C196 H196 125.9 . . ?
C195 C196 H196 125.9 . . ?
Fe17 C196 H196 125.5 . . ?
C196 C197 C198 108.3(2) . . ?
C196 C197 Fe17 69.50(16) . . ?
C198 C197 Fe17 69.62(16) . . ?
C196 C197 H197 125.8 . . ?
C198 C197 H197 125.8 . . ?
Fe17 C197 H197 126.6 . . ?
C197 C198 C199 107.6(3) . . ?
C197 C198 Fe17 69.58(16) . . ?
C199 C198 Fe17 70.13(16) . . ?
C197 C198 H198 126.2 . . ?
C199 C198 H198 126.2 . . ?
Fe17 C198 H198 125.6 . . ?
C195 C199 C198 108.8(2) . . ?
C195 C199 Fe17 70.14(15) . . ?
C198 C199 Fe17 69.09(16) . . ?
C195 C199 H199 125.6 . . ?
C198 C199 H199 125.6 . . ?
Fe17 C199 H199 126.7 . . ?
C201 C200 C204 108.5(3) . . ?
C201 C200 Fe17 69.78(18) . . ?
C204 C200 Fe17 70.01(17) . . ?
C201 C200 H200 125.8 . . ?
C204 C200 H200 125.8 . . ?
Fe17 C200 H200 126.0 . . ?
C200 C201 C202 108.0(3) . . ?
C200 C201 Fe17 69.71(18) . . ?
C202 C201 Fe17 70.21(17) . . ?
C200 C201 H201 126.0 . . ?
C202 C201 H201 126.0 . . ?
Fe17 C201 H201 125.7 . . ?
C203 C202 C201 107.9(3) . . ?
C203 C202 Fe17 69.68(17) . . ?
C201 C202 Fe17 69.14(17) . . ?
C203 C202 H202 126.1 . . ?
C201 C202 H202 126.1 . . ?
Fe17 C202 H202 126.7 . . ?
C202 C203 C204 107.9(3) . . ?
C202 C203 Fe17 69.85(17) . . ?
C204 C203 Fe17 69.45(17) . . ?
C202 C203 H203 126.1 . . ?
C204 C203 H203 126.1 . . ?
Fe17 C203 H203 126.2 . . ?
C200 C204 C203 107.8(3) . . ?
C200 C204 Fe17 69.49(17) . . ?
C203 C204 Fe17 69.89(17) . . ?
C200 C204 H204 126.1 . . ?
C203 C204 H204 126.1 . . ?
Fe17 C204 H204 126.1 . . ?
C206 C205 P6 110.24(19) . . ?
C206 C205 H20A 109.6 . . ?
P6 C205 H20A 109.6 . . ?
C206 C205 H20B 109.6 . . ?
P6 C205 H20B 109.6 . . ?
H20A C205 H20B 108.1 . . ?
C207 C206 C205 112.9(2) . . ?
C207 C206 H20C 109.0 . . ?
C205 C206 H20C 109.0 . . ?
C207 C206 H20D 109.0 . . ?
C205 C206 H20D 109.0 . . ?
H20C C206 H20D 107.8 . . ?
C208 C207 C211 107.8(3) . . ?
C208 C207 C206 124.8(2) . . ?
C211 C207 C206 127.4(3) . . ?
C208 C207 Fe18 69.79(17) . . ?
C211 C207 Fe18 70.20(17) . . ?
C206 C207 Fe18 123.6(2) . . ?
C207 C208 C209 108.9(2) . . ?
C207 C208 Fe18 69.47(17) . . ?
C209 C208 Fe18 70.42(17) . . ?
C207 C208 H208 125.6 . . ?
C209 C208 H208 125.6 . . ?
Fe18 C208 H208 126.1 . . ?
C210 C209 C208 107.2(3) . . ?
C210 C209 Fe18 69.67(17) . . ?
C208 C209 Fe18 68.58(17) . . ?
C210 C209 H209 126.4 . . ?
C208 C209 H209 126.4 . . ?
Fe18 C209 H209 126.9 . . ?
C209 C210 C211 108.0(2) . . ?
C209 C210 Fe18 69.80(17) . . ?
C211 C210 Fe18 69.20(16) . . ?
C209 C210 H210 126.0 . . ?
C211 C210 H210 126.0 . . ?
Fe18 C210 H210 126.6 . . ?
C207 C211 C210 108.1(2) . . ?
C207 C211 Fe18 68.91(16) . . ?
C210 C211 Fe18 69.95(17) . . ?
C207 C211 H211 125.9 . . ?
C210 C211 H211 125.9 . . ?
Fe18 C211 H211 126.8 . . ?
C213 C212 C216 108.5(3) . . ?
C213 C212 Fe18 69.6(2) . . ?
C216 C212 Fe18 70.0(2) . . ?
C213 C212 H212 125.8 . . ?
C216 C212 H212 125.8 . . ?
Fe18 C212 H212 126.2 . . ?
C214 C213 C212 107.6(3) . . ?
C214 C213 Fe18 70.16(18) . . ?
C212 C213 Fe18 69.7(2) . . ?
C214 C213 H213 126.2 . . ?
C212 C213 H213 126.2 . . ?
Fe18 C213 H213 125.5 . . ?
C213 C214 C215 108.3(3) . . ?
C213 C214 Fe18 69.28(19) . . ?
C215 C214 Fe18 69.79(18) . . ?
C213 C214 H214 125.8 . . ?
C215 C214 H214 125.8 . . ?
Fe18 C214 H214 126.7 . . ?
C216 C215 C214 108.1(3) . . ?
C216 C215 Fe18 69.8(2) . . ?
C214 C215 Fe18 69.50(18) . . ?
C216 C215 H215 126.0 . . ?
C214 C215 H215 126.0 . . ?
Fe18 C215 H215 126.3 . . ?
C215 C216 C212 107.6(3) . . ?
C215 C216 Fe18 69.96(19) . . ?
C212 C216 Fe18 69.1(2) . . ?
C215 C216 H216 126.2 . . ?
C212 C216 H216 126.2 . . ?
Fe18 C216 H216 126.3 . . ?
C218 C217 P7 113.59(19) . . ?
C218 C217 H21A 108.8 . . ?
P7 C217 H21A 108.8 . . ?
C218 C217 H21B 108.8 . . ?
P7 C217 H21B 108.8 . . ?
H21A C217 H21B 107.7 . . ?
C219 C218 C217 113.1(2) . . ?
C219 C218 H21C 109.0 . . ?
C217 C218 H21C 109.0 . . ?
C219 C218 H21D 109.0 . . ?
C217 C218 H21D 109.0 . . ?
H21C C218 H21D 107.8 . . ?
C220 C219 C223 106.9(3) . . ?
C220 C219 C218 125.7(3) . . ?
C223 C219 C218 127.4(3) . . ?
C220 C219 Fe19 69.18(17) . . ?
C223 C219 Fe19 69.47(17) . . ?
C218 C219 Fe19 128.3(2) . . ?
C221 C220 C219 108.4(3) . . ?
C221 C220 Fe19 69.82(17) . . ?
C219 C220 Fe19 69.95(17) . . ?
C221 C220 H220 125.8 . . ?
C219 C220 H220 125.8 . . ?
Fe19 C220 H220 126.0 . . ?
C222 C221 C220 108.2(3) . . ?
C222 C221 Fe19 70.39(17) . . ?
C220 C221 Fe19 69.31(17) . . ?
C222 C221 H221 125.9 . . ?
C220 C221 H221 125.9 . . ?
Fe19 C221 H221 126.0 . . ?
C221 C222 C223 108.1(3) . . ?
C221 C222 Fe19 69.42(17) . . ?
C223 C222 Fe19 69.28(17) . . ?
C221 C222 H222 126.0 . . ?
C223 C222 H222 126.0 . . ?
Fe19 C222 H222 126.9 . . ?
C222 C223 C219 108.5(3) . . ?
C222 C223 Fe19 70.12(18) . . ?
C219 C223 Fe19 69.61(17) . . ?
C222 C223 H223 125.8 . . ?
C219 C223 H223 125.8 . . ?
Fe19 C223 H223 126.1 . . ?
C225 C224 C228 108.1(3) . . ?
C225 C224 Fe19 69.71(18) . . ?
C228 C224 Fe19 69.99(17) . . ?
C225 C224 H224 126.0 . . ?
C228 C224 H224 126.0 . . ?
Fe19 C224 H224 125.9 . . ?
C226 C225 C224 107.8(3) . . ?
C226 C225 Fe19 69.77(18) . . ?
C224 C225 Fe19 69.58(18) . . ?
C226 C225 H225 126.1 . . ?
C224 C225 H225 126.1 . . ?
Fe19 C225 H225 126.1 . . ?
C227 C226 C225 108.7(3) . . ?
C227 C226 Fe19 70.38(18) . . ?
C225 C226 Fe19 69.67(18) . . ?
C227 C226 H226 125.7 . . ?
C225 C226 H226 125.7 . . ?
Fe19 C226 H226 125.9 . . ?
C226 C227 C228 107.7(3) . . ?
C226 C227 Fe19 69.30(17) . . ?
C228 C227 Fe19 69.36(18) . . ?
C226 C227 H227 126.1 . . ?
C228 C227 H227 126.1 . . ?
Fe19 C227 H227 126.8 . . ?
C224 C228 C227 107.8(3) . . ?
C224 C228 Fe19 69.29(18) . . ?
C227 C228 Fe19 69.97(17) . . ?
C224 C228 H228 126.1 . . ?
C227 C228 H228 126.1 . . ?
Fe19 C228 H228 126.2 . . ?
C230 C229 P7 114.45(19) . . ?
C230 C229 H22A 108.6 . . ?
P7 C229 H22A 108.6 . . ?
C230 C229 H22B 108.6 . . ?
P7 C229 H22B 108.6 . . ?
H22A C229 H22B 107.6 . . ?
C231 C230 C229 111.8(2) . . ?
C231 C230 H23A 109.3 . . ?
C229 C230 H23A 109.3 . . ?
C231 C230 H23B 109.3 . . ?
C229 C230 H23B 109.3 . . ?
H23A C230 H23B 107.9 . . ?
C235 C231 C232 106.9(2) . . ?
C235 C231 C230 126.9(3) . . ?
C232 C231 C230 126.2(3) . . ?
C235 C231 Fe20 69.53(15) . . ?
C232 C231 Fe20 68.89(15) . . ?
C230 C231 Fe20 127.43(18) . . ?
C233 C232 C231 108.1(3) . . ?
C233 C232 Fe20 69.36(16) . . ?
C231 C232 Fe20 70.05(16) . . ?
C233 C232 H232 125.9 . . ?
C231 C232 H232 125.9 . . ?
Fe20 C232 H232 126.2 . . ?
C234 C233 C232 108.6(3) . . ?
C234 C233 Fe20 70.03(17) . . ?
C232 C233 Fe20 69.68(16) . . ?
C234 C233 H233 125.7 . . ?
C232 C233 H233 125.7 . . ?
Fe20 C233 H233 126.2 . . ?
C233 C234 C235 107.7(3) . . ?
C233 C234 Fe20 69.42(16) . . ?
C235 C234 Fe20 69.94(16) . . ?
C233 C234 H234 126.2 . . ?
C235 C234 H234 126.2 . . ?
Fe20 C234 H234 126.1 . . ?
C234 C235 C231 108.7(3) . . ?
C234 C235 Fe20 69.24(15) . . ?
C231 C235 Fe20 69.72(15) . . ?
C234 C235 H235 125.6 . . ?
C231 C235 H235 125.6 . . ?
Fe20 C235 H235 127.0 . . ?
C240 C236 C237 108.0(3) . . ?
C240 C236 Fe20 69.52(16) . . ?
C237 C236 Fe20 69.76(16) . . ?
C240 C236 H236 126.0 . . ?
C237 C236 H236 126.0 . . ?
Fe20 C236 H236 126.3 . . ?
C236 C237 C238 107.7(3) . . ?
C236 C237 Fe20 69.79(16) . . ?
C238 C237 Fe20 69.26(15) . . ?
C236 C237 H237 126.1 . . ?
C238 C237 H237 126.1 . . ?
Fe20 C237 H237 126.4 . . ?
C239 C238 C237 108.3(3) . . ?
C239 C238 Fe20 70.05(16) . . ?
C237 C238 Fe20 69.91(16) . . ?
C239 C238 H238 125.9 . . ?
C237 C238 H238 125.9 . . ?
Fe20 C238 H238 125.8 . . ?
C238 C239 C240 107.6(3) . . ?
C238 C239 Fe20 69.44(17) . . ?
C240 C239 Fe20 69.49(16) . . ?
C238 C239 H239 126.2 . . ?
C240 C239 H239 126.2 . . ?
Fe20 C239 H239 126.4 . . ?
C236 C240 C239 108.4(3) . . ?
C236 C240 Fe20 69.98(17) . . ?
C239 C240 Fe20 69.88(16) . . ?
C236 C240 H240 125.8 . . ?
C239 C240 H240 125.8 . . ?
Fe20 C240 H240 125.9 . . ?
C242 C241 P7 110.4(2) . . ?
C242 C241 H24A 109.6 . . ?
P7 C241 H24A 109.6 . . ?
C242 C241 H24B 109.6 . . ?
P7 C241 H24B 109.6 . . ?
H24A C241 H24B 108.1 . . ?
C243 C242 C241 112.3(2) . . ?
C243 C242 H24C 109.1 . . ?
C241 C242 H24C 109.1 . . ?
C243 C242 H24D 109.1 . . ?
C241 C242 H24D 109.1 . . ?
H24C C242 H24D 107.9 . . ?
C247 C243 C244 107.7(3) . . ?
C247 C243 C242 125.6(3) . . ?
C244 C243 C242 126.7(3) . . ?
C247 C243 Fe21 69.97(16) . . ?
C244 C243 Fe21 69.81(17) . . ?
C242 C243 Fe21 124.0(2) . . ?
C245 C244 C243 108.4(3) . . ?
C245 C244 Fe21 70.0(2) . . ?
C243 C244 Fe21 69.16(18) . . ?
C245 C244 H244 125.8 . . ?
C243 C244 H244 125.8 . . ?
Fe21 C244 H244 126.7 . . ?
C246 C245 C244 107.8(3) . . ?
C246 C245 Fe21 69.4(2) . . ?
C244 C245 Fe21 69.38(19) . . ?
C246 C245 H245 126.1 . . ?
C244 C245 H245 126.1 . . ?
Fe21 C245 H245 126.7 . . ?
C245 C246 C247 108.1(3) . . ?
C245 C246 Fe21 70.1(2) . . ?
C247 C246 Fe21 69.44(18) . . ?
C245 C246 H246 125.9 . . ?
C247 C246 H246 125.9 . . ?
Fe21 C246 H246 126.1 . . ?
C243 C247 C246 108.0(3) . . ?
C243 C247 Fe21 69.39(17) . . ?
C246 C247 Fe21 69.43(18) . . ?
C243 C247 H247 126.0 . . ?
C246 C247 H247 126.0 . . ?
Fe21 C247 H247 126.8 . . ?
C252 C248 C249 108.5(3) . . ?
C252 C248 Fe21 70.07(19) . . ?
C249 C248 Fe21 69.78(19) . . ?
C252 C248 H248 125.7 . . ?
C249 C248 H248 125.7 . . ?
Fe21 C248 H248 126.0 . . ?
C250 C249 C248 107.7(3) . . ?
C250 C249 Fe21 70.1(2) . . ?
C248 C249 Fe21 69.29(19) . . ?
C250 C249 H249 126.1 . . ?
C248 C249 H249 126.1 . . ?
Fe21 C249 H249 126.0 . . ?
C249 C250 C251 107.7(3) . . ?
C249 C250 Fe21 69.48(19) . . ?
C251 C250 Fe21 69.4(2) . . ?
C249 C250 H250 126.1 . . ?
C251 C250 H250 126.1 . . ?
Fe21 C250 H250 126.6 . . ?
C252 C251 C250 108.4(3) . . ?
C252 C251 Fe21 69.76(18) . . ?
C250 C251 Fe21 69.79(18) . . ?
C252 C251 H251 125.8 . . ?
C250 C251 H251 125.8 . . ?
Fe21 C251 H251 126.2 . . ?
C251 C252 C248 107.7(3) . . ?
C251 C252 Fe21 69.81(19) . . ?
C248 C252 Fe21 69.40(18) . . ?
C251 C252 H252 126.2 . . ?
C248 C252 H252 126.2 . . ?
Fe21 C252 H252 126.2 . . ?
C254 C253 P8 117.6(2) . . ?
C254 C253 H25A 107.9 . . ?
P8 C253 H25A 107.9 . . ?
C254 C253 H25B 107.9 . . ?
P8 C253 H25B 107.9 . . ?
H25A C253 H25B 107.2 . . ?
C255 C254 C253 111.7(2) . . ?
C255 C254 H25C 109.3 . . ?
C253 C254 H25C 109.3 . . ?
C255 C254 H25D 109.3 . . ?
C253 C254 H25D 109.3 . . ?
H25C C254 H25D 107.9 . . ?
C259 C255 C256 107.4(3) . . ?
C259 C255 C254 126.4(3) . . ?
C256 C255 C254 126.1(3) . . ?
C259 C255 Fe22 69.43(18) . . ?
C256 C255 Fe22 69.35(18) . . ?
C254 C255 Fe22 127.9(2) . . ?
C257 C256 C255 107.9(3) . . ?
C257 C256 Fe22 69.2(2) . . ?
C255 C256 Fe22 69.74(18) . . ?
C257 C256 H256 126.0 . . ?
C255 C256 H256 126.0 . . ?
Fe22 C256 H256 126.6 . . ?
C258 C257 C256 108.2(3) . . ?
C258 C257 Fe22 69.6(2) . . ?
C256 C257 Fe22 69.8(2) . . ?
C258 C257 H257 125.9 . . ?
C256 C257 H257 125.9 . . ?
Fe22 C257 H257 126.3 . . ?
C257 C258 C259 108.0(3) . . ?
C257 C258 Fe22 69.6(2) . . ?
C259 C258 Fe22 69.95(18) . . ?
C257 C258 H258 126.0 . . ?
C259 C258 H258 126.0 . . ?
Fe22 C258 H258 126.0 . . ?
C258 C259 C255 108.4(3) . . ?
C258 C259 Fe22 69.30(19) . . ?
C255 C259 Fe22 69.76(17) . . ?
C258 C259 H259 125.8 . . ?
C255 C259 H259 125.8 . . ?
Fe22 C259 H259 126.7 . . ?
C264 C260 C261 108.4(3) . . ?
C264 C260 Fe22 69.8(2) . . ?
C261 C260 Fe22 69.4(2) . . ?
C264 C260 H260 125.8 . . ?
C261 C260 H260 125.8 . . ?
Fe22 C260 H260 126.7 . . ?
C262 C261 C260 107.3(3) . . ?
C262 C261 Fe22 69.2(2) . . ?
C260 C261 Fe22 70.15(19) . . ?
C262 C261 H261 126.4 . . ?
C260 C261 H261 126.4 . . ?
Fe22 C261 H261 125.8 . . ?
C263 C262 C261 108.9(3) . . ?
C263 C262 Fe22 69.88(19) . . ?
C261 C262 Fe22 70.20(19) . . ?
C263 C262 H262 125.6 . . ?
C261 C262 H262 125.6 . . ?
Fe22 C262 H262 125.9 . . ?
C262 C263 C264 107.6(3) . . ?
C262 C263 Fe22 69.65(19) . . ?
C264 C263 Fe22 70.22(19) . . ?
C262 C263 H263 126.2 . . ?
C264 C263 H263 126.2 . . ?
Fe22 C263 H263 125.5 . . ?
C260 C264 C263 107.8(3) . . ?
C260 C264 Fe22 70.08(19) . . ?
C263 C264 Fe22 69.0(2) . . ?
C260 C264 H264 126.1 . . ?
C263 C264 H264 126.1 . . ?
Fe22 C264 H264 126.4 . . ?
C266 C265 P8 112.89(19) . . ?
C266 C265 H26A 109.0 . . ?
P8 C265 H26A 109.0 . . ?
C266 C265 H26B 109.0 . . ?
P8 C265 H26B 109.0 . . ?
H26A C265 H26B 107.8 . . ?
C267 C266 C265 109.8(2) . . ?
C267 C266 H26C 109.7 . . ?
C265 C266 H26C 109.7 . . ?
C267 C266 H26D 109.7 . . ?
C265 C266 H26D 109.7 . . ?
H26C C266 H26D 108.2 . . ?
C271 C267 C268 106.6(3) . . ?
C271 C267 C266 126.4(3) . . ?
C268 C267 C266 126.7(3) . . ?
C271 C267 Fe23 69.13(17) . . ?
C268 C267 Fe23 69.48(17) . . ?
C266 C267 Fe23 130.5(2) . . ?
C269 C268 C267 108.8(3) . . ?
C269 C268 Fe23 69.71(18) . . ?
C267 C268 Fe23 69.67(17) . . ?
C269 C268 H268 125.6 . . ?
C267 C268 H268 125.6 . . ?
Fe23 C268 H268 126.6 . . ?
C270 C269 C268 107.7(3) . . ?
C270 C269 Fe23 69.13(18) . . ?
C268 C269 Fe23 69.67(17) . . ?
C270 C269 H269 126.2 . . ?
C268 C269 H269 126.1 . . ?
Fe23 C269 H269 126.6 . . ?
C269 C270 C271 108.1(3) . . ?
C269 C270 Fe23 70.20(17) . . ?
C271 C270 Fe23 69.78(17) . . ?
C269 C270 H270 126.0 . . ?
C271 C270 H270 126.0 . . ?
Fe23 C270 H270 125.7 . . ?
C270 C271 C267 108.8(3) . . ?
C270 C271 Fe23 69.43(17) . . ?
C267 C271 Fe23 69.99(16) . . ?
C270 C271 H271 125.6 . . ?
C267 C271 H271 125.6 . . ?
Fe23 C271 H271 126.5 . . ?
C273 C272 C276 108.0(3) . . ?
C273 C272 Fe23 70.0(2) . . ?
C276 C272 Fe23 69.8(2) . . ?
C273 C272 H272 126.0 . . ?
C276 C272 H272 126.0 . . ?
Fe23 C272 H272 125.9 . . ?
C272 C273 C274 108.2(3) . . ?
C272 C273 Fe23 69.63(19) . . ?
C274 C273 Fe23 69.7(2) . . ?
C272 C273 H273 125.9 . . ?
C274 C273 H273 125.9 . . ?
Fe23 C273 H273 126.3 . . ?
C273 C274 C275 108.0(3) . . ?
C273 C274 Fe23 69.9(2) . . ?
C275 C274 Fe23 69.4(2) . . ?
C273 C274 H274 126.0 . . ?
C275 C274 H274 126.0 . . ?
Fe23 C274 H274 126.3 . . ?
C276 C275 C274 107.5(3) . . ?
C276 C275 Fe23 69.8(2) . . ?
C274 C275 Fe23 69.7(2) . . ?
C276 C275 H275 126.3 . . ?
C274 C275 H275 126.3 . . ?
Fe23 C275 H275 125.8 . . ?
C272 C276 C275 108.2(3) . . ?
C272 C276 Fe23 69.7(2) . . ?
C275 C276 Fe23 69.6(2) . . ?
C272 C276 H276 125.9 . . ?
C275 C276 H276 125.9 . . ?
Fe23 C276 H276 126.4 . . ?
C278 C277 P8 111.83(19) . . ?
C278 C277 H27A 109.3 . . ?
P8 C277 H27A 109.3 . . ?
C278 C277 H27B 109.3 . . ?
P8 C277 H27B 109.3 . . ?
H27A C277 H27B 107.9 . . ?
C279 C278 C277 113.7(3) . . ?
C289 C278 C277 112.8(3) . . ?
C279 C278 H27C 108.8 . . ?
C277 C278 H27C 108.8 . . ?
C279 C278 H27D 108.8 . . ?
C277 C278 H27D 108.8 . . ?
H27C C278 H27D 107.7 . . ?
C289 C278 H27E 109.0 . . ?
C277 C278 H27E 109.0 . . ?
C289 C278 H27F 109.0 . . ?
C277 C278 H27F 109.0 . . ?
H27E C278 H27F 107.8 . . ?
C284 Fe24 C279 133.4(3) . . ?
C284 Fe24 C280 105.9(2) . . ?
C279 Fe24 C280 40.91(9) . . ?
C284 Fe24 C288 42.36(10) . . ?
C279 Fe24 C288 106.34(17) . . ?
C280 Fe24 C288 107.23(19) . . ?
C284 Fe24 C285 42.34(10) . . ?
C279 Fe24 C285 174.76(19) . . ?
C280 Fe24 C285 139.0(3) . . ?
C288 Fe24 C285 68.44(12) . . ?
C284 Fe24 C283 174.0(3) . . ?
C279 Fe24 C283 40.77(8) . . ?
C280 Fe24 C283 68.61(11) . . ?
C288 Fe24 C283 135.69(19) . . ?
C285 Fe24 C283 143.6(3) . . ?
C284 Fe24 C281 109.4(2) . . ?
C279 Fe24 C281 68.61(12) . . ?
C280 Fe24 C281 40.77(9) . . ?
C288 Fe24 C281 137.7(2) . . ?
C285 Fe24 C281 114.7(2) . . ?
C283 Fe24 C281 68.36(12) . . ?
C284 Fe24 C282 140.8(2) . . ?
C279 Fe24 C282 68.46(11) . . ?
C280 Fe24 C282 68.45(12) . . ?
C288 Fe24 C282 174.74(18) . . ?
C285 Fe24 C282 116.75(19) . . ?
C283 Fe24 C282 40.55(9) . . ?
C281 Fe24 C282 40.55(9) . . ?
C284 Fe24 C287 65.90(12) . . ?
C279 Fe24 C287 112.91(19) . . ?
C280 Fe24 C287 137.3(2) . . ?
C288 Fe24 C287 37.49(9) . . ?
C285 Fe24 C287 63.41(12) . . ?
C283 Fe24 C287 116.13(19) . . ?
C281 Fe24 C287 174.9(2) . . ?
C282 Fe24 C287 144.5(2) . . ?
C284 Fe24 C286 65.88(13) . . ?
C279 Fe24 C286 141.3(2) . . ?
C280 Fe24 C286 170.36(19) . . ?
C288 Fe24 C286 63.41(12) . . ?
C285 Fe24 C286 37.47(9) . . ?
C283 Fe24 C286 119.3(2) . . ?
C281 Fe24 C286 145.1(2) . . ?
C282 Fe24 C286 121.0(2) . . ?
C287 Fe24 C286 35.83(8) . . ?
C283 C279 C280 108.0 . . ?
C283 C279 C278 130.5(4) . . ?
C280 C279 C278 121.5(4) . . ?
C283 C279 Fe24 70.11(19) . . ?
C280 C279 Fe24 69.56(18) . . ?
C278 C279 Fe24 126.8(3) . . ?
C281 C280 C279 108.0 . . ?
C281 C280 Fe24 70.1(2) . . ?
C279 C280 Fe24 69.53(17) . . ?
C281 C280 H280 126.0 . . ?
C279 C280 H280 126.0 . . ?
Fe24 C280 H280 125.9 . . ?
C280 C281 C282 108.0 . . ?
C280 C281 Fe24 69.11(19) . . ?
C282 C281 Fe24 70.03(18) . . ?
C280 C281 H281 126.0 . . ?
C282 C281 H281 126.0 . . ?
Fe24 C281 H281 126.4 . . ?
C283 C282 C281 108.0 . . ?
C283 C282 Fe24 69.41(18) . . ?
C281 C282 Fe24 69.43(18) . . ?
C283 C282 H282 126.0 . . ?
C281 C282 H282 126.0 . . ?
Fe24 C282 H282 126.7 . . ?
C282 C283 C279 108.0 . . ?
C282 C283 Fe24 70.04(19) . . ?
C279 C283 Fe24 69.11(19) . . ?
C282 C283 H283 126.0 . . ?
C279 C283 H283 126.0 . . ?
Fe24 C283 H283 126.4 . . ?
C288 C284 C285 108.0 . . ?
C288 C284 Fe24 75.7(2) . . ?
C285 C284 Fe24 75.8(2) . . ?
C288 C284 H284 126.0 . . ?
C285 C284 H284 126.0 . . ?
Fe24 C284 H284 114.8 . . ?
C284 C285 C286 108.0 . . ?
C284 C285 Fe24 61.9(2) . . ?
C286 C285 Fe24 81.4(2) . . ?
C284 C285 H285 126.0 . . ?
C286 C285 H285 126.0 . . ?
Fe24 C285 H285 121.8 . . ?
C287 C286 C285 108.0 . . ?
C287 C286 Fe24 72.04(17) . . ?
C285 C286 Fe24 61.10(19) . . ?
C287 C286 H286 126.0 . . ?
C285 C286 H286 126.0 . . ?
Fe24 C286 H286 132.3 . . ?
C286 C287 C288 108.0 . . ?
C286 C287 Fe24 72.12(17) . . ?
C288 C287 Fe24 61.06(19) . . ?
C286 C287 H287 126.0 . . ?
C288 C287 H287 126.0 . . ?
Fe24 C287 H287 132.3 . . ?
C284 C288 C287 108.0 . . ?
C284 C288 Fe24 62.0(2) . . ?
C287 C288 Fe24 81.5(2) . . ?
C284 C288 H288 126.0 . . ?
C287 C288 H288 126.0 . . ?
Fe24 C288 H288 121.7 . . ?
C294 Fe25 C298 47.06(17) . . ?
C294 Fe25 C295 45.80(14) . . ?
C298 Fe25 C295 75.15(17) . . ?
C294 Fe25 C291 132.3(3) . . ?
C298 Fe25 C291 178.2(3) . . ?
C295 Fe25 C291 105.5(2) . . ?
C294 Fe25 C290 171.0(2) . . ?
C298 Fe25 C290 139.1(3) . . ?
C295 Fe25 C290 136.5(2) . . ?
C291 Fe25 C290 41.33(12) . . ?
C294 Fe25 C292 101.8(3) . . ?
C298 Fe25 C292 137.1(3) . . ?
C295 Fe25 C292 105.1(2) . . ?
C291 Fe25 C292 41.14(13) . . ?
C290 Fe25 C292 69.29(16) . . ?
C294 Fe25 C289 135.3(3) . . ?
C298 Fe25 C289 110.0(2) . . ?
C295 Fe25 C289 173.9(2) . . ?
C291 Fe25 C289 69.29(15) . . ?
C290 Fe25 C289 41.13(12) . . ?
C292 Fe25 C289 68.94(14) . . ?
C294 Fe25 C293 103.4(2) . . ?
C298 Fe25 C293 109.2(3) . . ?
C295 Fe25 C293 135.0(3) . . ?
C291 Fe25 C293 69.08(15) . . ?
C290 Fe25 C293 69.07(14) . . ?
C292 Fe25 C293 40.84(11) . . ?
C289 Fe25 C293 40.83(11) . . ?
C294 Fe25 C297 72.61(19) . . ?
C298 Fe25 C297 40.88(13) . . ?
C295 Fe25 C297 68.68(16) . . ?
C291 Fe25 C297 140.9(3) . . ?
C290 Fe25 C297 116.3(2) . . ?
C292 Fe25 C297 173.5(3) . . ?
C289 Fe25 C297 117.4(2) . . ?
C293 Fe25 C297 142.9(3) . . ?
C294 Fe25 C296 71.58(17) . . ?
C298 Fe25 C296 69.01(17) . . ?
C295 Fe25 C296 39.91(12) . . ?
C291 Fe25 C296 112.6(2) . . ?
C290 Fe25 C296 115.8(2) . . ?
C292 Fe25 C296 137.2(3) . . ?
C289 Fe25 C296 144.5(3) . . ?
C293 Fe25 C296 174.6(3) . . ?
C297 Fe25 C296 38.36(11) . . ?
C290 C289 C293 108.0 . . ?
C290 C289 C278 131.0(4) . . ?
C293 C289 C278 121.0(4) . . ?
C290 C289 Fe25 68.8(2) . . ?
C293 C289 Fe25 70.0(2) . . ?
C278 C289 Fe25 128.2(4) . . ?
C291 C290 C289 108.0 . . ?
C291 C290 Fe25 69.3(3) . . ?
C289 C290 Fe25 70.1(3) . . ?
C291 C290 H29B 126.0 . . ?
C289 C290 H29B 126.0 . . ?
Fe25 C290 H29B 126.0 . . ?
C292 C291 C290 108.0 . . ?
C292 C291 Fe25 70.1(2) . . ?
C290 C291 Fe25 69.3(2) . . ?
C292 C291 H29C 126.0 . . ?
C290 C291 H29C 126.0 . . ?
Fe25 C291 H29C 126.0 . . ?
C291 C292 C293 108.0 . . ?
C291 C292 Fe25 68.8(2) . . ?
C293 C292 Fe25 70.0(3) . . ?
C291 C292 H29D 126.0 . . ?
C293 C292 H29D 126.0 . . ?
Fe25 C292 H29D 126.0 . . ?
C292 C293 C289 108.0 . . ?
C292 C293 Fe25 69.2(3) . . ?
C289 C293 Fe25 69.2(2) . . ?
C292 C293 H29E 126.0 . . ?
C289 C293 H29E 126.0 . . ?
Fe25 C293 H29E 126.0 . . ?
C298 C294 C295 108.0 . . ?
C298 C294 Fe25 72.3(3) . . ?
C295 C294 Fe25 75.6(3) . . ?
C298 C294 H29F 125.6 . . ?
C295 C294 H29F 125.6 . . ?
Fe25 C294 H29F 125.6 . . ?
C294 C295 C296 108.0 . . ?
C294 C295 Fe25 58.6(3) . . ?
C296 C295 Fe25 80.0(3) . . ?
C294 C295 H29G 126.0 . . ?
C296 C295 H29G 126.0 . . ?
Fe25 C295 H29G 126.0 . . ?
C297 C296 C295 108.0 . . ?
C297 C296 Fe25 69.4(2) . . ?
C295 C296 Fe25 60.1(2) . . ?
C297 C296 H29H 125.2 . . ?
C295 C296 H29H 125.2 . . ?
Fe25 C296 H29H 125.2 . . ?
C298 C297 C296 108.0 . . ?
C298 C297 Fe25 58.4(3) . . ?
C296 C297 Fe25 72.3(2) . . ?
C298 C297 H29I 125.4 . . ?
C296 C297 H29I 125.4 . . ?
Fe25 C297 H29I 125.4 . . ?
C297 C298 C294 108.0 . . ?
C297 C298 Fe25 80.7(3) . . ?
C294 C298 Fe25 60.6(3) . . ?
C297 C298 H29J 126.0 . . ?
C294 C298 H29J 126.0 . . ?
Fe25 C298 H29J 126.0 . . ?
C14 C13 P1 110.0(3) . . ?
C14 C13 H13A 109.7 . . ?
P1 C13 H13A 109.7 . . ?
C14 C13 H13B 109.7 . . ?
P1 C13 H13B 109.7 . . ?
H13A C13 H13B 108.2 . . ?
C33 Fe3 C34 40.92(9) . . ?
C33 Fe3 C31 149.2(2) . . ?
C34 Fe3 C31 114.8(2) . . ?
C33 Fe3 C32 40.85(11) . . ?
C34 Fe3 C32 68.71(13) . . ?
C31 Fe3 C32 167.2(3) . . ?
C33 Fe3 C35 68.69(12) . . ?
C34 Fe3 C35 40.79(8) . . ?
C31 Fe3 C35 105.6(2) . . ?
C32 Fe3 C35 68.53(13) . . ?
C33 Fe3 C27 170.1(2) . . ?
C34 Fe3 C27 145.9(2) . . ?
C31 Fe3 C27 40.74(9) . . ?
C32 Fe3 C27 129.7(2) . . ?
C35 Fe3 C27 112.7(2) . . ?
C33 Fe3 C30 118.9(2) . . ?
C34 Fe3 C30 109.6(2) . . ?
C31 Fe3 C30 40.72(12) . . ?
C32 Fe3 C30 151.5(3) . . ?
C35 Fe3 C30 129.9(3) . . ?
C27 Fe3 C30 68.37(15) . . ?
C33 Fe3 C36 68.61(14) . . ?
C34 Fe3 C36 68.57(12) . . ?
C31 Fe3 C36 127.6(3) . . ?
C32 Fe3 C36 40.68(11) . . ?
C35 Fe3 C36 40.65(9) . . ?
C27 Fe3 C36 105.7(2) . . ?
C30 Fe3 C36 167.3(3) . . ?
C33 Fe3 C28 133.5(2) . . ?
C34 Fe3 C28 172.8(2) . . ?
C31 Fe3 C28 68.27(13) . . ?
C32 Fe3 C28 109.8(2) . . ?
C35 Fe3 C28 146.0(2) . . ?
C27 Fe3 C28 40.50(9) . . ?
C30 Fe3 C28 68.09(19) . . ?
C36 Fe3 C28 115.3(2) . . ?
C33 Fe3 C29 112.3(2) . . ?
C34 Fe3 C29 133.6(3) . . ?
C31 Fe3 C29 68.25(19) . . ?
C32 Fe3 C29 119.1(2) . . ?
C35 Fe3 C29 170.1(3) . . ?
C27 Fe3 C29 68.10(16) . . ?
C30 Fe3 C29 40.47(16) . . ?
C36 Fe3 C29 149.3(3) . . ?
C28 Fe3 C29 40.34(13) . . ?
C26 C25 P1 133.0(6) . . ?
C26 C25 H25E 104.0 . . ?
P1 C25 H25E 104.0 . . ?
C26 C25 H25F 104.0 . . ?
P1 C25 H25F 104.0 . . ?
H25E C25 H25F 105.4 . . ?
C25 C26 C27 124.0(7) . . ?
C25 C26 H26E 106.3 . . ?
C27 C26 H26E 106.3 . . ?
C25 C26 H26F 106.3 . . ?
C27 C26 H26F 106.3 . . ?
H26E C26 H26F 106.4 . . ?
C31 C27 C28 108.0 . . ?
C31 C27 C26 128.0(5) . . ?
C28 C27 C26 124.0(5) . . ?
C31 C27 Fe3 69.3(2) . . ?
C28 C27 Fe3 70.3(2) . . ?
C26 C27 Fe3 125.9(4) . . ?
C27 C28 C29 108.0 . . ?
C27 C28 Fe3 69.2(2) . . ?
C29 C28 Fe3 69.9(3) . . ?
C27 C28 H28 126.0 . . ?
C29 C28 H28 126.0 . . ?
Fe3 C28 H28 126.5 . . ?
C30 C29 C28 108.0 . . ?
C30 C29 Fe3 69.2(2) . . ?
C28 C29 Fe3 69.8(2) . . ?
C30 C29 H29 126.0 . . ?
C28 C29 H29 126.0 . . ?
Fe3 C29 H29 126.5 . . ?
C29 C30 C31 108.0 . . ?
C29 C30 Fe3 70.3(2) . . ?
C31 C30 Fe3 69.3(2) . . ?
C29 C30 H30 126.0 . . ?
C31 C30 H30 126.0 . . ?
Fe3 C30 H30 126.0 . . ?
C30 C31 C27 108.0 . . ?
C30 C31 Fe3 70.0(3) . . ?
C27 C31 Fe3 69.9(2) . . ?
C30 C31 H31 126.0 . . ?
C27 C31 H31 126.0 . . ?
Fe3 C31 H31 125.6 . . ?
C36 C32 C33 108.0 . . ?
C36 C32 Fe3 69.93(19) . . ?
C33 C32 Fe3 69.26(18) . . ?
C36 C32 H32 126.0 . . ?
C33 C32 H32 126.0 . . ?
Fe3 C32 H32 126.4 . . ?
C34 C33 C32 108.0 . . ?
C34 C33 Fe3 69.6(2) . . ?
C32 C33 Fe3 69.90(19) . . ?
C34 C33 H33 126.0 . . ?
C32 C33 H33 126.0 . . ?
Fe3 C33 H33 126.1 . . ?
C35 C34 C33 108.0 . . ?
C35 C34 Fe3 69.97(19) . . ?
C33 C34 Fe3 69.5(2) . . ?
C35 C34 H34 126.0 . . ?
C33 C34 H34 126.0 . . ?
Fe3 C34 H34 126.1 . . ?
C34 C35 C36 108.0 . . ?
C34 C35 Fe3 69.24(18) . . ?
C36 C35 Fe3 69.8(2) . . ?
C34 C35 H35 126.0 . . ?
C36 C35 H35 126.0 . . ?
Fe3 C35 H35 126.5 . . ?
C32 C36 C35 108.0 . . ?
C32 C36 Fe3 69.4(2) . . ?
C35 C36 Fe3 69.53(19) . . ?
C32 C36 H36 126.0 . . ?
C35 C36 H36 126.0 . . ?
Fe3 C36 H36 126.7 . . ?
C14 C13A P1 109.9(5) . . ?
C14 C13A H13G 109.7 . . ?
P1 C13A H13G 109.7 . . ?
C14 C13A H13H 109.7 . . ?
P1 C13A H13H 109.7 . . ?
H13G C13A H13H 108.2 . . ?
C34A Fe3A C33A 40.90(13) . . ?
C34A Fe3A C29A 176.9(3) . . ?
C33A Fe3A C29A 136.6(3) . . ?
C34A Fe3A C30A 141.9(3) . . ?
C33A Fe3A C30A 175.6(3) . . ?
C29A Fe3A C30A 40.71(14) . . ?
C34A Fe3A C28A 136.7(3) . . ?
C33A Fe3A C28A 111.9(2) . . ?
C29A Fe3A C28A 40.67(12) . . ?
C30A Fe3A C28A 68.29(18) . . ?
C34A Fe3A C35A 40.70(12) . . ?
C33A Fe3A C35A 68.35(16) . . ?
C29A Fe3A C35A 142.1(3) . . ?
C30A Fe3A C35A 111.9(3) . . ?
C28A Fe3A C35A 175.6(3) . . ?
C34A Fe3A C31A 113.0(2) . . ?
C33A Fe3A C31A 144.0(3) . . ?
C29A Fe3A C31A 68.20(19) . . ?
C30A Fe3A C31A 40.47(13) . . ?
C28A Fe3A C31A 67.98(14) . . ?
C35A Fe3A C31A 109.1(2) . . ?
C34A Fe3A C27A 110.8(2) . . ?
C33A Fe3A C27A 115.2(2) . . ?
C29A Fe3A C27A 68.15(15) . . ?
C30A Fe3A C27A 68.01(16) . . ?
C28A Fe3A C27A 40.40(10) . . ?
C35A Fe3A C27A 135.3(3) . . ?
C31A Fe3A C27A 40.28(10) . . ?
C34A Fe3A C32A 68.25(18) . . ?
C33A Fe3A C32A 40.49(14) . . ?
C29A Fe3A C32A 110.9(3) . . ?
C30A Fe3A C32A 135.2(3) . . ?
C28A Fe3A C32A 115.4(2) . . ?
C35A Fe3A C32A 67.77(19) . . ?
C31A Fe3A C32A 174.1(3) . . ?
C27A Fe3A C32A 145.3(3) . . ?
C34A Fe3A C36A 68.04(17) . . ?
C33A Fe3A C36A 67.90(19) . . ?
C29A Fe3A C36A 113.4(3) . . ?
C30A Fe3A C36A 109.2(3) . . ?
C28A Fe3A C36A 144.1(3) . . ?
C35A Fe3A C36A 40.19(13) . . ?
C31A Fe3A C36A 134.4(3) . . ?
C27A Fe3A C36A 174.2(3) . . ?
C32A Fe3A C36A 40.07(15) . . ?
C26A C25A P1 149.4(6) . . ?
C26A C25A H25G 99.4 . . ?
P1 C25A H25G 99.4 . . ?
C26A C25A H25H 99.4 . . ?
P1 C25A H25H 99.4 . . ?
H25G C25A H25H 104.0 . . ?
C25A C26A C27A 140.4(6) . . ?
C25A C26A H26G 101.9 . . ?
C27A C26A H26G 101.9 . . ?
C25A C26A H26H 101.9 . . ?
C27A C26A H26H 101.9 . . ?
H26G C26A H26H 104.7 . . ?
C28A C27A C31A 108.0 . . ?
C28A C27A C26A 126.4(4) . . ?
C31A C27A C26A 125.6(4) . . ?
C28A C27A Fe3A 69.2(2) . . ?
C31A C27A Fe3A 69.8(2) . . ?
C26A C27A Fe3A 127.7(4) . . ?
C27A C28A C29A 108.0 . . ?
C27A C28A Fe3A 70.4(2) . . ?
C29A C28A Fe3A 69.2(3) . . ?
C27A C28A H28A 126.0 . . ?
C29A C28A H28A 126.0 . . ?
Fe3A C28A H28A 126.0 . . ?
C28A C29A C30A 108.0 . . ?
C28A C29A Fe3A 70.1(2) . . ?
C30A C29A Fe3A 69.9(2) . . ?
C28A C29A H29A 126.0 . . ?
C30A C29A H29A 126.0 . . ?
Fe3A C29A H29A 125.6 . . ?
C29A C30A C31A 108.0 . . ?
C29A C30A Fe3A 69.4(2) . . ?
C31A C30A Fe3A 70.4(2) . . ?
C29A C30A H30A 126.0 . . ?
C31A C30A H30A 126.0 . . ?
Fe3A C30A H30A 125.8 . . ?
C27A C31A C30A 108.0 . . ?
C27A C31A Fe3A 69.9(2) . . ?
C30A C31A Fe3A 69.2(3) . . ?
C27A C31A H31A 126.0 . . ?
C30A C31A H31A 126.0 . . ?
Fe3A C31A H31A 126.5 . . ?
C33A C32A C36A 108.0 . . ?
C33A C32A Fe3A 68.6(3) . . ?
C36A C32A Fe3A 70.4(3) . . ?
C33A C32A H32A 126.0 . . ?
C36A C32A H32A 126.0 . . ?
Fe3A C32A H32A 126.6 . . ?
C32A C33A C34A 108.0 . . ?
C32A C33A Fe3A 70.9(3) . . ?
C34A C33A Fe3A 69.3(3) . . ?
C32A C33A H33A 126.0 . . ?
C34A C33A H33A 126.0 . . ?
Fe3A C33A H33A 125.4 . . ?
C35A C34A C33A 108.0 . . ?
C35A C34A Fe3A 70.6(3) . . ?
C33A C34A Fe3A 69.8(3) . . ?
C35A C34A H34A 126.0 . . ?
C33A C34A H34A 126.0 . . ?
Fe3A C34A H34A 125.1 . . ?
C34A C35A C36A 108.0 . . ?
C34A C35A Fe3A 68.7(3) . . ?
C36A C35A Fe3A 70.8(3) . . ?
C34A C35A H35A 126.0 . . ?
C36A C35A H35A 126.0 . . ?
Fe3A C35A H35A 126.1 . . ?
C35A C36A C32A 108.0 . . ?
C35A C36A Fe3A 69.0(3) . . ?
C32A C36A Fe3A 69.5(3) . . ?
C35A C36A H36A 126.0 . . ?
C32A C36A H36A 126.0 . . ?
Fe3A C36A H36A 127.0 . . ?
C13A C14 C15 114.5(4) . . ?
C15 C14 C13 114.4(3) . . ?
C15 C14 H14G 108.7 . . ?
C13 C14 H14G 108.7 . . ?
C15 C14 H14A 108.7 . . ?
C13 C14 H14A 108.7 . . ?
H14G C14 H14A 107.6 . . ?
C13A C14 H14B 108.6 . . ?
C15 C14 H14B 108.6 . . ?
C13A C14 H14H 108.6 . . ?
C15 C14 H14H 108.6 . . ?
H14B C14 H14H 107.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C13 P1 C1 C2 75.4(3) . . . . ?
C25A P1 C1 C2 163.7(3) . . . . ?
C25 P1 C1 C2 -177.6(3) . . . . ?
C13A P1 C1 C2 59.4(4) . . . . ?
Cu1 P1 C1 C2 -59.1(2) . . . . ?
P1 C1 C2 C3 159.2(2) . . . . ?
C1 C2 C3 C7 -46.0(4) . . . . ?
C1 C2 C3 C4 138.1(3) . . . . ?
C1 C2 C3 Fe1 47.2(4) . . . . ?
C7 C3 C4 C5 -0.8(4) . . . . ?
C2 C3 C4 C5 175.7(3) . . . . ?
Fe1 C3 C4 C5 -60.0(2) . . . . ?
C7 C3 C4 Fe1 59.2(2) . . . . ?
C2 C3 C4 Fe1 -124.2(3) . . . . ?
C3 C4 C5 C6 0.9(4) . . . . ?
Fe1 C4 C5 C6 -59.6(2) . . . . ?
C3 C4 C5 Fe1 60.5(2) . . . . ?
C4 C5 C6 C7 -0.7(4) . . . . ?
Fe1 C5 C6 C7 -59.5(2) . . . . ?
C4 C5 C6 Fe1 58.8(3) . . . . ?
C5 C6 C7 C3 0.2(4) . . . . ?
Fe1 C6 C7 C3 -59.2(2) . . . . ?
C5 C6 C7 Fe1 59.3(2) . . . . ?
C4 C3 C7 C6 0.4(4) . . . . ?
C2 C3 C7 C6 -176.1(3) . . . . ?
Fe1 C3 C7 C6 58.9(2) . . . . ?
C4 C3 C7 Fe1 -58.5(2) . . . . ?
C2 C3 C7 Fe1 125.0(3) . . . . ?
C12 C8 C9 C10 0.3(5) . . . . ?
Fe1 C8 C9 C10 59.9(3) . . . . ?
C12 C8 C9 Fe1 -59.5(3) . . . . ?
C8 C9 C10 C11 0.4(5) . . . . ?
Fe1 C9 C10 C11 60.3(3) . . . . ?
C8 C9 C10 Fe1 -59.9(3) . . . . ?
C9 C10 C11 C12 -1.0(5) . . . . ?
Fe1 C10 C11 C12 59.1(3) . . . . ?
C9 C10 C11 Fe1 -60.1(3) . . . . ?
C10 C11 C12 C8 1.2(5) . . . . ?
Fe1 C11 C12 C8 60.1(3) . . . . ?
C10 C11 C12 Fe1 -58.9(3) . . . . ?
C9 C8 C12 C11 -0.9(5) . . . . ?
Fe1 C8 C12 C11 -60.2(3) . . . . ?
C9 C8 C12 Fe1 59.3(3) . . . . ?
C19 C15 C16 C17 0.3(4) . . . . ?
C14 C15 C16 C17 -175.5(3) . . . . ?
Fe2 C15 C16 C17 58.8(3) . . . . ?
C19 C15 C16 Fe2 -58.5(3) . . . . ?
C14 C15 C16 Fe2 125.7(4) . . . . ?
C15 C16 C17 C18 0.6(5) . . . . ?
Fe2 C16 C17 C18 60.3(3) . . . . ?
C15 C16 C17 Fe2 -59.7(3) . . . . ?
C16 C17 C18 C19 -1.2(5) . . . . ?
Fe2 C17 C18 C19 59.0(3) . . . . ?
C16 C17 C18 Fe2 -60.3(3) . . . . ?
C17 C18 C19 C15 1.4(5) . . . . ?
Fe2 C18 C19 C15 60.3(3) . . . . ?
C17 C18 C19 Fe2 -58.9(3) . . . . ?
C16 C15 C19 C18 -1.1(4) . . . . ?
C14 C15 C19 C18 174.7(3) . . . . ?
Fe2 C15 C19 C18 -59.8(3) . . . . ?
C16 C15 C19 Fe2 58.7(3) . . . . ?
C14 C15 C19 Fe2 -125.5(4) . . . . ?
C24 C20 C21 C22 0.1(5) . . . . ?
Fe2 C20 C21 C22 -59.5(3) . . . . ?
C24 C20 C21 Fe2 59.6(3) . . . . ?
C20 C21 C22 C23 -0.5(5) . . . . ?
Fe2 C21 C22 C23 -60.2(3) . . . . ?
C20 C21 C22 Fe2 59.7(3) . . . . ?
C21 C22 C23 C24 0.8(6) . . . . ?
Fe2 C22 C23 C24 -59.3(3) . . . . ?
C21 C22 C23 Fe2 60.1(3) . . . . ?
C22 C23 C24 C20 -0.7(5) . . . . ?
Fe2 C23 C24 C20 -60.2(3) . . . . ?
C22 C23 C24 Fe2 59.5(3) . . . . ?
C21 C20 C24 C23 0.4(5) . . . . ?
Fe2 C20 C24 C23 60.2(3) . . . . ?
C21 C20 C24 Fe2 -59.8(3) . . . . ?
C61 P2 C37 C38 166.1(2) . . . . ?
C49 P2 C37 C38 -88.8(2) . . . . ?
Cu2 P2 C37 C38 37.0(2) . . . . ?
P2 C37 C38 C39 -137.6(2) . . . . ?
C37 C38 C39 C40 146.9(3) . . . . ?
C37 C38 C39 C43 -36.4(4) . . . . ?
C37 C38 C39 Fe4 57.2(3) . . . . ?
C43 C39 C40 C41 -0.5(3) . . . . ?
C38 C39 C40 C41 176.9(3) . . . . ?
Fe4 C39 C40 C41 -59.3(2) . . . . ?
C43 C39 C40 Fe4 58.87(19) . . . . ?
C38 C39 C40 Fe4 -123.8(3) . . . . ?
C39 C40 C41 C42 0.2(4) . . . . ?
Fe4 C40 C41 C42 -59.5(2) . . . . ?
C39 C40 C41 Fe4 59.7(2) . . . . ?
C40 C41 C42 C43 0.1(4) . . . . ?
Fe4 C41 C42 C43 -59.3(2) . . . . ?
C40 C41 C42 Fe4 59.4(2) . . . . ?
C41 C42 C43 C39 -0.4(3) . . . . ?
Fe4 C42 C43 C39 -59.7(2) . . . . ?
C41 C42 C43 Fe4 59.3(2) . . . . ?
C40 C39 C43 C42 0.5(3) . . . . ?
C38 C39 C43 C42 -176.6(3) . . . . ?
Fe4 C39 C43 C42 59.3(2) . . . . ?
C40 C39 C43 Fe4 -58.7(2) . . . . ?
C38 C39 C43 Fe4 124.1(3) . . . . ?
C48 C44 C45 C46 -0.6(4) . . . . ?
Fe4 C44 C45 C46 59.5(2) . . . . ?
C48 C44 C45 Fe4 -60.1(2) . . . . ?
C44 C45 C46 C47 0.2(4) . . . . ?
Fe4 C45 C46 C47 59.3(2) . . . . ?
C44 C45 C46 Fe4 -59.1(2) . . . . ?
C45 C46 C47 C48 0.2(4) . . . . ?
Fe4 C46 C47 C48 59.4(2) . . . . ?
C45 C46 C47 Fe4 -59.3(2) . . . . ?
C45 C44 C48 C47 0.7(4) . . . . ?
Fe4 C44 C48 C47 -59.2(2) . . . . ?
C45 C44 C48 Fe4 59.9(2) . . . . ?
C46 C47 C48 C44 -0.5(4) . . . . ?
Fe4 C47 C48 C44 59.1(2) . . . . ?
C46 C47 C48 Fe4 -59.6(2) . . . . ?
C61 P2 C49 C50 -178.8(2) . . . . ?
C37 P2 C49 C50 76.3(2) . . . . ?
Cu2 P2 C49 C50 -52.3(2) . . . . ?
P2 C49 C50 C51 177.1(2) . . . . ?
C49 C50 C51 C52 32.4(4) . . . . ?
C49 C50 C51 C55 -152.8(3) . . . . ?
C49 C50 C51 Fe5 -62.6(4) . . . . ?
C55 C51 C52 C53 0.7(3) . . . . ?
C50 C51 C52 C53 176.2(3) . . . . ?
Fe5 C51 C52 C53 -58.1(2) . . . . ?
C55 C51 C52 Fe5 58.7(2) . . . . ?
C50 C51 C52 Fe5 -125.8(3) . . . . ?
C51 C52 C53 C54 -0.6(3) . . . . ?
Fe5 C52 C53 C54 -59.6(2) . . . . ?
C51 C52 C53 Fe5 59.0(2) . . . . ?
C52 C53 C54 C55 0.3(4) . . . . ?
Fe5 C53 C54 C55 -59.9(2) . . . . ?
C52 C53 C54 Fe5 60.3(2) . . . . ?
C53 C54 C55 C51 0.1(4) . . . . ?
Fe5 C54 C55 C51 -59.4(2) . . . . ?
C53 C54 C55 Fe5 59.5(2) . . . . ?
C52 C51 C55 C54 -0.5(3) . . . . ?
C50 C51 C55 C54 -176.2(3) . . . . ?
Fe5 C51 C55 C54 58.5(2) . . . . ?
C52 C51 C55 Fe5 -59.0(2) . . . . ?
C50 C51 C55 Fe5 125.3(3) . . . . ?
C60 C56 C57 C58 -0.2(3) . . . . ?
Fe5 C56 C57 C58 59.6(2) . . . . ?
C60 C56 C57 Fe5 -59.8(2) . . . . ?
C56 C57 C58 C59 0.1(3) . . . . ?
Fe5 C57 C58 C59 59.7(2) . . . . ?
C56 C57 C58 Fe5 -59.6(2) . . . . ?
C57 C58 C59 C60 0.0(4) . . . . ?
Fe5 C58 C59 C60 59.5(2) . . . . ?
C57 C58 C59 Fe5 -59.5(2) . . . . ?
C57 C56 C60 C59 0.2(4) . . . . ?
Fe5 C56 C60 C59 -59.2(2) . . . . ?
C57 C56 C60 Fe5 59.4(2) . . . . ?
C58 C59 C60 C56 -0.1(4) . . . . ?
Fe5 C59 C60 C56 59.2(2) . . . . ?
C58 C59 C60 Fe5 -59.3(2) . . . . ?
C49 P2 C61 C62 82.7(2) . . . . ?
C37 P2 C61 C62 -169.7(2) . . . . ?
Cu2 P2 C61 C62 -40.7(2) . . . . ?
P2 C61 C62 C63 -169.6(2) . . . . ?
C61 C62 C63 C67 99.0(4) . . . . ?
C61 C62 C63 C64 -72.1(4) . . . . ?
C61 C62 C63 Fe6 -166.2(2) . . . . ?
C67 C63 C64 C65 0.8(3) . . . . ?
C62 C63 C64 C65 173.4(3) . . . . ?
Fe6 C63 C64 C65 -59.2(2) . . . . ?
C67 C63 C64 Fe6 60.0(2) . . . . ?
C62 C63 C64 Fe6 -127.5(3) . . . . ?
C63 C64 C65 C66 -0.1(4) . . . . ?
Fe6 C64 C65 C66 -59.3(2) . . . . ?
C63 C64 C65 Fe6 59.2(2) . . . . ?
C64 C65 C66 C67 -0.7(4) . . . . ?
Fe6 C65 C66 C67 -59.8(2) . . . . ?
C64 C65 C66 Fe6 59.2(2) . . . . ?
C65 C66 C67 C63 1.2(4) . . . . ?
Fe6 C66 C67 C63 -58.4(2) . . . . ?
C65 C66 C67 Fe6 59.6(2) . . . . ?
C64 C63 C67 C66 -1.2(4) . . . . ?
C62 C63 C67 C66 -173.8(3) . . . . ?
Fe6 C63 C67 C66 58.4(2) . . . . ?
C64 C63 C67 Fe6 -59.6(2) . . . . ?
C62 C63 C67 Fe6 127.9(3) . . . . ?
C72 C68 C69 C70 -0.9(4) . . . . ?
Fe6 C68 C69 C70 58.8(3) . . . . ?
C72 C68 C69 Fe6 -59.7(3) . . . . ?
C68 C69 C70 C71 0.8(4) . . . . ?
Fe6 C69 C70 C71 59.6(3) . . . . ?
C68 C69 C70 Fe6 -58.9(2) . . . . ?
C69 C70 C71 C72 -0.3(4) . . . . ?
Fe6 C70 C71 C72 59.1(3) . . . . ?
C69 C70 C71 Fe6 -59.5(3) . . . . ?
C69 C68 C72 C71 0.7(4) . . . . ?
Fe6 C68 C72 C71 -58.9(3) . . . . ?
C69 C68 C72 Fe6 59.6(2) . . . . ?
C70 C71 C72 C68 -0.2(4) . . . . ?
Fe6 C71 C72 C68 58.7(3) . . . . ?
C70 C71 C72 Fe6 -58.9(3) . . . . ?
C85 P3 C73 C74 83.5(3) . . . . ?
C97 P3 C73 C74 -168.2(2) . . . . ?
Cu3 P3 C73 C74 -43.8(3) . . . . ?
P3 C73 C74 C75 175.7(2) . . . . ?
C73 C74 C75 C76 175.8(3) . . . . ?
C73 C74 C75 C79 -9.5(5) . . . . ?
C73 C74 C75 Fe7 84.5(4) . . . . ?
C79 C75 C76 C77 -0.6(3) . . . . ?
C74 C75 C76 C77 175.1(3) . . . . ?
Fe7 C75 C76 C77 -59.4(2) . . . . ?
C79 C75 C76 Fe7 58.8(2) . . . . ?
C74 C75 C76 Fe7 -125.6(3) . . . . ?
C75 C76 C77 C78 1.4(3) . . . . ?
Fe7 C76 C77 C78 -58.8(2) . . . . ?
C75 C76 C77 Fe7 60.3(2) . . . . ?
C76 C77 C78 C79 -1.7(3) . . . . ?
Fe7 C77 C78 C79 -61.0(2) . . . . ?
C76 C77 C78 Fe7 59.3(2) . . . . ?
C77 C78 C79 C75 1.3(3) . . . . ?
Fe7 C78 C79 C75 -59.4(2) . . . . ?
C77 C78 C79 Fe7 60.8(2) . . . . ?
C76 C75 C79 C78 -0.5(3) . . . . ?
C74 C75 C79 C78 -175.9(3) . . . . ?
Fe7 C75 C79 C78 58.5(2) . . . . ?
C76 C75 C79 Fe7 -59.0(2) . . . . ?
C74 C75 C79 Fe7 125.6(3) . . . . ?
C84 C80 C81 C82 0.5(3) . . . . ?
Fe7 C80 C81 C82 59.1(2) . . . . ?
C84 C80 C81 Fe7 -58.6(2) . . . . ?
C80 C81 C82 C83 0.2(3) . . . . ?
Fe7 C81 C82 C83 59.2(2) . . . . ?
C80 C81 C82 Fe7 -59.1(2) . . . . ?
C81 C82 C83 C84 -0.7(4) . . . . ?
Fe7 C82 C83 C84 58.8(2) . . . . ?
C81 C82 C83 Fe7 -59.5(2) . . . . ?
C81 C80 C84 C83 -0.9(4) . . . . ?
Fe7 C80 C84 C83 -59.8(2) . . . . ?
C81 C80 C84 Fe7 58.9(2) . . . . ?
C82 C83 C84 C80 1.0(4) . . . . ?
Fe7 C83 C84 C80 60.2(2) . . . . ?
C82 C83 C84 Fe7 -59.2(2) . . . . ?
C97 P3 C85 C86 66.5(2) . . . . ?
C73 P3 C85 C86 170.1(2) . . . . ?
Cu3 P3 C85 C86 -60.4(2) . . . . ?
P3 C85 C86 C87 154.7(2) . . . . ?
C85 C86 C87 C88 -99.6(3) . . . . ?
C85 C86 C87 C91 78.0(4) . . . . ?
C85 C86 C87 Fe8 169.7(2) . . . . ?
C91 C87 C88 C89 0.1(3) . . . . ?
C86 C87 C88 C89 178.1(3) . . . . ?
Fe8 C87 C88 C89 -59.1(2) . . . . ?
C91 C87 C88 Fe8 59.2(2) . . . . ?
C86 C87 C88 Fe8 -122.8(3) . . . . ?
C87 C88 C89 C90 0.1(3) . . . . ?
Fe8 C88 C89 C90 -59.3(2) . . . . ?
C87 C88 C89 Fe8 59.4(2) . . . . ?
C88 C89 C90 C91 -0.3(3) . . . . ?
Fe8 C89 C90 C91 -60.1(2) . . . . ?
C88 C89 C90 Fe8 59.8(2) . . . . ?
C89 C90 C91 C87 0.3(3) . . . . ?
Fe8 C90 C91 C87 -59.5(2) . . . . ?
C89 C90 C91 Fe8 59.9(2) . . . . ?
C88 C87 C91 C90 -0.3(3) . . . . ?
C86 C87 C91 C90 -178.2(3) . . . . ?
Fe8 C87 C91 C90 59.0(2) . . . . ?
C88 C87 C91 Fe8 -59.24(19) . . . . ?
C86 C87 C91 Fe8 122.8(3) . . . . ?
C96 C92 C93 C94 0.5(4) . . . . ?
Fe8 C92 C93 C94 59.8(2) . . . . ?
C96 C92 C93 Fe8 -59.3(2) . . . . ?
C92 C93 C94 C95 -0.1(4) . . . . ?
Fe8 C93 C94 C95 59.7(2) . . . . ?
C92 C93 C94 Fe8 -59.8(2) . . . . ?
C93 C94 C95 C96 -0.3(4) . . . . ?
Fe8 C94 C95 C96 59.2(2) . . . . ?
C93 C94 C95 Fe8 -59.5(2) . . . . ?
C93 C92 C96 C95 -0.7(4) . . . . ?
Fe8 C92 C96 C95 -60.3(2) . . . . ?
C93 C92 C96 Fe8 59.6(2) . . . . ?
C94 C95 C96 C92 0.6(4) . . . . ?
Fe8 C95 C96 C92 60.2(2) . . . . ?
C94 C95 C96 Fe8 -59.6(2) . . . . ?
C85 P3 C97 C98 -165.19(18) . . . . ?
C73 P3 C97 C98 88.0(2) . . . . ?
Cu3 P3 C97 C98 -38.6(2) . . . . ?
P3 C97 C98 C99 -175.64(19) . . . . ?
C97 C98 C99 C103 174.0(2) . . . . ?
C97 C98 C99 C100 -9.7(4) . . . . ?
C97 C98 C99 Fe9 82.8(3) . . . . ?
C103 C99 C100 C101 -0.4(3) . . . . ?
C98 C99 C100 C101 -177.3(2) . . . . ?
Fe9 C99 C100 C101 59.08(19) . . . . ?
C103 C99 C100 Fe9 -59.51(18) . . . . ?
C98 C99 C100 Fe9 123.6(3) . . . . ?
C99 C100 C101 C102 0.0(3) . . . . ?
Fe9 C100 C101 C102 59.25(19) . . . . ?
C99 C100 C101 Fe9 -59.28(19) . . . . ?
C100 C101 C102 C103 0.5(3) . . . . ?
Fe9 C101 C102 C103 59.85(18) . . . . ?
C100 C101 C102 Fe9 -59.37(19) . . . . ?
C101 C102 C103 C99 -0.7(3) . . . . ?
Fe9 C102 C103 C99 58.79(18) . . . . ?
C101 C102 C103 Fe9 -59.54(18) . . . . ?
C100 C99 C103 C102 0.7(3) . . . . ?
C98 C99 C103 C102 177.7(2) . . . . ?
Fe9 C99 C103 C102 -58.63(18) . . . . ?
C100 C99 C103 Fe9 59.37(18) . . . . ?
C98 C99 C103 Fe9 -123.7(3) . . . . ?
C108 C104 C105 C106 0.2(3) . . . . ?
Fe9 C104 C105 C106 -59.0(2) . . . . ?
C108 C104 C105 Fe9 59.17(19) . . . . ?
C104 C105 C106 C107 -0.4(3) . . . . ?
Fe9 C105 C106 C107 -59.23(19) . . . . ?
C104 C105 C106 Fe9 58.8(2) . . . . ?
C105 C106 C107 C108 0.4(3) . . . . ?
Fe9 C106 C107 C108 -58.88(19) . . . . ?
C105 C106 C107 Fe9 59.3(2) . . . . ?
C106 C107 C108 C104 -0.3(3) . . . . ?
Fe9 C107 C108 C104 -59.58(19) . . . . ?
C106 C107 C108 Fe9 59.3(2) . . . . ?
C105 C104 C108 C107 0.1(3) . . . . ?
Fe9 C104 C108 C107 59.7(2) . . . . ?
C105 C104 C108 Fe9 -59.6(2) . . . . ?
C133 P4 C109 C110 81.8(2) . . . . ?
C121 P4 C109 C110 -170.7(2) . . . . ?
Cu4 P4 C109 C110 -42.9(2) . . . . ?
P4 C109 C110 C111 171.7(2) . . . . ?
C109 C110 C111 C112 110.3(3) . . . . ?
C109 C110 C111 C115 -68.1(4) . . . . ?
C109 C110 C111 Fe10 -157.0(2) . . . . ?
C115 C111 C112 C113 -0.4(3) . . . . ?
C110 C111 C112 C113 -179.0(3) . . . . ?
Fe10 C111 C112 C113 58.9(2) . . . . ?
C115 C111 C112 Fe10 -59.3(2) . . . . ?
C110 C111 C112 Fe10 122.1(3) . . . . ?
C111 C112 C113 C114 -0.3(4) . . . . ?
Fe10 C112 C113 C114 59.2(2) . . . . ?
C111 C112 C113 Fe10 -59.5(2) . . . . ?
C112 C113 C114 C115 1.0(4) . . . . ?
Fe10 C113 C114 C115 60.4(2) . . . . ?
C112 C113 C114 Fe10 -59.4(2) . . . . ?
C113 C114 C115 C111 -1.2(4) . . . . ?
Fe10 C114 C115 C111 58.7(2) . . . . ?
C113 C114 C115 Fe10 -59.9(2) . . . . ?
C112 C111 C115 C114 1.0(3) . . . . ?
C110 C111 C115 C114 179.7(3) . . . . ?
Fe10 C111 C115 C114 -58.5(2) . . . . ?
C112 C111 C115 Fe10 59.5(2) . . . . ?
C110 C111 C115 Fe10 -121.8(3) . . . . ?
C120 C116 C117 C118 -0.6(3) . . . . ?
Fe10 C116 C117 C118 59.4(2) . . . . ?
C120 C116 C117 Fe10 -60.0(2) . . . . ?
C116 C117 C118 C119 0.4(3) . . . . ?
Fe10 C117 C118 C119 59.6(2) . . . . ?
C116 C117 C118 Fe10 -59.2(2) . . . . ?
C117 C118 C119 C120 0.0(3) . . . . ?
Fe10 C118 C119 C120 59.0(2) . . . . ?
C117 C118 C119 Fe10 -59.0(2) . . . . ?
C117 C116 C120 C119 0.6(3) . . . . ?
Fe10 C116 C120 C119 -59.2(2) . . . . ?
C117 C116 C120 Fe10 59.8(2) . . . . ?
C118 C119 C120 C116 -0.4(3) . . . . ?
Fe10 C119 C120 C116 58.8(2) . . . . ?
C118 C119 C120 Fe10 -59.2(2) . . . . ?
C133 P4 C121 C122 -95.7(2) . . . . ?
C109 P4 C121 C122 160.2(2) . . . . ?
Cu4 P4 C121 C122 32.8(2) . . . . ?
P4 C121 C122 C123 -172.8(2) . . . . ?
C121 C122 C123 C127 58.3(4) . . . . ?
C121 C122 C123 C124 -119.2(3) . . . . ?
C121 C122 C123 Fe11 148.6(2) . . . . ?
C127 C123 C124 C125 0.6(4) . . . . ?
C122 C123 C124 C125 178.5(3) . . . . ?
Fe11 C123 C124 C125 -59.1(2) . . . . ?
C127 C123 C124 Fe11 59.6(2) . . . . ?
C122 C123 C124 Fe11 -122.5(3) . . . . ?
C123 C124 C125 C126 -0.3(4) . . . . ?
Fe11 C124 C125 C126 -59.2(3) . . . . ?
C123 C124 C125 Fe11 58.9(2) . . . . ?
C124 C125 C126 C127 0.0(4) . . . . ?
Fe11 C125 C126 C127 -59.3(3) . . . . ?
C124 C125 C126 Fe11 59.3(2) . . . . ?
C124 C123 C127 C126 -0.6(4) . . . . ?
C122 C123 C127 C126 -178.5(3) . . . . ?
Fe11 C123 C127 C126 59.3(3) . . . . ?
C124 C123 C127 Fe11 -59.9(2) . . . . ?
C122 C123 C127 Fe11 122.2(3) . . . . ?
C125 C126 C127 C123 0.4(4) . . . . ?
Fe11 C126 C127 C123 -59.4(2) . . . . ?
C125 C126 C127 Fe11 59.7(3) . . . . ?
C132 C128 C129 C130 -1.2(4) . . . . ?
Fe11 C128 C129 C130 -59.7(3) . . . . ?
C132 C128 C129 Fe11 58.5(3) . . . . ?
C128 C129 C130 C131 1.4(5) . . . . ?
Fe11 C129 C130 C131 -59.0(3) . . . . ?
C128 C129 C130 Fe11 60.4(3) . . . . ?
C129 C130 C131 C132 -1.1(5) . . . . ?
Fe11 C130 C131 C132 -60.3(3) . . . . ?
C129 C130 C131 Fe11 59.2(3) . . . . ?
C130 C131 C132 C128 0.3(5) . . . . ?
Fe11 C131 C132 C128 -59.6(3) . . . . ?
C130 C131 C132 Fe11 59.9(3) . . . . ?
C129 C128 C132 C131 0.6(5) . . . . ?
Fe11 C128 C132 C131 59.6(3) . . . . ?
C129 C128 C132 Fe11 -59.0(3) . . . . ?
C109 P4 C133 C134 -169.8(2) . . . . ?
C121 P4 C133 C134 86.1(2) . . . . ?
Cu4 P4 C133 C134 -43.9(2) . . . . ?
P4 C133 C134 C135 174.96(19) . . . . ?
C133 C134 C135 C136 -62.1(4) . . . . ?
C133 C134 C135 C139 114.4(3) . . . . ?
C133 C134 C135 Fe12 -153.1(2) . . . . ?
C139 C135 C136 C137 0.2(3) . . . . ?
C134 C135 C136 C137 177.3(3) . . . . ?
Fe12 C135 C136 C137 -59.2(2) . . . . ?
C139 C135 C136 Fe12 59.5(2) . . . . ?
C134 C135 C136 Fe12 -123.4(3) . . . . ?
C135 C136 C137 C138 0.2(4) . . . . ?
Fe12 C136 C137 C138 -59.6(2) . . . . ?
C135 C136 C137 Fe12 59.7(2) . . . . ?
C136 C137 C138 C139 -0.5(4) . . . . ?
Fe12 C137 C138 C139 -59.9(2) . . . . ?
C136 C137 C138 Fe12 59.4(2) . . . . ?
C137 C138 C139 C135 0.6(4) . . . . ?
Fe12 C138 C139 C135 -59.0(2) . . . . ?
C137 C138 C139 Fe12 59.6(2) . . . . ?
C136 C135 C139 C138 -0.5(3) . . . . ?
C134 C135 C139 C138 -177.6(3) . . . . ?
Fe12 C135 C139 C138 58.7(2) . . . . ?
C136 C135 C139 Fe12 -59.2(2) . . . . ?
C134 C135 C139 Fe12 123.7(3) . . . . ?
C144 C140 C141 C142 -0.3(4) . . . . ?
Fe12 C140 C141 C142 59.9(2) . . . . ?
C144 C140 C141 Fe12 -60.2(2) . . . . ?
C140 C141 C142 C143 -0.2(4) . . . . ?
Fe12 C141 C142 C143 59.4(3) . . . . ?
C140 C141 C142 Fe12 -59.5(2) . . . . ?
C141 C142 C143 C144 0.5(4) . . . . ?
Fe12 C142 C143 C144 59.8(3) . . . . ?
C141 C142 C143 Fe12 -59.3(3) . . . . ?
C141 C140 C144 C143 0.6(4) . . . . ?
Fe12 C140 C144 C143 -59.3(2) . . . . ?
C141 C140 C144 Fe12 59.9(2) . . . . ?
C142 C143 C144 C140 -0.7(4) . . . . ?
Fe12 C143 C144 C140 59.2(2) . . . . ?
C142 C143 C144 Fe12 -59.9(3) . . . . ?
C157 P5 C145 C146 88.4(2) . . . . ?
C169 P5 C145 C146 -166.8(2) . . . . ?
Cu5 P5 C145 C146 -41.4(2) . . . . ?
P5 C145 C146 C147 -176.7(2) . . . . ?
C145 C146 C147 C148 -17.9(4) . . . . ?
C145 C146 C147 C151 164.3(3) . . . . ?
C145 C146 C147 Fe13 75.5(3) . . . . ?
C151 C147 C148 C149 0.1(3) . . . . ?
C146 C147 C148 C149 -178.0(3) . . . . ?
Fe13 C147 C148 C149 58.7(2) . . . . ?
C151 C147 C148 Fe13 -58.6(2) . . . . ?
C146 C147 C148 Fe13 123.3(3) . . . . ?
C147 C148 C149 C150 0.3(3) . . . . ?
Fe13 C148 C149 C150 59.5(2) . . . . ?
C147 C148 C149 Fe13 -59.2(2) . . . . ?
C148 C149 C150 C151 -0.5(4) . . . . ?
Fe13 C149 C150 C151 59.1(2) . . . . ?
C148 C149 C150 Fe13 -59.7(2) . . . . ?
C149 C150 C151 C147 0.6(4) . . . . ?
Fe13 C150 C151 C147 59.8(2) . . . . ?
C149 C150 C151 Fe13 -59.2(2) . . . . ?
C148 C147 C151 C150 -0.4(3) . . . . ?
C146 C147 C151 C150 177.7(3) . . . . ?
Fe13 C147 C151 C150 -59.5(2) . . . . ?
C148 C147 C151 Fe13 59.1(2) . . . . ?
C146 C147 C151 Fe13 -122.7(3) . . . . ?
C156 C152 C153 C154 -0.2(4) . . . . ?
Fe13 C152 C153 C154 -59.6(2) . . . . ?
C156 C152 C153 Fe13 59.4(2) . . . . ?
C152 C153 C154 C155 -0.2(4) . . . . ?
Fe13 C153 C154 C155 -60.4(2) . . . . ?
C152 C153 C154 Fe13 60.1(2) . . . . ?
C153 C154 C155 C156 0.5(4) . . . . ?
Fe13 C154 C155 C156 -59.3(2) . . . . ?
C153 C154 C155 Fe13 59.8(2) . . . . ?
C154 C155 C156 C152 -0.7(4) . . . . ?
Fe13 C155 C156 C152 -59.5(2) . . . . ?
C154 C155 C156 Fe13 58.8(2) . . . . ?
C153 C152 C156 C155 0.5(4) . . . . ?
Fe13 C152 C156 C155 59.5(2) . . . . ?
C153 C152 C156 Fe13 -59.0(2) . . . . ?
C169 P5 C157 C158 90.8(2) . . . . ?
C145 P5 C157 C158 -164.3(2) . . . . ?
Cu5 P5 C157 C158 -35.7(3) . . . . ?
P5 C157 C158 C159 -61.6(3) . . . . ?
C157 C158 C159 C163 -75.4(4) . . . . ?
C157 C158 C159 C160 107.4(3) . . . . ?
C157 C158 C159 Fe14 -163.9(2) . . . . ?
C163 C159 C160 C161 -1.1(3) . . . . ?
C158 C159 C160 C161 176.6(3) . . . . ?
Fe14 C159 C160 C161 58.5(2) . . . . ?
C163 C159 C160 Fe14 -59.6(2) . . . . ?
C158 C159 C160 Fe14 118.1(3) . . . . ?
C159 C160 C161 C162 0.6(3) . . . . ?
Fe14 C160 C161 C162 59.1(2) . . . . ?
C159 C160 C161 Fe14 -58.5(2) . . . . ?
C160 C161 C162 C163 0.1(4) . . . . ?
Fe14 C161 C162 C163 59.4(2) . . . . ?
C160 C161 C162 Fe14 -59.2(2) . . . . ?
C160 C159 C163 C162 1.2(3) . . . . ?
C158 C159 C163 C162 -176.4(3) . . . . ?
Fe14 C159 C163 C162 -58.9(2) . . . . ?
C160 C159 C163 Fe14 60.1(2) . . . . ?
C158 C159 C163 Fe14 -117.6(3) . . . . ?
C161 C162 C163 C159 -0.8(4) . . . . ?
Fe14 C162 C163 C159 59.1(2) . . . . ?
C161 C162 C163 Fe14 -59.9(2) . . . . ?
C168 C164 C165 C166 -0.1(4) . . . . ?
Fe14 C164 C165 C166 -59.5(2) . . . . ?
C168 C164 C165 Fe14 59.4(2) . . . . ?
C164 C165 C166 C167 0.4(4) . . . . ?
Fe14 C165 C166 C167 -59.3(2) . . . . ?
C164 C165 C166 Fe14 59.7(2) . . . . ?
C165 C166 C167 C168 -0.6(4) . . . . ?
Fe14 C166 C167 C168 -59.9(3) . . . . ?
C165 C166 C167 Fe14 59.4(2) . . . . ?
C165 C164 C168 C167 -0.3(4) . . . . ?
Fe14 C164 C168 C167 59.1(3) . . . . ?
C165 C164 C168 Fe14 -59.4(2) . . . . ?
C166 C167 C168 C164 0.5(4) . . . . ?
Fe14 C167 C168 C164 -59.4(3) . . . . ?
C166 C167 C168 Fe14 59.9(2) . . . . ?
C157 P5 C169 C170 172.76(18) . . . . ?
C145 P5 C169 C170 69.5(2) . . . . ?
Cu5 P5 C169 C170 -57.7(2) . . . . ?
P5 C169 C170 C171 -175.07(18) . . . . ?
C169 C170 C171 C172 -162.9(2) . . . . ?
C169 C170 C171 C175 19.1(4) . . . . ?
C169 C170 C171 Fe15 -73.2(3) . . . . ?
C175 C171 C172 C173 -0.7(3) . . . . ?
C170 C171 C172 C173 -179.1(3) . . . . ?
Fe15 C171 C172 C173 59.0(2) . . . . ?
C175 C171 C172 Fe15 -59.64(19) . . . . ?
C170 C171 C172 Fe15 122.0(3) . . . . ?
C171 C172 C173 C174 0.3(3) . . . . ?
Fe15 C172 C173 C174 59.2(2) . . . . ?
C171 C172 C173 Fe15 -58.95(19) . . . . ?
C172 C173 C174 C175 0.2(3) . . . . ?
Fe15 C173 C174 C175 59.3(2) . . . . ?
C172 C173 C174 Fe15 -59.1(2) . . . . ?
C172 C171 C175 C174 0.8(3) . . . . ?
C170 C171 C175 C174 179.1(3) . . . . ?
Fe15 C171 C175 C174 -58.79(19) . . . . ?
C172 C171 C175 Fe15 59.61(19) . . . . ?
C170 C171 C175 Fe15 -122.1(3) . . . . ?
C173 C174 C175 C171 -0.7(3) . . . . ?
Fe15 C174 C175 C171 58.95(19) . . . . ?
C173 C174 C175 Fe15 -59.6(2) . . . . ?
C180 C176 C177 C178 1.2(4) . . . . ?
Fe15 C176 C177 C178 -59.7(3) . . . . ?
C180 C176 C177 Fe15 60.9(2) . . . . ?
C176 C177 C178 C179 -0.6(5) . . . . ?
Fe15 C177 C178 C179 -60.2(3) . . . . ?
C176 C177 C178 Fe15 59.5(3) . . . . ?
C177 C178 C179 C180 -0.3(5) . . . . ?
Fe15 C178 C179 C180 -59.8(3) . . . . ?
C177 C178 C179 Fe15 59.5(3) . . . . ?
C178 C179 C180 C176 1.1(5) . . . . ?
Fe15 C179 C180 C176 -58.7(2) . . . . ?
C178 C179 C180 Fe15 59.8(3) . . . . ?
C177 C176 C180 C179 -1.4(4) . . . . ?
Fe15 C176 C180 C179 59.0(3) . . . . ?
C177 C176 C180 Fe15 -60.4(2) . . . . ?
C193 P6 C181 C182 -71.6(2) . . . . ?
C205 P6 C181 C182 -177.1(2) . . . . ?
Cu6 P6 C181 C182 58.7(2) . . . . ?
P6 C181 C182 C183 -159.5(2) . . . . ?
C181 C182 C183 C184 162.1(3) . . . . ?
C181 C182 C183 C187 -21.0(4) . . . . ?
C181 C182 C183 Fe16 71.8(3) . . . . ?
C187 C183 C184 C185 0.1(3) . . . . ?
C182 C183 C184 C185 177.5(3) . . . . ?
Fe16 C183 C184 C185 -59.1(2) . . . . ?
C187 C183 C184 Fe16 59.2(2) . . . . ?
C182 C183 C184 Fe16 -123.4(3) . . . . ?
C183 C184 C185 C186 -0.1(4) . . . . ?
Fe16 C184 C185 C186 -59.2(2) . . . . ?
C183 C184 C185 Fe16 59.1(2) . . . . ?
C184 C185 C186 C187 0.0(4) . . . . ?
Fe16 C185 C186 C187 -59.1(2) . . . . ?
C184 C185 C186 Fe16 59.2(2) . . . . ?
C185 C186 C187 C183 0.0(4) . . . . ?
Fe16 C186 C187 C183 -59.3(2) . . . . ?
C185 C186 C187 Fe16 59.3(2) . . . . ?
C184 C183 C187 C186 -0.1(3) . . . . ?
C182 C183 C187 C186 -177.4(3) . . . . ?
Fe16 C183 C187 C186 59.3(2) . . . . ?
C184 C183 C187 Fe16 -59.3(2) . . . . ?
C182 C183 C187 Fe16 123.3(3) . . . . ?
C192 C188 C189 C190 0.4(4) . . . . ?
Fe16 C188 C189 C190 59.9(2) . . . . ?
C192 C188 C189 Fe16 -59.5(2) . . . . ?
C188 C189 C190 C191 -0.3(4) . . . . ?
Fe16 C189 C190 C191 60.1(2) . . . . ?
C188 C189 C190 Fe16 -60.4(2) . . . . ?
C189 C190 C191 C192 0.1(4) . . . . ?
Fe16 C190 C191 C192 59.7(2) . . . . ?
C189 C190 C191 Fe16 -59.6(2) . . . . ?
C189 C188 C192 C191 -0.4(4) . . . . ?
Fe16 C188 C192 C191 -59.4(2) . . . . ?
C189 C188 C192 Fe16 59.0(2) . . . . ?
C190 C191 C192 C188 0.2(4) . . . . ?
Fe16 C191 C192 C188 59.3(2) . . . . ?
C190 C191 C192 Fe16 -59.2(2) . . . . ?
C181 P6 C193 C194 -177.88(18) . . . . ?
C205 P6 C193 C194 -72.5(2) . . . . ?
Cu6 P6 C193 C194 52.2(2) . . . . ?
P6 C193 C194 C195 153.7(2) . . . . ?
C193 C194 C195 C199 135.7(3) . . . . ?
C193 C194 C195 C196 -52.2(4) . . . . ?
C193 C194 C195 Fe17 41.0(4) . . . . ?
C199 C195 C196 C197 0.8(3) . . . . ?
C194 C195 C196 C197 -172.5(3) . . . . ?
Fe17 C195 C196 C197 59.8(2) . . . . ?
C199 C195 C196 Fe17 -58.98(19) . . . . ?
C194 C195 C196 Fe17 127.7(3) . . . . ?
C195 C196 C197 C198 -1.3(3) . . . . ?
Fe17 C196 C197 C198 59.0(2) . . . . ?
C195 C196 C197 Fe17 -60.24(19) . . . . ?
C196 C197 C198 C199 1.2(3) . . . . ?
Fe17 C197 C198 C199 60.12(19) . . . . ?
C196 C197 C198 Fe17 -58.9(2) . . . . ?
C196 C195 C199 C198 -0.1(3) . . . . ?
C194 C195 C199 C198 173.3(3) . . . . ?
Fe17 C195 C199 C198 -58.42(19) . . . . ?
C196 C195 C199 Fe17 58.35(18) . . . . ?
C194 C195 C199 Fe17 -128.3(3) . . . . ?
C197 C198 C199 C195 -0.7(3) . . . . ?
Fe17 C198 C199 C195 59.07(19) . . . . ?
C197 C198 C199 Fe17 -59.77(19) . . . . ?
C204 C200 C201 C202 0.5(3) . . . . ?
Fe17 C200 C201 C202 60.0(2) . . . . ?
C204 C200 C201 Fe17 -59.5(2) . . . . ?
C200 C201 C202 C203 -0.6(3) . . . . ?
Fe17 C201 C202 C203 59.1(2) . . . . ?
C200 C201 C202 Fe17 -59.7(2) . . . . ?
C201 C202 C203 C204 0.5(3) . . . . ?
Fe17 C202 C203 C204 59.3(2) . . . . ?
C201 C202 C203 Fe17 -58.8(2) . . . . ?
C201 C200 C204 C203 -0.2(3) . . . . ?
Fe17 C200 C204 C203 -59.6(2) . . . . ?
C201 C200 C204 Fe17 59.4(2) . . . . ?
C202 C203 C204 C200 -0.2(3) . . . . ?
Fe17 C203 C204 C200 59.3(2) . . . . ?
C202 C203 C204 Fe17 -59.5(2) . . . . ?
C181 P6 C205 C206 -54.5(2) . . . . ?
C193 P6 C205 C206 -162.1(2) . . . . ?
Cu6 P6 C205 C206 71.2(2) . . . . ?
P6 C205 C206 C207 -152.4(2) . . . . ?
C205 C206 C207 C208 80.5(4) . . . . ?
C205 C206 C207 C211 -102.1(3) . . . . ?
C205 C206 C207 Fe18 168.09(19) . . . . ?
C211 C207 C208 C209 -0.6(3) . . . . ?
C206 C207 C208 C209 177.2(3) . . . . ?
Fe18 C207 C208 C209 59.6(2) . . . . ?
C211 C207 C208 Fe18 -60.2(2) . . . . ?
C206 C207 C208 Fe18 117.6(3) . . . . ?
C207 C208 C209 C210 0.2(3) . . . . ?
Fe18 C208 C209 C210 59.2(2) . . . . ?
C207 C208 C209 Fe18 -59.0(2) . . . . ?
C208 C209 C210 C211 0.3(3) . . . . ?
Fe18 C209 C210 C211 58.8(2) . . . . ?
C208 C209 C210 Fe18 -58.5(2) . . . . ?
C208 C207 C211 C210 0.8(3) . . . . ?
C206 C207 C211 C210 -176.9(3) . . . . ?
Fe18 C207 C211 C210 -59.1(2) . . . . ?
C208 C207 C211 Fe18 59.9(2) . . . . ?
C206 C207 C211 Fe18 -117.8(3) . . . . ?
C209 C210 C211 C207 -0.7(3) . . . . ?
Fe18 C210 C211 C207 58.5(2) . . . . ?
C209 C210 C211 Fe18 -59.2(2) . . . . ?
C216 C212 C213 C214 -0.8(4) . . . . ?
Fe18 C212 C213 C214 -60.2(2) . . . . ?
C216 C212 C213 Fe18 59.4(2) . . . . ?
C212 C213 C214 C215 0.8(4) . . . . ?
Fe18 C213 C214 C215 -59.1(2) . . . . ?
C212 C213 C214 Fe18 59.9(2) . . . . ?
C213 C214 C215 C216 -0.6(4) . . . . ?
Fe18 C214 C215 C216 -59.3(2) . . . . ?
C213 C214 C215 Fe18 58.7(2) . . . . ?
C214 C215 C216 C212 0.1(4) . . . . ?
Fe18 C215 C216 C212 -59.1(2) . . . . ?
C214 C215 C216 Fe18 59.2(2) . . . . ?
C213 C212 C216 C215 0.4(4) . . . . ?
Fe18 C212 C216 C215 59.6(2) . . . . ?
C213 C212 C216 Fe18 -59.2(2) . . . . ?
C229 P7 C217 C218 -165.7(2) . . . . ?
C241 P7 C217 C218 89.6(2) . . . . ?
Cu7 P7 C217 C218 -40.4(2) . . . . ?
P7 C217 C218 C219 -69.3(3) . . . . ?
C217 C218 C219 C220 -75.3(4) . . . . ?
C217 C218 C219 C223 101.8(3) . . . . ?
C217 C218 C219 Fe19 -165.8(2) . . . . ?
C223 C219 C220 C221 0.1(3) . . . . ?
C218 C219 C220 C221 177.7(3) . . . . ?
Fe19 C219 C220 C221 -59.4(2) . . . . ?
C223 C219 C220 Fe19 59.5(2) . . . . ?
C218 C219 C220 Fe19 -122.9(3) . . . . ?
C219 C220 C221 C222 -0.4(3) . . . . ?
Fe19 C220 C221 C222 -59.9(2) . . . . ?
C219 C220 C221 Fe19 59.5(2) . . . . ?
C220 C221 C222 C223 0.6(3) . . . . ?
Fe19 C221 C222 C223 -58.7(2) . . . . ?
C220 C221 C222 Fe19 59.2(2) . . . . ?
C221 C222 C223 C219 -0.5(3) . . . . ?
Fe19 C222 C223 C219 -59.2(2) . . . . ?
C221 C222 C223 Fe19 58.8(2) . . . . ?
C220 C219 C223 C222 0.2(3) . . . . ?
C218 C219 C223 C222 -177.3(3) . . . . ?
Fe19 C219 C223 C222 59.6(2) . . . . ?
C220 C219 C223 Fe19 -59.3(2) . . . . ?
C218 C219 C223 Fe19 123.1(3) . . . . ?
C228 C224 C225 C226 -0.2(4) . . . . ?
Fe19 C224 C225 C226 59.5(2) . . . . ?
C228 C224 C225 Fe19 -59.7(2) . . . . ?
C224 C225 C226 C227 0.4(4) . . . . ?
Fe19 C225 C226 C227 59.8(2) . . . . ?
C224 C225 C226 Fe19 -59.4(2) . . . . ?
C225 C226 C227 C228 -0.4(3) . . . . ?
Fe19 C226 C227 C228 58.9(2) . . . . ?
C225 C226 C227 Fe19 -59.4(2) . . . . ?
C225 C224 C228 C227 -0.1(3) . . . . ?
Fe19 C224 C228 C227 -59.6(2) . . . . ?
C225 C224 C228 Fe19 59.5(2) . . . . ?
C226 C227 C228 C224 0.3(3) . . . . ?
Fe19 C227 C228 C224 59.2(2) . . . . ?
C226 C227 C228 Fe19 -58.9(2) . . . . ?
C217 P7 C229 C230 68.4(2) . . . . ?
C241 P7 C229 C230 175.2(2) . . . . ?
Cu7 P7 C229 C230 -59.5(2) . . . . ?
P7 C229 C230 C231 177.9(2) . . . . ?
C229 C230 C231 C235 -112.3(3) . . . . ?
C229 C230 C231 C232 66.5(3) . . . . ?
C229 C230 C231 Fe20 156.4(2) . . . . ?
C235 C231 C232 C233 -0.3(3) . . . . ?
C230 C231 C232 C233 -179.2(2) . . . . ?
Fe20 C231 C232 C233 59.11(18) . . . . ?
C235 C231 C232 Fe20 -59.43(18) . . . . ?
C230 C231 C232 Fe20 121.7(3) . . . . ?
C231 C232 C233 C234 -0.1(3) . . . . ?
Fe20 C232 C233 C234 59.42(19) . . . . ?
C231 C232 C233 Fe20 -59.54(18) . . . . ?
C232 C233 C234 C235 0.5(3) . . . . ?
Fe20 C233 C234 C235 59.71(19) . . . . ?
C232 C233 C234 Fe20 -59.20(19) . . . . ?
C233 C234 C235 C231 -0.7(3) . . . . ?
Fe20 C234 C235 C231 58.67(18) . . . . ?
C233 C234 C235 Fe20 -59.39(19) . . . . ?
C232 C231 C235 C234 0.6(3) . . . . ?
C230 C231 C235 C234 179.6(2) . . . . ?
Fe20 C231 C235 C234 -58.37(18) . . . . ?
C232 C231 C235 Fe20 59.02(17) . . . . ?
C230 C231 C235 Fe20 -122.1(3) . . . . ?
C240 C236 C237 C238 -0.1(3) . . . . ?
Fe20 C236 C237 C238 59.08(19) . . . . ?
C240 C236 C237 Fe20 -59.22(19) . . . . ?
C236 C237 C238 C239 0.4(3) . . . . ?
Fe20 C237 C238 C239 59.77(18) . . . . ?
C236 C237 C238 Fe20 -59.41(19) . . . . ?
C237 C238 C239 C240 -0.4(3) . . . . ?
Fe20 C238 C239 C240 59.24(18) . . . . ?
C237 C238 C239 Fe20 -59.69(19) . . . . ?
C237 C236 C240 C239 -0.1(3) . . . . ?
Fe20 C236 C240 C239 -59.51(19) . . . . ?
C237 C236 C240 Fe20 59.37(19) . . . . ?
C238 C239 C240 C236 0.4(3) . . . . ?
Fe20 C239 C240 C236 59.57(19) . . . . ?
C238 C239 C240 Fe20 -59.21(19) . . . . ?
C229 P7 C241 C242 84.0(2) . . . . ?
C217 P7 C241 C242 -170.6(2) . . . . ?
Cu7 P7 C241 C242 -39.6(2) . . . . ?
P7 C241 C242 C243 -173.2(2) . . . . ?
C241 C242 C243 C247 102.3(4) . . . . ?
C241 C242 C243 C244 -80.0(4) . . . . ?
C241 C242 C243 Fe21 -169.0(2) . . . . ?
C247 C243 C244 C245 0.9(4) . . . . ?
C242 C243 C244 C245 -177.2(3) . . . . ?
Fe21 C243 C244 C245 -59.1(2) . . . . ?
C247 C243 C244 Fe21 60.0(2) . . . . ?
C242 C243 C244 Fe21 -118.0(3) . . . . ?
C243 C244 C245 C246 -0.3(4) . . . . ?
Fe21 C244 C245 C246 -59.0(2) . . . . ?
C243 C244 C245 Fe21 58.6(2) . . . . ?
C244 C245 C246 C247 -0.3(4) . . . . ?
Fe21 C245 C246 C247 -59.2(2) . . . . ?
C244 C245 C246 Fe21 59.0(2) . . . . ?
C244 C243 C247 C246 -1.0(4) . . . . ?
C242 C243 C247 C246 177.0(3) . . . . ?
Fe21 C243 C247 C246 58.9(2) . . . . ?
C244 C243 C247 Fe21 -59.9(2) . . . . ?
C242 C243 C247 Fe21 118.2(3) . . . . ?
C245 C246 C247 C243 0.8(4) . . . . ?
Fe21 C246 C247 C243 -58.8(2) . . . . ?
C245 C246 C247 Fe21 59.7(2) . . . . ?
C252 C248 C249 C250 -0.3(4) . . . . ?
Fe21 C248 C249 C250 -59.9(2) . . . . ?
C252 C248 C249 Fe21 59.6(2) . . . . ?
C248 C249 C250 C251 0.3(4) . . . . ?
Fe21 C249 C250 C251 -59.0(2) . . . . ?
C248 C249 C250 Fe21 59.3(2) . . . . ?
C249 C250 C251 C252 -0.2(4) . . . . ?
Fe21 C250 C251 C252 -59.3(2) . . . . ?
C249 C250 C251 Fe21 59.1(2) . . . . ?
C250 C251 C252 C248 0.0(4) . . . . ?
Fe21 C251 C252 C248 -59.3(2) . . . . ?
C250 C251 C252 Fe21 59.3(2) . . . . ?
C249 C248 C252 C251 0.2(4) . . . . ?
Fe21 C248 C252 C251 59.6(2) . . . . ?
C249 C248 C252 Fe21 -59.4(2) . . . . ?
C265 P8 C253 C254 -54.4(2) . . . . ?
C277 P8 C253 C254 51.7(2) . . . . ?
Cu8 P8 C253 C254 175.12(19) . . . . ?
P8 C253 C254 C255 -179.1(2) . . . . ?
C253 C254 C255 C259 -33.2(4) . . . . ?
C253 C254 C255 C256 148.8(3) . . . . ?
C253 C254 C255 Fe22 58.0(3) . . . . ?
C259 C255 C256 C257 0.3(4) . . . . ?
C254 C255 C256 C257 178.6(3) . . . . ?
Fe22 C255 C256 C257 -58.9(2) . . . . ?
C259 C255 C256 Fe22 59.2(2) . . . . ?
C254 C255 C256 Fe22 -122.5(3) . . . . ?
C255 C256 C257 C258 0.0(4) . . . . ?
Fe22 C256 C257 C258 -59.2(3) . . . . ?
C255 C256 C257 Fe22 59.2(2) . . . . ?
C256 C257 C258 C259 -0.3(4) . . . . ?
Fe22 C257 C258 C259 -59.7(2) . . . . ?
C256 C257 C258 Fe22 59.3(3) . . . . ?
C257 C258 C259 C255 0.5(4) . . . . ?
Fe22 C258 C259 C255 -58.9(2) . . . . ?
C257 C258 C259 Fe22 59.4(3) . . . . ?
C256 C255 C259 C258 -0.5(4) . . . . ?
C254 C255 C259 C258 -178.8(3) . . . . ?
Fe22 C255 C259 C258 58.7(2) . . . . ?
C256 C255 C259 Fe22 -59.2(2) . . . . ?
C254 C255 C259 Fe22 122.6(3) . . . . ?
C264 C260 C261 C262 -0.5(4) . . . . ?
Fe22 C260 C261 C262 -59.5(3) . . . . ?
C264 C260 C261 Fe22 59.0(2) . . . . ?
C260 C261 C262 C263 0.7(4) . . . . ?
Fe22 C261 C262 C263 -59.4(3) . . . . ?
C260 C261 C262 Fe22 60.1(2) . . . . ?
C261 C262 C263 C264 -0.7(4) . . . . ?
Fe22 C262 C263 C264 -60.2(2) . . . . ?
C261 C262 C263 Fe22 59.6(3) . . . . ?
C261 C260 C264 C263 0.1(4) . . . . ?
Fe22 C260 C264 C263 58.9(2) . . . . ?
C261 C260 C264 Fe22 -58.8(2) . . . . ?
C262 C263 C264 C260 0.3(4) . . . . ?
Fe22 C263 C264 C260 -59.5(2) . . . . ?
C262 C263 C264 Fe22 59.9(3) . . . . ?
C277 P8 C265 C266 -174.9(2) . . . . ?
C253 P8 C265 C266 -68.0(2) . . . . ?
Cu8 P8 C265 C266 56.6(2) . . . . ?
P8 C265 C266 C267 165.8(2) . . . . ?
C265 C266 C267 C271 -93.3(4) . . . . ?
C265 C266 C267 C268 80.4(3) . . . . ?
C265 C266 C267 Fe23 173.9(2) . . . . ?
C271 C267 C268 C269 -0.5(3) . . . . ?
C266 C267 C268 C269 -175.2(3) . . . . ?
Fe23 C267 C268 C269 58.9(2) . . . . ?
C271 C267 C268 Fe23 -59.4(2) . . . . ?
C266 C267 C268 Fe23 125.9(3) . . . . ?
C267 C268 C269 C270 0.0(3) . . . . ?
Fe23 C268 C269 C270 58.9(2) . . . . ?
C267 C268 C269 Fe23 -58.8(2) . . . . ?
C268 C269 C270 C271 0.5(3) . . . . ?
Fe23 C269 C270 C271 59.7(2) . . . . ?
C268 C269 C270 Fe23 -59.2(2) . . . . ?
C269 C270 C271 C267 -0.9(4) . . . . ?
Fe23 C270 C271 C267 59.1(2) . . . . ?
C269 C270 C271 Fe23 -60.0(2) . . . . ?
C268 C267 C271 C270 0.9(3) . . . . ?
C266 C267 C271 C270 175.6(3) . . . . ?
Fe23 C267 C271 C270 -58.8(2) . . . . ?
C268 C267 C271 Fe23 59.6(2) . . . . ?
C266 C267 C271 Fe23 -125.6(3) . . . . ?
C276 C272 C273 C274 0.4(4) . . . . ?
Fe23 C272 C273 C274 -59.2(2) . . . . ?
C276 C272 C273 Fe23 59.6(2) . . . . ?
C272 C273 C274 C275 0.0(4) . . . . ?
Fe23 C273 C274 C275 -59.2(2) . . . . ?
C272 C273 C274 Fe23 59.2(2) . . . . ?
C273 C274 C275 C276 -0.4(4) . . . . ?
Fe23 C274 C275 C276 -59.8(2) . . . . ?
C273 C274 C275 Fe23 59.4(2) . . . . ?
C273 C272 C276 C275 -0.6(4) . . . . ?
Fe23 C272 C276 C275 59.1(2) . . . . ?
C273 C272 C276 Fe23 -59.7(2) . . . . ?
C274 C275 C276 C272 0.6(4) . . . . ?
Fe23 C275 C276 C272 -59.2(2) . . . . ?
C274 C275 C276 Fe23 59.8(2) . . . . ?
C265 P8 C277 C278 -74.0(3) . . . . ?
C253 P8 C277 C278 178.9(2) . . . . ?
Cu8 P8 C277 C278 58.0(3) . . . . ?
P8 C277 C278 C279 170.6(3) . . . . ?
P8 C277 C278 C289 -169.5(3) . . . . ?
C277 C278 C279 C283 74.3(5) . . . . ?
C277 C278 C279 C280 -104.2(4) . . . . ?
C277 C278 C279 Fe24 168.9(3) . . . . ?
C283 C279 C280 C281 0.0 . . . . ?
C278 C279 C280 C281 178.8(5) . . . . ?
Fe24 C279 C280 C281 -59.81(19) . . . . ?
C283 C279 C280 Fe24 59.81(19) . . . . ?
C278 C279 C280 Fe24 -121.4(4) . . . . ?
C279 C280 C281 C282 0.0 . . . . ?
Fe24 C280 C281 C282 -59.44(17) . . . . ?
C279 C280 C281 Fe24 59.44(17) . . . . ?
C280 C281 C282 C283 0.0 . . . . ?
Fe24 C281 C282 C283 -58.87(19) . . . . ?
C280 C281 C282 Fe24 58.87(18) . . . . ?
C281 C282 C283 C279 0.0 . . . . ?
Fe24 C282 C283 C279 -58.88(18) . . . . ?
C281 C282 C283 Fe24 58.88(18) . . . . ?
C280 C279 C283 C282 0.0 . . . . ?
C278 C279 C283 C282 -178.6(6) . . . . ?
Fe24 C279 C283 C282 59.46(18) . . . . ?
C280 C279 C283 Fe24 -59.46(18) . . . . ?
C278 C279 C283 Fe24 121.9(5) . . . . ?
C279 Fe24 C284 C288 -62.5(3) . . . . ?
C280 Fe24 C284 C288 -98.3(2) . . . . ?
C285 Fe24 C284 C288 113.20(10) . . . . ?
C281 Fe24 C284 C288 -141.0(2) . . . . ?
C282 Fe24 C284 C288 -173.6(3) . . . . ?
C287 Fe24 C284 C288 36.91(6) . . . . ?
C286 Fe24 C284 C288 76.31(10) . . . . ?
C279 Fe24 C284 C285 -175.7(3) . . . . ?
C280 Fe24 C284 C285 148.5(3) . . . . ?
C288 Fe24 C284 C285 -113.20(10) . . . . ?
C281 Fe24 C284 C285 105.8(2) . . . . ?
C282 Fe24 C284 C285 73.3(3) . . . . ?
C287 Fe24 C284 C285 -76.28(10) . . . . ?
C286 Fe24 C284 C285 -36.89(6) . . . . ?
C288 C284 C285 C286 0.0 . . . . ?
Fe24 C284 C285 C286 69.5(2) . . . . ?
C288 C284 C285 Fe24 -69.5(2) . . . . ?
C284 C285 C286 C287 0.0 . . . . ?
Fe24 C285 C286 C287 56.66(18) . . . . ?
C284 C285 C286 Fe24 -56.66(18) . . . . ?
C285 C286 C287 C288 0.0 . . . . ?
Fe24 C286 C287 C288 50.25(19) . . . . ?
C285 C286 C287 Fe24 -50.25(19) . . . . ?
C285 C284 C288 C287 0.0 . . . . ?
Fe24 C284 C288 C287 -69.5(2) . . . . ?
C285 C284 C288 Fe24 69.5(2) . . . . ?
C286 C287 C288 C284 0.0 . . . . ?
Fe24 C287 C288 C284 56.73(19) . . . . ?
C286 C287 C288 Fe24 -56.73(19) . . . . ?
C277 C278 C289 C290 -93.8(6) . . . . ?
C277 C278 C289 C293 84.1(5) . . . . ?
C277 C278 C289 Fe25 172.0(3) . . . . ?
C293 C289 C290 C291 0.0 . . . . ?
C278 C289 C290 C291 178.0(8) . . . . ?
Fe25 C289 C290 C291 -59.2(2) . . . . ?
C293 C289 C290 Fe25 59.2(2) . . . . ?
C278 C289 C290 Fe25 -122.8(6) . . . . ?
C289 C290 C291 C292 0.0 . . . . ?
Fe25 C290 C291 C292 -59.7(2) . . . . ?
C289 C290 C291 Fe25 59.7(2) . . . . ?
C290 C291 C292 C293 0.0 . . . . ?
Fe25 C291 C292 C293 -59.2(3) . . . . ?
C290 C291 C292 Fe25 59.2(3) . . . . ?
C291 C292 C293 C289 0.0 . . . . ?
Fe25 C292 C293 C289 -58.4(2) . . . . ?
C291 C292 C293 Fe25 58.4(2) . . . . ?
C290 C289 C293 C292 0.0 . . . . ?
C278 C289 C293 C292 -178.3(7) . . . . ?
Fe25 C289 C293 C292 58.4(3) . . . . ?
C290 C289 C293 Fe25 -58.4(3) . . . . ?
C278 C289 C293 Fe25 123.3(5) . . . . ?
C295 Fe25 C294 C298 -114.62(13) . . . . ?
C291 Fe25 C294 C298 177.7(4) . . . . ?
C292 Fe25 C294 C298 145.8(3) . . . . ?
C289 Fe25 C294 C298 73.9(3) . . . . ?
C293 Fe25 C294 C298 103.9(3) . . . . ?
C297 Fe25 C294 C298 -37.73(10) . . . . ?
C296 Fe25 C294 C298 -78.12(14) . . . . ?
C298 Fe25 C294 C295 114.62(13) . . . . ?
C291 Fe25 C294 C295 -67.7(3) . . . . ?
C292 Fe25 C294 C295 -99.6(3) . . . . ?
C289 Fe25 C294 C295 -171.5(3) . . . . ?
C293 Fe25 C294 C295 -141.4(3) . . . . ?
C297 Fe25 C294 C295 76.88(15) . . . . ?
C296 Fe25 C294 C295 36.50(10) . . . . ?
C298 C294 C295 C296 0.0 . . . . ?
Fe25 C294 C295 C296 -65.6(3) . . . . ?
C298 C294 C295 Fe25 65.6(3) . . . . ?
C294 C295 C296 C297 0.0 . . . . ?
Fe25 C295 C296 C297 -52.1(3) . . . . ?
C294 C295 C296 Fe25 52.1(3) . . . . ?
C295 C296 C297 C298 0.0 . . . . ?
Fe25 C296 C297 C298 -47.0(2) . . . . ?
C295 C296 C297 Fe25 47.0(2) . . . . ?
C296 C297 C298 C294 0.0 . . . . ?
Fe25 C297 C298 C294 -54.8(2) . . . . ?
C296 C297 C298 Fe25 54.8(2) . . . . ?
C295 C294 C298 C297 0.0 . . . . ?
Fe25 C294 C298 C297 67.8(3) . . . . ?
C295 C294 C298 Fe25 -67.8(3) . . . . ?
C294 Fe25 C298 C297 -116.83(15) . . . . ?
C295 Fe25 C298 C297 -74.4(2) . . . . ?
C290 Fe25 C298 C297 72.7(4) . . . . ?
C292 Fe25 C298 C297 -170.7(4) . . . . ?
C289 Fe25 C298 C297 109.1(3) . . . . ?
C293 Fe25 C298 C297 152.6(3) . . . . ?
C296 Fe25 C298 C297 -32.87(11) . . . . ?
C295 Fe25 C298 C294 42.40(13) . . . . ?
C290 Fe25 C298 C294 -170.5(4) . . . . ?
C292 Fe25 C298 C294 -53.9(4) . . . . ?
C289 Fe25 C298 C294 -134.0(3) . . . . ?
C293 Fe25 C298 C294 -90.6(3) . . . . ?
C297 Fe25 C298 C294 116.83(15) . . . . ?
C296 Fe25 C298 C294 83.96(16) . . . . ?
C1 P1 C13 C14 -147.3(4) . . . . ?
C25 P1 C13 C14 115.1(4) . . . . ?
Cu1 P1 C13 C14 -19.6(5) . . . . ?
P1 C25 C26 C27 149.2(6) . . . . ?
C25 C26 C27 C31 -106.6(9) . . . . ?
C25 C26 C27 C28 73.6(10) . . . . ?
C25 C26 C27 Fe3 162.8(7) . . . . ?
C31 C27 C28 C29 0.0 . . . . ?
C26 C27 C28 C29 179.9(7) . . . . ?
Fe3 C27 C28 C29 59.3(3) . . . . ?
C31 C27 C28 Fe3 -59.3(3) . . . . ?
C26 C27 C28 Fe3 120.6(6) . . . . ?
C27 C28 C29 C30 0.0 . . . . ?
Fe3 C28 C29 C30 58.9(2) . . . . ?
C27 C28 C29 Fe3 -58.9(2) . . . . ?
C28 C29 C30 C31 0.0 . . . . ?
Fe3 C29 C30 C31 59.2(2) . . . . ?
C28 C29 C30 Fe3 -59.2(2) . . . . ?
C29 C30 C31 C27 0.0 . . . . ?
Fe3 C30 C31 C27 59.9(2) . . . . ?
C29 C30 C31 Fe3 -59.9(2) . . . . ?
C28 C27 C31 C30 0.0 . . . . ?
C26 C27 C31 C30 -179.9(7) . . . . ?
Fe3 C27 C31 C30 -59.9(3) . . . . ?
C28 C27 C31 Fe3 59.9(3) . . . . ?
C26 C27 C31 Fe3 -120.0(6) . . . . ?
C36 C32 C33 C34 0.0 . . . . ?
Fe3 C32 C33 C34 -59.41(19) . . . . ?
C36 C32 C33 Fe3 59.41(19) . . . . ?
C32 C33 C34 C35 0.0 . . . . ?
Fe3 C33 C34 C35 -59.59(19) . . . . ?
C32 C33 C34 Fe3 59.59(19) . . . . ?
C33 C34 C35 C36 0.0 . . . . ?
Fe3 C34 C35 C36 -59.3(2) . . . . ?
C33 C34 C35 Fe3 59.3(2) . . . . ?
C33 C32 C36 C35 0.0 . . . . ?
Fe3 C32 C36 C35 58.99(17) . . . . ?
C33 C32 C36 Fe3 -58.99(17) . . . . ?
C34 C35 C36 C32 0.0 . . . . ?
Fe3 C35 C36 C32 -58.90(19) . . . . ?
C34 C35 C36 Fe3 58.90(19) . . . . ?
C1 P1 C25A C26A 136.5(12) . . . . ?
C13A P1 C25A C26A -116.7(13) . . . . ?
Cu1 P1 C25A C26A 2.2(14) . . . . ?
P1 C25A C26A C27A -139.8(10) . . . . ?
C25A C26A C27A C28A 12.6(12) . . . . ?
C25A C26A C27A C31A -165.7(9) . . . . ?
C25A C26A C27A Fe3A 103.4(10) . . . . ?
C31A C27A C28A C29A 0.0 . . . . ?
C26A C27A C28A C29A -178.5(6) . . . . ?
Fe3A C27A C28A C29A 59.2(3) . . . . ?
C31A C27A C28A Fe3A -59.2(3) . . . . ?
C26A C27A C28A Fe3A 122.3(5) . . . . ?
C27A C28A C29A C30A 0.0 . . . . ?
Fe3A C28A C29A C30A 59.9(2) . . . . ?
C27A C28A C29A Fe3A -59.9(2) . . . . ?
C28A C29A C30A C31A 0.0 . . . . ?
Fe3A C29A C30A C31A 60.0(2) . . . . ?
C28A C29A C30A Fe3A -60.0(2) . . . . ?
C28A C27A C31A C30A 0.0 . . . . ?
C26A C27A C31A C30A 178.5(6) . . . . ?
Fe3A C27A C31A C30A -58.9(2) . . . . ?
C28A C27A C31A Fe3A 58.9(2) . . . . ?
C26A C27A C31A Fe3A -122.6(5) . . . . ?
C29A C30A C31A C27A 0.0 . . . . ?
Fe3A C30A C31A C27A 59.4(2) . . . . ?
C29A C30A C31A Fe3A -59.4(2) . . . . ?
C36A C32A C33A C34A 0.0 . . . . ?
Fe3A C32A C33A C34A 59.6(3) . . . . ?
C36A C32A C33A Fe3A -59.6(3) . . . . ?
C32A C33A C34A C35A 0.0 . . . . ?
Fe3A C33A C34A C35A 60.6(3) . . . . ?
C32A C33A C34A Fe3A -60.6(3) . . . . ?
C33A C34A C35A C36A 0.0 . . . . ?
Fe3A C34A C35A C36A 60.1(3) . . . . ?
C33A C34A C35A Fe3A -60.1(3) . . . . ?
C34A C35A C36A C32A 0.0 . . . . ?
Fe3A C35A C36A C32A 58.8(3) . . . . ?
C34A C35A C36A Fe3A -58.8(3) . . . . ?
C33A C32A C36A C35A 0.0 . . . . ?
Fe3A C32A C36A C35A -58.5(3) . . . . ?
C33A C32A C36A Fe3A 58.5(3) . . . . ?
P1 C13A C14 C15 -157.5(4) . . . . ?
C16 C15 C14 C13A -133.5(5) . . . . ?
C19 C15 C14 C13A 51.4(6) . . . . ?
Fe2 C15 C14 C13A -41.4(6) . . . . ?
C16 C15 C14 C13 -154.4(4) . . . . ?
C19 C15 C14 C13 30.6(6) . . . . ?
Fe2 C15 C14 C13 -62.2(5) . . . . ?
P1 C13 C14 C15 -171.7(3) . . . . ?

_refine_diff_density_max         1.663
_refine_diff_density_min         -1.793
_refine_diff_density_rms         0.166
_shelxl_version_number           2014/6

_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Bruker Apex2'
_diffrn_measurement_device       'κ-geometry diffractometer'

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_b15236
_database_code_depnum_ccdc_archive 'CCDC 1429843'
_audit_update_record             
;
2015-10-06 deposited with the CCDC.
2016-01-06 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H43 Au Cl Fe3 O0.50 P'
_chemical_formula_weight         938.66
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.675(4)
_cell_length_b                   16.981(3)
_cell_length_c                   17.021(3)
_cell_angle_alpha                118.147(9)
_cell_angle_beta                 91.603(7)
_cell_angle_gamma                115.305(8)
_cell_volume                     3458.4(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    110
_cell_measurement_reflns_used    9458
_cell_measurement_theta_min      2.98
_cell_measurement_theta_max      30.53
_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.803
_exptl_crystal_F_000             1856
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.467
_exptl_crystal_size_mid          0.146
_exptl_crystal_size_min          0.091
_exptl_absorpt_coefficient_mu    5.614
_shelx_estimated_absorpt_T_min   0.179
_shelx_estimated_absorpt_T_max   0.629
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4454
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      110
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            32436
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_av_R_equivalents  0.0253
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.742
_diffrn_reflns_theta_max         24.249
_diffrn_reflns_theta_full        24.249
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measured_fraction_theta_full 0.968
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_Laue_measured_fraction_full 0.968
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_point_group_measured_fraction_full 0.968
_reflns_number_total             10825
_reflns_number_gt                9927
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       Apex2
_computing_cell_refinement       SAINT
_computing_data_reduction        SAINT
_computing_structure_solution    SHELXT
_computing_structure_refinement  SHELXL-2014
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0674P)²+23.9668P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10825
_refine_ls_number_parameters     802
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0503
_refine_ls_R_factor_gt           0.0454
_refine_ls_wR_factor_ref         0.1244
_refine_ls_wR_factor_gt          0.1170
_refine_ls_goodness_of_fit_ref   1.157
_refine_ls_restrained_S_all      1.157
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.31924(2) 0.64410(2) 0.43820(2) 0.01567(10) Uani 1 1 d . . . . .
Au2 Au 0.65831(2) 0.31873(2) 1.04232(2) 0.01792(10) Uani 1 1 d . . . . .
Cl1 Cl 0.30084(16) 0.61971(17) 0.29253(13) 0.0273(4) Uani 1 1 d . . . . .
Cl2 Cl 0.64482(18) 0.29106(19) 1.16206(15) 0.0360(5) Uani 1 1 d . . . . .
Fe1 Fe 0.66249(9) 0.71855(10) 0.74666(8) 0.0288(3) Uani 1 1 d . . . . .
Fe2 Fe 0.04530(8) 0.36956(9) 0.60611(8) 0.0223(3) Uani 1 1 d . . . . .
Fe3 Fe 0.25970(10) 0.95480(9) 0.83103(9) 0.0325(3) Uani 1 1 d . . . . .
Fe4 Fe 0.38237(8) 0.33735(9) 0.74414(7) 0.0197(2) Uani 1 1 d . . . . .
Fe5 Fe 0.67905(8) 0.04465(8) 0.61405(8) 0.0184(2) Uani 1 1 d . . . . .
Fe6 Fe 0.95882(9) 0.69780(10) 0.98489(9) 0.0296(3) Uani 1 1 d . . . . .
P1 P 0.32829(14) 0.66385(15) 0.57750(13) 0.0156(4) Uani 1 1 d . . . . .
P2 P 0.67059(14) 0.34013(14) 0.92288(13) 0.0144(4) Uani 1 1 d . . . . .
C1 C 0.4024(6) 0.6179(6) 0.6069(5) 0.0184(16) Uani 1 1 d . . . . .
H1A H 0.4208 0.6494 0.6751 0.022 Uiso 1 1 calc R U . . .
H1B H 0.3623 0.5422 0.5771 0.022 Uiso 1 1 calc R U . . .
C2 C 0.4958(6) 0.6431(6) 0.5762(5) 0.0215(17) Uani 1 1 d . . . . .
H2A H 0.4773 0.6013 0.5074 0.026 Uiso 1 1 calc R U . . .
H2B H 0.5295 0.7166 0.5960 0.026 Uiso 1 1 calc R U . . .
C3 C 0.5670(6) 0.6232(7) 0.6150(6) 0.0255(18) Uani 1 1 d . . . . .
C4 C 0.6667(6) 0.6583(7) 0.6119(6) 0.030(2) Uani 1 1 d . . . . .
H4A H 0.7004 0.6983 0.5833 0.036 Uiso 1 1 calc R U . . .
C5 C 0.7092(7) 0.6258(7) 0.6567(6) 0.035(2) Uani 1 1 d . . . . .
H5A H 0.7784 0.6392 0.6652 0.043 Uiso 1 1 calc R U . . .
C6 C 0.6372(8) 0.5715(7) 0.6874(6) 0.037(2) Uani 1 1 d . . . . .
H6A H 0.6466 0.5399 0.7215 0.044 Uiso 1 1 calc R U . . .
C7 C 0.5493(7) 0.5699(7) 0.6617(6) 0.0270(19) Uani 1 1 d . . . . .
H7A H 0.4861 0.5374 0.6749 0.032 Uiso 1 1 calc R U . . .
C8 C 0.6442(7) 0.8444(7) 0.8152(6) 0.037(2) Uani 1 1 d . . . . .
H8A H 0.5986 0.8579 0.7880 0.044 Uiso 1 1 calc R U . . .
C9 C 0.7430(7) 0.8766(7) 0.8146(7) 0.038(2) Uani 1 1 d . . . . .
H9A H 0.7801 0.9172 0.7874 0.046 Uiso 1 1 calc R U . . .
C10 C 0.7803(8) 0.8398(8) 0.8595(7) 0.049(3) Uani 1 1 d . . . . .
H10A H 0.8486 0.8506 0.8693 0.058 Uiso 1 1 calc R U . . .
C11 C 0.7044(9) 0.7857(9) 0.8871(7) 0.049(3) Uani 1 1 d . . . . .
H11A H 0.7093 0.7520 0.9205 0.059 Uiso 1 1 calc R U . . .
C12 C 0.6199(8) 0.7889(8) 0.8596(6) 0.040(2) Uani 1 1 d . . . . .
H12A H 0.5544 0.7571 0.8698 0.048 Uiso 1 1 calc R U . . .
C13 C 0.2071(6) 0.5949(6) 0.5877(5) 0.0187(16) Uani 1 1 d . . . . .
H13A H 0.2154 0.5941 0.6451 0.022 Uiso 1 1 calc R U . . .
H13B H 0.1713 0.6324 0.5936 0.022 Uiso 1 1 calc R U . . .
C14 C 0.1456(6) 0.4846(6) 0.5052(6) 0.0226(17) Uani 1 1 d . . . . .
H14A H 0.1279 0.4854 0.4494 0.027 Uiso 1 1 calc R U . . .
H14B H 0.1855 0.4502 0.4929 0.027 Uiso 1 1 calc R U . . .
C15 C 0.0525(6) 0.4233(6) 0.5213(6) 0.0224(17) Uani 1 1 d . . . . .
C16 C -0.0044(6) 0.3140(7) 0.4697(6) 0.033(2) Uani 1 1 d . . . . .
H16A H 0.0103 0.2658 0.4174 0.039 Uiso 1 1 calc R U . . .
C17 C -0.0855(6) 0.2843(7) 0.5067(7) 0.036(2) Uani 1 1 d . . . . .
H17A H -0.1373 0.2122 0.4848 0.044 Uiso 1 1 calc R U . . .
C18 C -0.0783(7) 0.3750(7) 0.5797(7) 0.033(2) Uani 1 1 d . U . . .
H18A H -0.1241 0.3782 0.6194 0.040 Uiso 1 1 calc R U . . .
C19 C 0.0066(6) 0.4624(7) 0.5900(7) 0.030(2) Uani 1 1 d . . . . .
H19A H 0.0300 0.5366 0.6369 0.037 Uiso 1 1 calc R U . . .
C20 C 0.1868(6) 0.4258(7) 0.6729(7) 0.031(2) Uani 1 1 d . . . . .
H20A H 0.2473 0.4750 0.6678 0.037 Uiso 1 1 calc R U . . .
C21 C 0.1373(7) 0.3161(8) 0.6142(7) 0.036(2) Uani 1 1 d . . . . .
H21A H 0.1570 0.2750 0.5614 0.043 Uiso 1 1 calc R U . . .
C22 C 0.0547(7) 0.2761(7) 0.6438(7) 0.034(2) Uani 1 1 d . . . . .
H22A H 0.0057 0.2014 0.6154 0.041 Uiso 1 1 calc R U . . .
C23 C 0.0534(7) 0.3602(7) 0.7212(6) 0.034(2) Uani 1 1 d . . . . .
H23A H 0.0028 0.3546 0.7559 0.041 Uiso 1 1 calc R U . . .
C24 C 0.1355(7) 0.4537(8) 0.7399(7) 0.037(2) Uani 1 1 d . . . . .
H24A H 0.1531 0.5253 0.7897 0.045 Uiso 1 1 calc R U . . .
C25 C 0.3770(6) 0.7968(6) 0.6750(5) 0.0226(17) Uani 1 1 d . . . . .
H25A H 0.3646 0.7967 0.7316 0.027 Uiso 1 1 calc R U . . .
H25B H 0.4492 0.8359 0.6868 0.027 Uiso 1 1 calc R U . . .
C26 C 0.3297(6) 0.8504(6) 0.6554(6) 0.0242(17) Uani 1 1 d . . . . .
H26A H 0.3576 0.8678 0.6106 0.029 Uiso 1 1 calc R U . . .
H26B H 0.2581 0.8014 0.6254 0.029 Uiso 1 1 calc R U . . .
C27 C 0.3438(6) 0.9470(7) 0.7400(6) 0.0289(19) Uani 1 1 d . . . . .
C28 C 0.2949(7) 1.0028(7) 0.7404(7) 0.036(2) Uani 1 1 d . . . . .
H28A H 0.2482 0.9854 0.6860 0.043 Uiso 1 1 calc R U . . .
C29 C 0.3282(8) 1.0898(7) 0.8357(8) 0.048(3) Uani 1 1 d . . . . .
H29A H 0.3072 1.1428 0.8587 0.057 Uiso 1 1 calc R U . . .
C30 C 0.3937(7) 1.0866(7) 0.8900(7) 0.042(3) Uani 1 1 d . . . . .
H30A H 0.4270 1.1366 0.9583 0.050 Uiso 1 1 calc R U . . .
C31 C 0.4027(7) 0.9968(7) 0.8317(7) 0.038(2) Uani 1 1 d . . . . .
H31A H 0.4438 0.9745 0.8522 0.045 Uiso 1 1 calc R U . . .
C32 C 0.1448(8) 0.8098(7) 0.7793(7) 0.046(3) Uani 1 1 d . . . . .
H32A H 0.1292 0.7473 0.7176 0.055 Uiso 1 1 calc R U . . .
C33 C 0.2091(8) 0.8458(8) 0.8655(9) 0.049(3) Uani 1 1 d . . . . .
H33A H 0.2448 0.8129 0.8749 0.058 Uiso 1 1 calc R U . . .
C34 C 0.2106(7) 0.9378(7) 0.9352(7) 0.038(2) Uani 1 1 d . . . . .
H34A H 0.2486 0.9815 1.0025 0.046 Uiso 1 1 calc R U . . .
C35 C 0.1490(7) 0.9556(8) 0.8915(7) 0.039(2) Uani 1 1 d . . . . .
H35A H 0.1370 1.0151 0.9230 0.046 Uiso 1 1 calc R U . . .
C36 C 0.1084(7) 0.8774(7) 0.7961(7) 0.040(2) Uani 1 1 d . . . . .
H36A H 0.0626 0.8714 0.7488 0.047 Uiso 1 1 calc R U . . .
C37 C 0.6091(6) 0.4056(6) 0.9109(5) 0.0186(16) Uani 1 1 d . . . . .
H37A H 0.6466 0.4793 0.9615 0.022 Uiso 1 1 calc R U . . .
H37B H 0.6104 0.4018 0.8511 0.022 Uiso 1 1 calc R U . . .
C38 C 0.5028(6) 0.3609(6) 0.9138(5) 0.0192(16) Uani 1 1 d . . . . .
H38A H 0.4692 0.2848 0.8744 0.023 Uiso 1 1 calc R U . . .
H38B H 0.5020 0.3805 0.9784 0.023 Uiso 1 1 calc R U . . .
C39 C 0.4465(6) 0.3980(6) 0.8804(5) 0.0215(17) Uani 1 1 d . . . . .
C40 C 0.3436(6) 0.3573(7) 0.8618(6) 0.0266(18) Uani 1 1 d . . . . .
H40A H 0.2969 0.3011 0.8700 0.032 Uiso 1 1 calc R U . . .
C41 C 0.3174(7) 0.4093(7) 0.8298(6) 0.032(2) Uani 1 1 d . . . . .
H41A H 0.2493 0.3962 0.8115 0.038 Uiso 1 1 calc R U . . .
C42 C 0.4026(7) 0.4812(7) 0.8273(6) 0.030(2) Uani 1 1 d . . . . .
H42A H 0.4063 0.5287 0.8070 0.036 Uiso 1 1 calc R U . . .
C43 C 0.4836(6) 0.4752(6) 0.8586(5) 0.0239(18) Uani 1 1 d . . . . .
H43A H 0.5541 0.5178 0.8641 0.029 Uiso 1 1 calc R U . . .
C44 C 0.4315(7) 0.2405(7) 0.6648(6) 0.033(2) Uani 1 1 d . . . . .
H44A H 0.4858 0.2339 0.6882 0.039 Uiso 1 1 calc R U . . .
C45 C 0.3308(8) 0.1837(7) 0.6558(6) 0.035(2) Uani 1 1 d . . . . .
H45A H 0.3011 0.1296 0.6712 0.042 Uiso 1 1 calc R U . . .
C46 C 0.2788(7) 0.2172(6) 0.6206(6) 0.0290(19) Uani 1 1 d . . . . .
H46A H 0.2062 0.1908 0.6072 0.035 Uiso 1 1 calc R U . . .
C47 C 0.3484(6) 0.2946(6) 0.6074(5) 0.0244(18) Uani 1 1 d . . . . .
H47A H 0.3337 0.3326 0.5837 0.029 Uiso 1 1 calc R U . . .
C48 C 0.4423(7) 0.3078(7) 0.6340(6) 0.0294(19) Uani 1 1 d . . . . .
H48A H 0.5057 0.3578 0.6332 0.035 Uiso 1 1 calc R U . . .
C49 C 0.6167(6) 0.2184(6) 0.8121(5) 0.0164(15) Uani 1 1 d . . . . .
H49A H 0.5442 0.1875 0.7952 0.020 Uiso 1 1 calc R U . . .
H49B H 0.6398 0.2316 0.7638 0.020 Uiso 1 1 calc R U . . .
C50 C 0.6421(6) 0.1409(6) 0.8122(5) 0.0192(16) Uani 1 1 d . . . . .
H50A H 0.7140 0.1754 0.8398 0.023 Uiso 1 1 calc R U . . .
H50B H 0.6085 0.1175 0.8517 0.023 Uiso 1 1 calc R U . . .
C51 C 0.6117(6) 0.0478(6) 0.7152(6) 0.0199(17) Uani 1 1 d . . . . .
C52 C 0.6506(6) -0.0210(6) 0.6903(6) 0.0268(19) Uani 1 1 d . . . . .
H52A H 0.7008 -0.0153 0.7333 0.032 Uiso 1 1 calc R U . . .
C53 C 0.6057(7) -0.0979(6) 0.5940(6) 0.032(2) Uani 1 1 d . . . . .
H53A H 0.6187 -0.1559 0.5572 0.038 Uiso 1 1 calc R U . . .
C54 C 0.5398(6) -0.0774(6) 0.5594(6) 0.029(2) Uani 1 1 d . . . . .
H54A H 0.4985 -0.1182 0.4935 0.035 Uiso 1 1 calc R U . . .
C55 C 0.5432(6) 0.0120(6) 0.6339(6) 0.0236(17) Uani 1 1 d . . . . .
H55A H 0.5050 0.0449 0.6292 0.028 Uiso 1 1 calc R U . . .
C56 C 0.7886(6) 0.1927(6) 0.6638(6) 0.030(2) Uani 1 1 d . . . . .
H56A H 0.8035 0.2553 0.7251 0.036 Uiso 1 1 calc R U . . .
C57 C 0.8285(6) 0.1274(7) 0.6468(6) 0.031(2) Uani 1 1 d . . . . .
H57A H 0.8768 0.1362 0.6941 0.037 Uiso 1 1 calc R U . . .
C58 C 0.7881(6) 0.0468(6) 0.5507(6) 0.0259(18) Uani 1 1 d . . . . .
H58A H 0.8032 -0.0104 0.5187 0.031 Uiso 1 1 calc R U . . .
C59 C 0.7228(6) 0.0625(7) 0.5094(6) 0.0282(19) Uani 1 1 d . . . . .
H59A H 0.6828 0.0174 0.4426 0.034 Uiso 1 1 calc R U . . .
C60 C 0.7216(6) 0.1519(6) 0.5781(6) 0.0285(19) Uani 1 1 d . . . . .
H60A H 0.6818 0.1811 0.5683 0.034 Uiso 1 1 calc R U . . .
C61 C 0.7969(5) 0.4160(6) 0.9254(5) 0.0191(16) Uani 1 1 d . . . . .
H61A H 0.8294 0.3740 0.9093 0.023 Uiso 1 1 calc R U . . .
H61B H 0.7954 0.4339 0.8780 0.023 Uiso 1 1 calc R U . . .
C62 C 0.8568(6) 0.5150(6) 1.0209(5) 0.0213(17) Uani 1 1 d . . . . .
H62A H 0.8146 0.5453 1.0455 0.026 Uiso 1 1 calc R U . . .
H62B H 0.8753 0.4973 1.0638 0.026 Uiso 1 1 calc R U . . .
C63 C 0.9494(6) 0.5954(6) 1.0203(7) 0.029(2) Uani 1 1 d . . . . .
C64 C 0.9932(6) 0.5832(7) 0.9475(7) 0.033(2) Uani 1 1 d . . . . .
H64A H 0.9684 0.5189 0.8847 0.040 Uiso 1 1 calc R U . . .
C65 C 1.0807(7) 0.6823(8) 0.9805(8) 0.040(3) Uani 1 1 d . . . . .
H65A H 1.1273 0.6983 0.9443 0.049 Uiso 1 1 calc R U . . .
C66 C 1.0882(7) 0.7519(8) 1.0727(8) 0.043(3) Uani 1 1 d . . . . .
H66A H 1.1410 0.8260 1.1124 0.052 Uiso 1 1 calc R U . . .
C67 C 1.0073(7) 0.7004(7) 1.0997(7) 0.038(2) Uani 1 1 d . . . . .
H67A H 0.9936 0.7306 1.1610 0.045 Uiso 1 1 calc R U . . .
C68 C 0.8194(7) 0.6689(8) 0.9429(9) 0.047(3) Uani 1 1 d . . . . .
H68A H 0.7576 0.6140 0.9405 0.057 Uiso 1 1 calc R U . . .
C69 C 0.8776(8) 0.7710(9) 1.0208(8) 0.045(3) Uani 1 1 d . . . . .
H69A H 0.8640 0.8017 1.0821 0.054 Uiso 1 1 calc R U . . .
C70 C 0.9586(7) 0.8218(8) 0.9939(8) 0.043(3) Uani 1 1 d . . . . .
H70A H 1.0130 0.8950 1.0347 0.051 Uiso 1 1 calc R U . . .
C71 C 0.9517(7) 0.7525(7) 0.9015(7) 0.035(2) Uani 1 1 d . . . . .
H71A H 0.9988 0.7680 0.8655 0.042 Uiso 1 1 calc R U . . .
C72 C 0.8642(8) 0.6561(8) 0.8692(8) 0.044(3) Uani 1 1 d . . . . .
H72A H 0.8390 0.5915 0.8065 0.053 Uiso 1 1 calc R U . . .
O1S O 0.0679(6) 0.0610(7) 0.4336(6) 0.068(2) Uani 1 1 d . . . . .
C1S C -0.0338(8) 0.0211(10) 0.3995(9) 0.060(3) Uani 1 1 d . . . . .
H02G H -0.0466 0.0773 0.4107 0.072 Uiso 1 1 calc R U . . .
H02H H -0.0713 -0.0120 0.4314 0.072 Uiso 1 1 calc R U . . .
C2S C -0.0646(10) -0.0562(12) 0.2975(10) 0.075(4) Uani 1 1 d . . . . .
H02E H -0.1203 -0.0605 0.2636 0.091 Uiso 1 1 calc R U . . .
H02F H -0.0825 -0.1255 0.2845 0.091 Uiso 1 1 calc R U . . .
C3S C 0.0330(10) -0.0078(11) 0.2730(9) 0.064(3) Uani 1 1 d . . . . .
H02A H 0.0528 -0.0600 0.2382 0.077 Uiso 1 1 calc R U . . .
H02B H 0.0238 0.0188 0.2346 0.077 Uiso 1 1 calc R U . . .
C4S C 0.1086(9) 0.0774(10) 0.3634(9) 0.061(3) Uani 1 1 d . . . . .
H02C H 0.1710 0.0758 0.3641 0.073 Uiso 1 1 calc R U . . .
H02D H 0.1218 0.1450 0.3749 0.073 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P1 2.2236(19) . ?
Au1 Cl1 2.3001(19) . ?
Au2 P2 2.2273(18) . ?
Au2 Cl2 2.294(2) . ?
Fe1 C5 2.033(9) . ?
Fe1 C11 2.035(10) . ?
Fe1 C12 2.038(9) . ?
Fe1 C10 2.039(10) . ?
Fe1 C4 2.040(8) . ?
Fe1 C6 2.042(9) . ?
Fe1 C7 2.048(9) . ?
Fe1 C8 2.050(9) . ?
Fe1 C3 2.050(8) . ?
Fe1 C9 2.056(10) . ?
Fe2 C16 2.023(9) . ?
Fe2 C15 2.023(7) . ?
Fe2 C22 2.026(8) . ?
Fe2 C18 2.027(9) . ?
Fe2 C17 2.030(9) . ?
Fe2 C21 2.036(9) . ?
Fe2 C19 2.037(8) . ?
Fe2 C20 2.037(8) . ?
Fe2 C23 2.044(8) . ?
Fe2 C24 2.061(9) . ?
Fe3 C29 2.032(9) . ?
Fe3 C32 2.039(10) . ?
Fe3 C31 2.039(10) . ?
Fe3 C30 2.042(9) . ?
Fe3 C35 2.044(9) . ?
Fe3 C34 2.046(9) . ?
Fe3 C33 2.048(9) . ?
Fe3 C28 2.049(9) . ?
Fe3 C36 2.056(10) . ?
Fe3 C27 2.056(8) . ?
Fe4 C40 2.024(8) . ?
Fe4 C41 2.029(8) . ?
Fe4 C42 2.030(8) . ?
Fe4 C43 2.036(8) . ?
Fe4 C45 2.037(9) . ?
Fe4 C46 2.037(9) . ?
Fe4 C44 2.042(9) . ?
Fe4 C39 2.044(8) . ?
Fe4 C47 2.058(8) . ?
Fe4 C48 2.064(8) . ?
Fe5 C52 2.025(8) . ?
Fe5 C53 2.029(8) . ?
Fe5 C54 2.031(8) . ?
Fe5 C59 2.033(8) . ?
Fe5 C51 2.035(7) . ?
Fe5 C57 2.037(9) . ?
Fe5 C55 2.040(8) . ?
Fe5 C58 2.042(8) . ?
Fe5 C60 2.042(8) . ?
Fe5 C56 2.051(8) . ?
Fe6 C66 2.033(9) . ?
Fe6 C65 2.036(9) . ?
Fe6 C70 2.039(9) . ?
Fe6 C63 2.045(8) . ?
Fe6 C68 2.047(9) . ?
Fe6 C72 2.049(9) . ?
Fe6 C67 2.050(9) . ?
Fe6 C71 2.052(8) . ?
Fe6 C69 2.054(10) . ?
Fe6 C64 2.057(9) . ?
P1 C13 1.821(8) . ?
P1 C1 1.823(7) . ?
P1 C25 1.832(8) . ?
P2 C49 1.812(7) . ?
P2 C37 1.824(7) . ?
P2 C61 1.829(8) . ?
C1 C2 1.522(11) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.512(11) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C7 1.417(12) . ?
C3 C4 1.428(12) . ?
C4 C5 1.418(13) . ?
C4 H4A 1.0000 . ?
C5 C6 1.413(15) . ?
C5 H5A 1.0000 . ?
C6 C7 1.419(13) . ?
C6 H6A 1.0000 . ?
C7 H7A 1.0000 . ?
C8 C12 1.407(15) . ?
C8 C9 1.408(14) . ?
C8 H8A 1.0000 . ?
C9 C10 1.432(14) . ?
C9 H9A 1.0000 . ?
C10 C11 1.409(17) . ?
C10 H10A 1.0000 . ?
C11 C12 1.425(15) . ?
C11 H11A 1.0000 . ?
C12 H12A 1.0000 . ?
C13 C14 1.519(11) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.511(11) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.420(12) . ?
C15 C19 1.431(13) . ?
C16 C17 1.437(13) . ?
C16 H16A 1.0000 . ?
C17 C18 1.402(14) . ?
C17 H17A 1.0000 . ?
C18 C19 1.435(12) . ?
C18 H18A 1.0000 . ?
C19 H19A 1.0000 . ?
C20 C21 1.427(14) . ?
C20 C24 1.428(14) . ?
C20 H20A 1.0000 . ?
C21 C22 1.413(13) . ?
C21 H21A 1.0000 . ?
C22 C23 1.424(14) . ?
C22 H22A 1.0000 . ?
C23 C24 1.426(13) . ?
C23 H23A 1.0000 . ?
C24 H24A 1.0000 . ?
C25 C26 1.530(11) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.502(12) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C31 1.419(14) . ?
C27 C28 1.448(13) . ?
C28 C29 1.456(15) . ?
C28 H28A 1.0000 . ?
C29 C30 1.397(17) . ?
C29 H29A 1.0000 . ?
C30 C31 1.446(14) . ?
C30 H30A 1.0000 . ?
C31 H31A 1.0000 . ?
C32 C36 1.409(15) . ?
C32 C33 1.443(17) . ?
C32 H32A 1.0000 . ?
C33 C34 1.438(15) . ?
C33 H33A 1.0000 . ?
C34 C35 1.414(15) . ?
C34 H34A 1.0000 . ?
C35 C36 1.411(14) . ?
C35 H35A 1.0000 . ?
C36 H36A 1.0000 . ?
C37 C38 1.522(11) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.511(10) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.412(12) . ?
C39 C43 1.418(12) . ?
C40 C41 1.412(12) . ?
C40 H40A 1.0000 . ?
C41 C42 1.389(14) . ?
C41 H41A 1.0000 . ?
C42 C43 1.425(12) . ?
C42 H42A 1.0000 . ?
C43 H43A 1.0000 . ?
C44 C45 1.411(14) . ?
C44 C48 1.419(13) . ?
C44 H44A 1.0000 . ?
C45 C46 1.427(12) . ?
C45 H45A 1.0000 . ?
C46 C47 1.427(13) . ?
C46 H46A 1.0000 . ?
C47 C48 1.416(12) . ?
C47 H47A 1.0000 . ?
C48 H48A 1.0000 . ?
C49 C50 1.530(10) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C51 1.517(11) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C55 1.416(12) . ?
C51 C52 1.439(11) . ?
C52 C53 1.421(13) . ?
C52 H52A 1.0000 . ?
C53 C54 1.416(14) . ?
C53 H53A 1.0000 . ?
C54 C55 1.423(12) . ?
C54 H54A 1.0000 . ?
C55 H55A 1.0000 . ?
C56 C57 1.416(13) . ?
C56 C60 1.432(13) . ?
C56 H56A 1.0000 . ?
C57 C58 1.427(12) . ?
C57 H57A 1.0000 . ?
C58 C59 1.409(13) . ?
C58 H58A 1.0000 . ?
C59 C60 1.422(12) . ?
C59 H59A 1.0000 . ?
C60 H60A 1.0000 . ?
C61 C62 1.529(11) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.513(11) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.406(14) . ?
C63 C67 1.451(13) . ?
C64 C65 1.456(13) . ?
C64 H64A 1.0000 . ?
C65 C66 1.412(16) . ?
C65 H65A 1.0000 . ?
C66 C67 1.431(14) . ?
C66 H66A 1.0000 . ?
C67 H67A 1.0000 . ?
C68 C69 1.417(16) . ?
C68 C72 1.426(16) . ?
C68 H68A 1.0000 . ?
C69 C70 1.427(15) . ?
C69 H69A 1.0000 . ?
C70 C71 1.416(15) . ?
C70 H70A 1.0000 . ?
C71 C72 1.434(14) . ?
C71 H71A 1.0000 . ?
C72 H72A 1.0000 . ?
O1S C1S 1.412(14) . ?
O1S C4S 1.455(15) . ?
C1S C2S 1.493(18) . ?
C1S H02G 0.9900 . ?
C1S H02H 0.9900 . ?
C2S C3S 1.573(18) . ?
C2S H02E 0.9900 . ?
C2S H02F 0.9900 . ?
C3S C4S 1.482(18) . ?
C3S H02A 0.9900 . ?
C3S H02B 0.9900 . ?
C4S H02C 0.9900 . ?
C4S H02D 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 Cl1 176.92(7) . . ?
P2 Au2 Cl2 178.02(8) . . ?
C5 Fe1 C11 123.9(4) . . ?
C5 Fe1 C12 160.8(4) . . ?
C11 Fe1 C12 41.0(4) . . ?
C5 Fe1 C10 108.0(4) . . ?
C11 Fe1 C10 40.5(5) . . ?
C12 Fe1 C10 68.1(4) . . ?
C5 Fe1 C4 40.8(4) . . ?
C11 Fe1 C4 160.8(4) . . ?
C12 Fe1 C4 156.9(4) . . ?
C10 Fe1 C4 124.7(5) . . ?
C5 Fe1 C6 40.6(4) . . ?
C11 Fe1 C6 107.1(4) . . ?
C12 Fe1 C6 124.1(4) . . ?
C10 Fe1 C6 121.5(4) . . ?
C4 Fe1 C6 68.5(4) . . ?
C5 Fe1 C7 68.2(4) . . ?
C11 Fe1 C7 121.2(4) . . ?
C12 Fe1 C7 107.5(4) . . ?
C10 Fe1 C7 156.7(4) . . ?
C4 Fe1 C7 68.4(4) . . ?
C6 Fe1 C7 40.6(4) . . ?
C5 Fe1 C8 157.5(4) . . ?
C11 Fe1 C8 68.4(4) . . ?
C12 Fe1 C8 40.3(4) . . ?
C10 Fe1 C8 68.0(4) . . ?
C4 Fe1 C8 122.0(4) . . ?
C6 Fe1 C8 160.7(4) . . ?
C7 Fe1 C8 124.3(4) . . ?
C5 Fe1 C3 68.4(3) . . ?
C11 Fe1 C3 156.6(5) . . ?
C12 Fe1 C3 121.3(4) . . ?
C10 Fe1 C3 161.6(5) . . ?
C4 Fe1 C3 40.9(3) . . ?
C6 Fe1 C3 68.3(3) . . ?
C7 Fe1 C3 40.5(3) . . ?
C8 Fe1 C3 108.0(3) . . ?
C5 Fe1 C9 122.3(4) . . ?
C11 Fe1 C9 68.6(5) . . ?
C12 Fe1 C9 67.9(4) . . ?
C10 Fe1 C9 41.0(4) . . ?
C4 Fe1 C9 108.0(4) . . ?
C6 Fe1 C9 157.6(4) . . ?
C7 Fe1 C9 160.6(3) . . ?
C8 Fe1 C9 40.1(4) . . ?
C3 Fe1 C9 124.5(4) . . ?
C16 Fe2 C15 41.1(3) . . ?
C16 Fe2 C22 119.3(4) . . ?
C15 Fe2 C22 154.2(4) . . ?
C16 Fe2 C18 68.8(4) . . ?
C15 Fe2 C18 69.4(3) . . ?
C22 Fe2 C18 125.2(4) . . ?
C16 Fe2 C17 41.5(4) . . ?
C15 Fe2 C17 69.7(3) . . ?
C22 Fe2 C17 106.6(4) . . ?
C18 Fe2 C17 40.4(4) . . ?
C16 Fe2 C21 106.1(4) . . ?
C15 Fe2 C21 119.1(4) . . ?
C22 Fe2 C21 40.7(4) . . ?
C18 Fe2 C21 161.8(4) . . ?
C17 Fe2 C21 124.4(4) . . ?
C16 Fe2 C19 69.2(4) . . ?
C15 Fe2 C19 41.3(4) . . ?
C22 Fe2 C19 163.2(4) . . ?
C18 Fe2 C19 41.4(3) . . ?
C17 Fe2 C19 69.3(4) . . ?
C21 Fe2 C19 155.0(4) . . ?
C16 Fe2 C20 124.5(4) . . ?
C15 Fe2 C20 106.7(3) . . ?
C22 Fe2 C20 68.6(3) . . ?
C18 Fe2 C20 156.1(4) . . ?
C17 Fe2 C20 162.2(4) . . ?
C21 Fe2 C20 41.0(4) . . ?
C19 Fe2 C20 120.2(4) . . ?
C16 Fe2 C23 155.1(4) . . ?
C15 Fe2 C23 163.0(4) . . ?
C22 Fe2 C23 40.9(4) . . ?
C18 Fe2 C23 108.1(4) . . ?
C17 Fe2 C23 120.0(4) . . ?
C21 Fe2 C23 68.7(4) . . ?
C19 Fe2 C23 125.8(4) . . ?
C20 Fe2 C23 68.4(4) . . ?
C16 Fe2 C24 162.2(4) . . ?
C15 Fe2 C24 125.1(4) . . ?
C22 Fe2 C24 68.9(4) . . ?
C18 Fe2 C24 121.1(4) . . ?
C17 Fe2 C24 155.3(4) . . ?
C21 Fe2 C24 69.0(4) . . ?
C19 Fe2 C24 107.6(4) . . ?
C20 Fe2 C24 40.8(4) . . ?
C23 Fe2 C24 40.7(4) . . ?
C29 Fe3 C32 152.6(5) . . ?
C29 Fe3 C31 69.1(4) . . ?
C32 Fe3 C31 127.5(4) . . ?
C29 Fe3 C30 40.1(5) . . ?
C32 Fe3 C30 166.3(5) . . ?
C31 Fe3 C30 41.5(4) . . ?
C29 Fe3 C35 106.7(4) . . ?
C32 Fe3 C35 67.7(4) . . ?
C31 Fe3 C35 154.5(4) . . ?
C30 Fe3 C35 119.2(4) . . ?
C29 Fe3 C34 125.5(4) . . ?
C32 Fe3 C34 68.7(4) . . ?
C31 Fe3 C34 120.3(4) . . ?
C30 Fe3 C34 108.2(4) . . ?
C35 Fe3 C34 40.5(4) . . ?
C29 Fe3 C33 164.0(5) . . ?
C32 Fe3 C33 41.4(5) . . ?
C31 Fe3 C33 108.1(4) . . ?
C30 Fe3 C33 127.6(5) . . ?
C35 Fe3 C33 68.5(4) . . ?
C34 Fe3 C33 41.1(4) . . ?
C29 Fe3 C28 41.8(4) . . ?
C32 Fe3 C28 117.9(4) . . ?
C31 Fe3 C28 69.5(4) . . ?
C30 Fe3 C28 69.1(4) . . ?
C35 Fe3 C28 125.1(4) . . ?
C34 Fe3 C28 163.1(4) . . ?
C33 Fe3 C28 153.5(4) . . ?
C29 Fe3 C36 118.1(5) . . ?
C32 Fe3 C36 40.3(4) . . ?
C31 Fe3 C36 164.2(4) . . ?
C30 Fe3 C36 152.4(4) . . ?
C35 Fe3 C36 40.3(4) . . ?
C34 Fe3 C36 68.4(4) . . ?
C33 Fe3 C36 68.9(4) . . ?
C28 Fe3 C36 105.8(4) . . ?
C29 Fe3 C27 69.2(4) . . ?
C32 Fe3 C27 108.1(4) . . ?
C31 Fe3 C27 40.5(4) . . ?
C30 Fe3 C27 68.7(4) . . ?
C35 Fe3 C27 163.5(4) . . ?
C34 Fe3 C27 154.7(4) . . ?
C33 Fe3 C27 119.7(4) . . ?
C28 Fe3 C27 41.3(4) . . ?
C36 Fe3 C27 126.3(4) . . ?
C40 Fe4 C41 40.8(3) . . ?
C40 Fe4 C42 68.1(4) . . ?
C41 Fe4 C42 40.0(4) . . ?
C40 Fe4 C43 68.2(4) . . ?
C41 Fe4 C43 68.2(4) . . ?
C42 Fe4 C43 41.0(3) . . ?
C40 Fe4 C45 107.5(4) . . ?
C41 Fe4 C45 129.3(4) . . ?
C42 Fe4 C45 167.7(4) . . ?
C43 Fe4 C45 149.5(3) . . ?
C40 Fe4 C46 117.3(4) . . ?
C41 Fe4 C46 108.7(4) . . ?
C42 Fe4 C46 129.6(3) . . ?
C43 Fe4 C46 168.4(3) . . ?
C45 Fe4 C46 41.0(3) . . ?
C40 Fe4 C44 128.4(3) . . ?
C41 Fe4 C44 167.2(4) . . ?
C42 Fe4 C44 151.2(4) . . ?
C43 Fe4 C44 117.1(4) . . ?
C45 Fe4 C44 40.5(4) . . ?
C46 Fe4 C44 68.4(4) . . ?
C40 Fe4 C39 40.6(3) . . ?
C41 Fe4 C39 68.5(3) . . ?
C42 Fe4 C39 68.7(3) . . ?
C43 Fe4 C39 40.7(3) . . ?
C45 Fe4 C39 116.1(3) . . ?
C46 Fe4 C39 149.8(4) . . ?
C44 Fe4 C39 107.3(3) . . ?
C40 Fe4 C47 151.1(3) . . ?
C41 Fe4 C47 118.3(3) . . ?
C42 Fe4 C47 109.2(3) . . ?
C43 Fe4 C47 129.9(3) . . ?
C45 Fe4 C47 68.6(3) . . ?
C46 Fe4 C47 40.8(4) . . ?
C44 Fe4 C47 68.3(3) . . ?
C39 Fe4 C47 167.6(4) . . ?
C40 Fe4 C48 167.0(3) . . ?
C41 Fe4 C48 151.3(3) . . ?
C42 Fe4 C48 118.8(4) . . ?
C43 Fe4 C48 109.1(4) . . ?
C45 Fe4 C48 67.9(4) . . ?
C46 Fe4 C48 67.9(4) . . ?
C44 Fe4 C48 40.4(4) . . ?
C39 Fe4 C48 129.2(3) . . ?
C47 Fe4 C48 40.2(3) . . ?
C52 Fe5 C53 41.0(4) . . ?
C52 Fe5 C54 68.8(4) . . ?
C53 Fe5 C54 40.8(4) . . ?
C52 Fe5 C59 155.3(3) . . ?
C53 Fe5 C59 120.5(4) . . ?
C54 Fe5 C59 108.0(4) . . ?
C52 Fe5 C51 41.5(3) . . ?
C53 Fe5 C51 69.4(3) . . ?
C54 Fe5 C51 68.9(3) . . ?
C59 Fe5 C51 162.1(3) . . ?
C52 Fe5 C57 106.2(4) . . ?
C53 Fe5 C57 123.3(4) . . ?
C54 Fe5 C57 160.6(4) . . ?
C59 Fe5 C57 68.3(4) . . ?
C51 Fe5 C57 120.6(3) . . ?
C52 Fe5 C55 69.0(3) . . ?
C53 Fe5 C55 69.0(4) . . ?
C54 Fe5 C55 40.9(3) . . ?
C59 Fe5 C55 125.6(4) . . ?
C51 Fe5 C55 40.6(3) . . ?
C57 Fe5 C55 156.6(3) . . ?
C52 Fe5 C58 119.7(3) . . ?
C53 Fe5 C58 106.0(3) . . ?
C54 Fe5 C58 123.9(3) . . ?
C59 Fe5 C58 40.4(4) . . ?
C51 Fe5 C58 156.0(4) . . ?
C57 Fe5 C58 40.9(3) . . ?
C55 Fe5 C58 161.6(3) . . ?
C52 Fe5 C60 161.7(4) . . ?
C53 Fe5 C60 156.5(4) . . ?
C54 Fe5 C60 121.9(4) . . ?
C59 Fe5 C60 40.9(3) . . ?
C51 Fe5 C60 124.7(3) . . ?
C57 Fe5 C60 68.7(4) . . ?
C55 Fe5 C60 108.3(3) . . ?
C58 Fe5 C60 68.8(3) . . ?
C52 Fe5 C56 123.9(4) . . ?
C53 Fe5 C56 160.4(4) . . ?
C54 Fe5 C56 157.6(4) . . ?
C59 Fe5 C56 68.4(4) . . ?
C51 Fe5 C56 107.4(3) . . ?
C57 Fe5 C56 40.5(4) . . ?
C55 Fe5 C56 121.9(3) . . ?
C58 Fe5 C56 68.6(3) . . ?
C60 Fe5 C56 40.9(4) . . ?
C66 Fe6 C65 40.6(5) . . ?
C66 Fe6 C70 107.2(4) . . ?
C65 Fe6 C70 122.1(4) . . ?
C66 Fe6 C63 68.8(4) . . ?
C65 Fe6 C63 68.7(4) . . ?
C70 Fe6 C63 159.7(4) . . ?
C66 Fe6 C68 158.8(5) . . ?
C65 Fe6 C68 159.7(5) . . ?
C70 Fe6 C68 67.7(4) . . ?
C63 Fe6 C68 108.4(4) . . ?
C66 Fe6 C72 158.6(5) . . ?
C65 Fe6 C72 122.7(5) . . ?
C70 Fe6 C72 68.1(4) . . ?
C63 Fe6 C72 122.9(4) . . ?
C68 Fe6 C72 40.7(5) . . ?
C66 Fe6 C67 41.0(4) . . ?
C65 Fe6 C67 69.2(4) . . ?
C70 Fe6 C67 122.4(4) . . ?
C63 Fe6 C67 41.5(4) . . ?
C68 Fe6 C67 122.8(4) . . ?
C72 Fe6 C67 159.3(4) . . ?
C66 Fe6 C71 122.0(4) . . ?
C65 Fe6 C71 106.5(4) . . ?
C70 Fe6 C71 40.5(4) . . ?
C63 Fe6 C71 158.7(4) . . ?
C68 Fe6 C71 68.5(4) . . ?
C72 Fe6 C71 40.9(4) . . ?
C67 Fe6 C71 158.2(4) . . ?
C66 Fe6 C69 122.2(5) . . ?
C65 Fe6 C69 158.1(5) . . ?
C70 Fe6 C69 40.8(4) . . ?
C63 Fe6 C69 123.2(4) . . ?
C68 Fe6 C69 40.4(4) . . ?
C72 Fe6 C69 68.8(4) . . ?
C67 Fe6 C69 106.6(4) . . ?
C71 Fe6 C69 69.0(4) . . ?
C66 Fe6 C64 69.1(4) . . ?
C65 Fe6 C64 41.7(4) . . ?
C70 Fe6 C64 158.9(4) . . ?
C63 Fe6 C64 40.1(4) . . ?
C68 Fe6 C64 123.2(4) . . ?
C72 Fe6 C64 107.3(4) . . ?
C67 Fe6 C64 69.3(4) . . ?
C71 Fe6 C64 122.6(4) . . ?
C69 Fe6 C64 158.8(4) . . ?
C13 P1 C1 105.7(4) . . ?
C13 P1 C25 103.5(4) . . ?
C1 P1 C25 105.6(4) . . ?
C13 P1 Au1 111.7(3) . . ?
C1 P1 Au1 114.6(2) . . ?
C25 P1 Au1 114.8(3) . . ?
C49 P2 C37 104.3(3) . . ?
C49 P2 C61 105.9(4) . . ?
C37 P2 C61 103.5(4) . . ?
C49 P2 Au2 112.2(2) . . ?
C37 P2 Au2 115.4(3) . . ?
C61 P2 Au2 114.5(3) . . ?
C2 C1 P1 112.9(5) . . ?
C2 C1 H1A 109.0 . . ?
P1 C1 H1A 109.0 . . ?
C2 C1 H1B 109.0 . . ?
P1 C1 H1B 109.0 . . ?
H1A C1 H1B 107.8 . . ?
C3 C2 C1 113.6(6) . . ?
C3 C2 H2A 108.8 . . ?
C1 C2 H2A 108.8 . . ?
C3 C2 H2B 108.8 . . ?
C1 C2 H2B 108.8 . . ?
H2A C2 H2B 107.7 . . ?
C7 C3 C4 107.8(7) . . ?
C7 C3 C2 127.5(8) . . ?
C4 C3 C2 124.7(8) . . ?
C7 C3 Fe1 69.7(5) . . ?
C4 C3 Fe1 69.2(5) . . ?
C2 C3 Fe1 125.6(6) . . ?
C5 C4 C3 107.6(8) . . ?
C5 C4 Fe1 69.4(5) . . ?
C3 C4 Fe1 69.9(5) . . ?
C5 C4 H4A 126.2 . . ?
C3 C4 H4A 126.2 . . ?
Fe1 C4 H4A 126.2 . . ?
C6 C5 C4 108.5(8) . . ?
C6 C5 Fe1 70.0(5) . . ?
C4 C5 Fe1 69.9(5) . . ?
C6 C5 H5A 125.8 . . ?
C4 C5 H5A 125.8 . . ?
Fe1 C5 H5A 125.8 . . ?
C5 C6 C7 107.9(8) . . ?
C5 C6 Fe1 69.4(5) . . ?
C7 C6 Fe1 69.9(5) . . ?
C5 C6 H6A 126.0 . . ?
C7 C6 H6A 126.0 . . ?
Fe1 C6 H6A 126.0 . . ?
C3 C7 C6 108.2(8) . . ?
C3 C7 Fe1 69.8(5) . . ?
C6 C7 Fe1 69.4(5) . . ?
C3 C7 H7A 125.9 . . ?
C6 C7 H7A 125.9 . . ?
Fe1 C7 H7A 125.9 . . ?
C12 C8 C9 108.6(8) . . ?
C12 C8 Fe1 69.4(5) . . ?
C9 C8 Fe1 70.2(5) . . ?
C12 C8 H8A 125.7 . . ?
C9 C8 H8A 125.7 . . ?
Fe1 C8 H8A 125.7 . . ?
C8 C9 C10 107.3(10) . . ?
C8 C9 Fe1 69.7(5) . . ?
C10 C9 Fe1 68.9(6) . . ?
C8 C9 H9A 126.3 . . ?
C10 C9 H9A 126.3 . . ?
Fe1 C9 H9A 126.3 . . ?
C11 C10 C9 108.4(9) . . ?
C11 C10 Fe1 69.6(6) . . ?
C9 C10 Fe1 70.1(5) . . ?
C11 C10 H10A 125.8 . . ?
C9 C10 H10A 125.8 . . ?
Fe1 C10 H10A 125.8 . . ?
C10 C11 C12 107.4(9) . . ?
C10 C11 Fe1 69.9(6) . . ?
C12 C11 Fe1 69.6(5) . . ?
C10 C11 H11A 126.3 . . ?
C12 C11 H11A 126.3 . . ?
Fe1 C11 H11A 126.3 . . ?
C8 C12 C11 108.3(10) . . ?
C8 C12 Fe1 70.3(5) . . ?
C11 C12 Fe1 69.4(6) . . ?
C8 C12 H12A 125.9 . . ?
C11 C12 H12A 125.9 . . ?
Fe1 C12 H12A 125.9 . . ?
C14 C13 P1 113.1(5) . . ?
C14 C13 H13A 109.0 . . ?
P1 C13 H13A 109.0 . . ?
C14 C13 H13B 109.0 . . ?
P1 C13 H13B 109.0 . . ?
H13A C13 H13B 107.8 . . ?
C15 C14 C13 112.5(7) . . ?
C15 C14 H14A 109.1 . . ?
C13 C14 H14A 109.1 . . ?
C15 C14 H14B 109.1 . . ?
C13 C14 H14B 109.1 . . ?
H14A C14 H14B 107.8 . . ?
C16 C15 C19 107.9(7) . . ?
C16 C15 C14 124.6(8) . . ?
C19 C15 C14 127.4(8) . . ?
C16 C15 Fe2 69.4(5) . . ?
C19 C15 Fe2 69.9(5) . . ?
C14 C15 Fe2 125.6(5) . . ?
C15 C16 C17 108.4(9) . . ?
C15 C16 Fe2 69.5(5) . . ?
C17 C16 Fe2 69.5(5) . . ?
C15 C16 H16A 125.8 . . ?
C17 C16 H16A 125.8 . . ?
Fe2 C16 H16A 125.8 . . ?
C18 C17 C16 107.4(8) . . ?
C18 C17 Fe2 69.7(5) . . ?
C16 C17 Fe2 69.0(5) . . ?
C18 C17 H17A 126.3 . . ?
C16 C17 H17A 126.3 . . ?
Fe2 C17 H17A 126.3 . . ?
C17 C18 C19 109.2(8) . . ?
C17 C18 Fe2 69.9(5) . . ?
C19 C18 Fe2 69.7(5) . . ?
C17 C18 H18A 125.4 . . ?
C19 C18 H18A 125.4 . . ?
Fe2 C18 H18A 125.4 . . ?
C15 C19 C18 107.0(8) . . ?
C15 C19 Fe2 68.9(5) . . ?
C18 C19 Fe2 69.0(5) . . ?
C15 C19 H19A 126.5 . . ?
C18 C19 H19A 126.5 . . ?
Fe2 C19 H19A 126.5 . . ?
C21 C20 C24 108.7(8) . . ?
C21 C20 Fe2 69.4(5) . . ?
C24 C20 Fe2 70.5(5) . . ?
C21 C20 H20A 125.6 . . ?
C24 C20 H20A 125.6 . . ?
Fe2 C20 H20A 125.6 . . ?
C22 C21 C20 107.6(9) . . ?
C22 C21 Fe2 69.3(5) . . ?
C20 C21 Fe2 69.6(5) . . ?
C22 C21 H21A 126.2 . . ?
C20 C21 H21A 126.2 . . ?
Fe2 C21 H21A 126.2 . . ?
C21 C22 C23 108.4(8) . . ?
C21 C22 Fe2 70.0(5) . . ?
C23 C22 Fe2 70.2(5) . . ?
C21 C22 H22A 125.8 . . ?
C23 C22 H22A 125.8 . . ?
Fe2 C22 H22A 125.8 . . ?
C22 C23 C24 108.4(9) . . ?
C22 C23 Fe2 68.9(5) . . ?
C24 C23 Fe2 70.3(5) . . ?
C22 C23 H23A 125.8 . . ?
C24 C23 H23A 125.8 . . ?
Fe2 C23 H23A 125.8 . . ?
C23 C24 C20 106.9(9) . . ?
C23 C24 Fe2 69.0(5) . . ?
C20 C24 Fe2 68.7(5) . . ?
C23 C24 H24A 126.5 . . ?
C20 C24 H24A 126.5 . . ?
Fe2 C24 H24A 126.5 . . ?
C26 C25 P1 111.8(5) . . ?
C26 C25 H25A 109.3 . . ?
P1 C25 H25A 109.3 . . ?
C26 C25 H25B 109.3 . . ?
P1 C25 H25B 109.3 . . ?
H25A C25 H25B 107.9 . . ?
C27 C26 C25 114.5(7) . . ?
C27 C26 H26A 108.6 . . ?
C25 C26 H26A 108.6 . . ?
C27 C26 H26B 108.6 . . ?
C25 C26 H26B 108.6 . . ?
H26A C26 H26B 107.6 . . ?
C31 C27 C28 108.7(8) . . ?
C31 C27 C26 127.0(8) . . ?
C28 C27 C26 124.2(8) . . ?
C31 C27 Fe3 69.1(5) . . ?
C28 C27 Fe3 69.1(5) . . ?
C26 C27 Fe3 126.2(6) . . ?
C27 C28 C29 106.2(9) . . ?
C27 C28 Fe3 69.6(5) . . ?
C29 C28 Fe3 68.5(6) . . ?
C27 C28 H28A 126.9 . . ?
C29 C28 H28A 126.9 . . ?
Fe3 C28 H28A 126.9 . . ?
C30 C29 C28 108.8(9) . . ?
C30 C29 Fe3 70.3(6) . . ?
C28 C29 Fe3 69.7(5) . . ?
C30 C29 H29A 125.6 . . ?
C28 C29 H29A 125.6 . . ?
Fe3 C29 H29A 125.6 . . ?
C29 C30 C31 108.7(9) . . ?
C29 C30 Fe3 69.6(6) . . ?
C31 C30 Fe3 69.1(5) . . ?
C29 C30 H30A 125.7 . . ?
C31 C30 H30A 125.7 . . ?
Fe3 C30 H30A 125.7 . . ?
C27 C31 C30 107.6(9) . . ?
C27 C31 Fe3 70.3(5) . . ?
C30 C31 Fe3 69.4(5) . . ?
C27 C31 H31A 126.2 . . ?
C30 C31 H31A 126.2 . . ?
Fe3 C31 H31A 126.2 . . ?
C36 C32 C33 109.0(9) . . ?
C36 C32 Fe3 70.5(6) . . ?
C33 C32 Fe3 69.7(6) . . ?
C36 C32 H32A 125.5 . . ?
C33 C32 H32A 125.5 . . ?
Fe3 C32 H32A 125.5 . . ?
C34 C33 C32 106.3(9) . . ?
C34 C33 Fe3 69.4(5) . . ?
C32 C33 Fe3 69.0(5) . . ?
C34 C33 H33A 126.8 . . ?
C32 C33 H33A 126.8 . . ?
Fe3 C33 H33A 126.8 . . ?
C35 C34 C33 107.8(9) . . ?
C35 C34 Fe3 69.7(5) . . ?
C33 C34 Fe3 69.5(5) . . ?
C35 C34 H34A 126.1 . . ?
C33 C34 H34A 126.1 . . ?
Fe3 C34 H34A 126.1 . . ?
C36 C35 C34 109.4(9) . . ?
C36 C35 Fe3 70.3(6) . . ?
C34 C35 Fe3 69.9(5) . . ?
C36 C35 H35A 125.3 . . ?
C34 C35 H35A 125.3 . . ?
Fe3 C35 H35A 125.3 . . ?
C32 C36 C35 107.5(10) . . ?
C32 C36 Fe3 69.2(6) . . ?
C35 C36 Fe3 69.4(6) . . ?
C32 C36 H36A 126.2 . . ?
C35 C36 H36A 126.2 . . ?
Fe3 C36 H36A 126.2 . . ?
C38 C37 P2 113.9(5) . . ?
C38 C37 H37A 108.8 . . ?
P2 C37 H37A 108.8 . . ?
C38 C37 H37B 108.8 . . ?
P2 C37 H37B 108.8 . . ?
H37A C37 H37B 107.7 . . ?
C39 C38 C37 112.6(6) . . ?
C39 C38 H38A 109.1 . . ?
C37 C38 H38A 109.1 . . ?
C39 C38 H38B 109.1 . . ?
C37 C38 H38B 109.1 . . ?
H38A C38 H38B 107.8 . . ?
C40 C39 C43 107.1(7) . . ?
C40 C39 C38 124.8(7) . . ?
C43 C39 C38 128.1(8) . . ?
C40 C39 Fe4 68.9(5) . . ?
C43 C39 Fe4 69.3(4) . . ?
C38 C39 Fe4 125.2(5) . . ?
C41 C40 C39 108.7(8) . . ?
C41 C40 Fe4 69.8(5) . . ?
C39 C40 Fe4 70.5(4) . . ?
C41 C40 H40A 125.7 . . ?
C39 C40 H40A 125.7 . . ?
Fe4 C40 H40A 125.7 . . ?
C42 C41 C40 108.2(8) . . ?
C42 C41 Fe4 70.0(5) . . ?
C40 C41 Fe4 69.4(5) . . ?
C42 C41 H41A 125.9 . . ?
C40 C41 H41A 125.9 . . ?
Fe4 C41 H41A 125.9 . . ?
C41 C42 C43 108.2(8) . . ?
C41 C42 Fe4 70.0(5) . . ?
C43 C42 Fe4 69.7(5) . . ?
C41 C42 H42A 125.9 . . ?
C43 C42 H42A 125.9 . . ?
Fe4 C42 H42A 125.9 . . ?
C39 C43 C42 107.8(8) . . ?
C39 C43 Fe4 70.0(5) . . ?
C42 C43 Fe4 69.2(5) . . ?
C39 C43 H43A 126.1 . . ?
C42 C43 H43A 126.1 . . ?
Fe4 C43 H43A 126.1 . . ?
C45 C44 C48 108.2(8) . . ?
C45 C44 Fe4 69.6(5) . . ?
C48 C44 Fe4 70.6(5) . . ?
C45 C44 H44A 125.9 . . ?
C48 C44 H44A 125.9 . . ?
Fe4 C44 H44A 125.9 . . ?
C44 C45 C46 107.9(8) . . ?
C44 C45 Fe4 69.9(5) . . ?
C46 C45 Fe4 69.5(5) . . ?
C44 C45 H45A 126.1 . . ?
C46 C45 H45A 126.1 . . ?
Fe4 C45 H45A 126.1 . . ?
C47 C46 C45 108.0(8) . . ?
C47 C46 Fe4 70.4(5) . . ?
C45 C46 Fe4 69.5(5) . . ?
C47 C46 H46A 126.0 . . ?
C45 C46 H46A 126.0 . . ?
Fe4 C46 H46A 126.0 . . ?
C48 C47 C46 107.4(7) . . ?
C48 C47 Fe4 70.2(5) . . ?
C46 C47 Fe4 68.8(5) . . ?
C48 C47 H47A 126.3 . . ?
C46 C47 H47A 126.3 . . ?
Fe4 C47 H47A 126.3 . . ?
C47 C48 C44 108.5(8) . . ?
C47 C48 Fe4 69.7(5) . . ?
C44 C48 Fe4 68.9(5) . . ?
C47 C48 H48A 125.7 . . ?
C44 C48 H48A 125.7 . . ?
Fe4 C48 H48A 125.7 . . ?
C50 C49 P2 113.6(5) . . ?
C50 C49 H49A 108.8 . . ?
P2 C49 H49A 108.8 . . ?
C50 C49 H49B 108.8 . . ?
P2 C49 H49B 108.8 . . ?
H49A C49 H49B 107.7 . . ?
C51 C50 C49 112.3(6) . . ?
C51 C50 H50A 109.1 . . ?
C49 C50 H50A 109.1 . . ?
C51 C50 H50B 109.1 . . ?
C49 C50 H50B 109.1 . . ?
H50A C50 H50B 107.9 . . ?
C55 C51 C52 107.4(7) . . ?
C55 C51 C50 128.4(7) . . ?
C52 C51 C50 124.1(8) . . ?
C55 C51 Fe5 69.9(4) . . ?
C52 C51 Fe5 68.8(4) . . ?
C50 C51 Fe5 126.3(5) . . ?
C53 C52 C51 108.1(8) . . ?
C53 C52 Fe5 69.6(5) . . ?
C51 C52 Fe5 69.6(4) . . ?
C53 C52 H52A 126.0 . . ?
C51 C52 H52A 126.0 . . ?
Fe5 C52 H52A 126.0 . . ?
C54 C53 C52 107.7(8) . . ?
C54 C53 Fe5 69.7(5) . . ?
C52 C53 Fe5 69.3(4) . . ?
C54 C53 H53A 126.1 . . ?
C52 C53 H53A 126.1 . . ?
Fe5 C53 H53A 126.1 . . ?
C53 C54 C55 108.5(8) . . ?
C53 C54 Fe5 69.5(5) . . ?
C55 C54 Fe5 69.9(4) . . ?
C53 C54 H54A 125.7 . . ?
C55 C54 H54A 125.7 . . ?
Fe5 C54 H54A 125.7 . . ?
C51 C55 C54 108.2(7) . . ?
C51 C55 Fe5 69.5(4) . . ?
C54 C55 Fe5 69.2(5) . . ?
C51 C55 H55A 125.9 . . ?
C54 C55 H55A 125.9 . . ?
Fe5 C55 H55A 125.9 . . ?
C57 C56 C60 107.8(7) . . ?
C57 C56 Fe5 69.2(5) . . ?
C60 C56 Fe5 69.2(5) . . ?
C57 C56 H56A 126.1 . . ?
C60 C56 H56A 126.1 . . ?
Fe5 C56 H56A 126.1 . . ?
C56 C57 C58 108.5(8) . . ?
C56 C57 Fe5 70.3(5) . . ?
C58 C57 Fe5 69.7(5) . . ?
C56 C57 H57A 125.7 . . ?
C58 C57 H57A 125.7 . . ?
Fe5 C57 H57A 125.7 . . ?
C59 C58 C57 107.4(8) . . ?
C59 C58 Fe5 69.4(5) . . ?
C57 C58 Fe5 69.3(5) . . ?
C59 C58 H58A 126.3 . . ?
C57 C58 H58A 126.3 . . ?
Fe5 C58 H58A 126.3 . . ?
C58 C59 C60 109.1(8) . . ?
C58 C59 Fe5 70.1(5) . . ?
C60 C59 Fe5 69.9(4) . . ?
C58 C59 H59A 125.4 . . ?
C60 C59 H59A 125.4 . . ?
Fe5 C59 H59A 125.4 . . ?
C59 C60 C56 107.2(8) . . ?
C59 C60 Fe5 69.2(4) . . ?
C56 C60 Fe5 69.9(5) . . ?
C59 C60 H60A 126.4 . . ?
C56 C60 H60A 126.4 . . ?
Fe5 C60 H60A 126.4 . . ?
C62 C61 P2 111.9(5) . . ?
C62 C61 H61A 109.2 . . ?
P2 C61 H61A 109.2 . . ?
C62 C61 H61B 109.2 . . ?
P2 C61 H61B 109.2 . . ?
H61A C61 H61B 107.9 . . ?
C63 C62 C61 114.2(7) . . ?
C63 C62 H62A 108.7 . . ?
C61 C62 H62A 108.7 . . ?
C63 C62 H62B 108.7 . . ?
C61 C62 H62B 108.7 . . ?
H62A C62 H62B 107.6 . . ?
C64 C63 C67 109.6(8) . . ?
C64 C63 C62 127.7(8) . . ?
C67 C63 C62 122.7(9) . . ?
C64 C63 Fe6 70.4(5) . . ?
C67 C63 Fe6 69.4(5) . . ?
C62 C63 Fe6 126.7(6) . . ?
C63 C64 C65 107.1(9) . . ?
C63 C64 Fe6 69.5(5) . . ?
C65 C64 Fe6 68.4(5) . . ?
C63 C64 H64A 126.5 . . ?
C65 C64 H64A 126.5 . . ?
Fe6 C64 H64A 126.5 . . ?
C66 C65 C64 107.9(9) . . ?
C66 C65 Fe6 69.6(5) . . ?
C64 C65 Fe6 69.9(5) . . ?
C66 C65 H65A 126.0 . . ?
C64 C65 H65A 126.0 . . ?
Fe6 C65 H65A 126.0 . . ?
C65 C66 C67 109.3(9) . . ?
C65 C66 Fe6 69.8(6) . . ?
C67 C66 Fe6 70.1(5) . . ?
C65 C66 H66A 125.3 . . ?
C67 C66 H66A 125.3 . . ?
Fe6 C66 H66A 125.3 . . ?
C66 C67 C63 106.1(9) . . ?
C66 C67 Fe6 68.8(5) . . ?
C63 C67 Fe6 69.1(5) . . ?
C66 C67 H67A 126.9 . . ?
C63 C67 H67A 126.9 . . ?
Fe6 C67 H67A 126.9 . . ?
C69 C68 C72 109.3(9) . . ?
C69 C68 Fe6 70.1(5) . . ?
C72 C68 Fe6 69.7(5) . . ?
C69 C68 H68A 125.3 . . ?
C72 C68 H68A 125.3 . . ?
Fe6 C68 H68A 125.3 . . ?
C68 C69 C70 106.3(10) . . ?
C68 C69 Fe6 69.5(6) . . ?
C70 C69 Fe6 69.0(5) . . ?
C68 C69 H69A 126.8 . . ?
C70 C69 H69A 126.8 . . ?
Fe6 C69 H69A 126.8 . . ?
C71 C70 C69 109.9(9) . . ?
C71 C70 Fe6 70.3(5) . . ?
C69 C70 Fe6 70.2(5) . . ?
C71 C70 H70A 125.1 . . ?
C69 C70 H70A 125.1 . . ?
Fe6 C70 H70A 125.1 . . ?
C70 C71 C72 106.9(9) . . ?
C70 C71 Fe6 69.2(5) . . ?
C72 C71 Fe6 69.4(5) . . ?
C70 C71 H71A 126.5 . . ?
C72 C71 H71A 126.5 . . ?
Fe6 C71 H71A 126.5 . . ?
C68 C72 C71 107.5(10) . . ?
C68 C72 Fe6 69.6(5) . . ?
C71 C72 Fe6 69.7(5) . . ?
C68 C72 H72A 126.2 . . ?
C71 C72 H72A 126.2 . . ?
Fe6 C72 H72A 126.2 . . ?
C1S O1S C4S 103.7(9) . . ?
O1S C1S C2S 107.4(9) . . ?
O1S C1S H02G 110.2 . . ?
C2S C1S H02G 110.2 . . ?
O1S C1S H02H 110.2 . . ?
C2S C1S H02H 110.2 . . ?
H02G C1S H02H 108.5 . . ?
C1S C2S C3S 100.3(10) . . ?
C1S C2S H02E 111.7 . . ?
C3S C2S H02E 111.7 . . ?
C1S C2S H02F 111.7 . . ?
C3S C2S H02F 111.7 . . ?
H02E C2S H02F 109.5 . . ?
C4S C3S C2S 105.7(10) . . ?
C4S C3S H02A 110.6 . . ?
C2S C3S H02A 110.6 . . ?
C4S C3S H02B 110.6 . . ?
C2S C3S H02B 110.6 . . ?
H02A C3S H02B 108.7 . . ?
O1S C4S C3S 105.8(10) . . ?
O1S C4S H02C 110.6 . . ?
C3S C4S H02C 110.6 . . ?
O1S C4S H02D 110.6 . . ?
C3S C4S H02D 110.6 . . ?
H02C C4S H02D 108.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C13 P1 C1 C2 163.6(6) . . . . ?
C25 P1 C1 C2 -87.2(6) . . . . ?
Au1 P1 C1 C2 40.2(6) . . . . ?
P1 C1 C2 C3 169.5(6) . . . . ?
C1 C2 C3 C7 11.2(12) . . . . ?
C1 C2 C3 C4 -167.4(8) . . . . ?
C1 C2 C3 Fe1 -79.5(9) . . . . ?
C7 C3 C4 C5 0.2(9) . . . . ?
C2 C3 C4 C5 179.0(8) . . . . ?
Fe1 C3 C4 C5 59.4(6) . . . . ?
C7 C3 C4 Fe1 -59.2(6) . . . . ?
C2 C3 C4 Fe1 119.6(8) . . . . ?
C3 C4 C5 C6 -0.2(10) . . . . ?
Fe1 C4 C5 C6 59.6(6) . . . . ?
C3 C4 C5 Fe1 -59.7(6) . . . . ?
C4 C5 C6 C7 0.1(10) . . . . ?
Fe1 C5 C6 C7 59.6(6) . . . . ?
C4 C5 C6 Fe1 -59.5(6) . . . . ?
C4 C3 C7 C6 -0.1(10) . . . . ?
C2 C3 C7 C6 -178.9(8) . . . . ?
Fe1 C3 C7 C6 -59.0(6) . . . . ?
C4 C3 C7 Fe1 58.9(6) . . . . ?
C2 C3 C7 Fe1 -119.9(8) . . . . ?
C5 C6 C7 C3 0.0(10) . . . . ?
Fe1 C6 C7 C3 59.3(6) . . . . ?
C5 C6 C7 Fe1 -59.2(6) . . . . ?
C12 C8 C9 C10 0.1(10) . . . . ?
Fe1 C8 C9 C10 -58.9(6) . . . . ?
C12 C8 C9 Fe1 59.0(6) . . . . ?
C8 C9 C10 C11 0.0(11) . . . . ?
Fe1 C9 C10 C11 -59.3(7) . . . . ?
C8 C9 C10 Fe1 59.4(6) . . . . ?
C9 C10 C11 C12 -0.2(11) . . . . ?
Fe1 C10 C11 C12 -59.8(7) . . . . ?
C9 C10 C11 Fe1 59.7(7) . . . . ?
C9 C8 C12 C11 -0.2(10) . . . . ?
Fe1 C8 C12 C11 59.2(7) . . . . ?
C9 C8 C12 Fe1 -59.4(6) . . . . ?
C10 C11 C12 C8 0.2(11) . . . . ?
Fe1 C11 C12 C8 -59.8(7) . . . . ?
C10 C11 C12 Fe1 60.0(7) . . . . ?
C1 P1 C13 C14 -77.6(6) . . . . ?
C25 P1 C13 C14 171.6(5) . . . . ?
Au1 P1 C13 C14 47.6(6) . . . . ?
P1 C13 C14 C15 170.8(5) . . . . ?
C13 C14 C15 C16 -161.8(7) . . . . ?
C13 C14 C15 C19 17.3(11) . . . . ?
C13 C14 C15 Fe2 -73.6(9) . . . . ?
C19 C15 C16 C17 -0.7(9) . . . . ?
C14 C15 C16 C17 178.5(7) . . . . ?
Fe2 C15 C16 C17 58.8(6) . . . . ?
C19 C15 C16 Fe2 -59.5(6) . . . . ?
C14 C15 C16 Fe2 119.7(7) . . . . ?
C15 C16 C17 C18 0.5(10) . . . . ?
Fe2 C16 C17 C18 59.3(6) . . . . ?
C15 C16 C17 Fe2 -58.8(6) . . . . ?
C16 C17 C18 C19 -0.1(10) . . . . ?
Fe2 C17 C18 C19 58.7(6) . . . . ?
C16 C17 C18 Fe2 -58.8(6) . . . . ?
C16 C15 C19 C18 0.6(9) . . . . ?
C14 C15 C19 C18 -178.6(7) . . . . ?
Fe2 C15 C19 C18 -58.6(6) . . . . ?
C16 C15 C19 Fe2 59.2(6) . . . . ?
C14 C15 C19 Fe2 -120.0(8) . . . . ?
C17 C18 C19 C15 -0.3(10) . . . . ?
Fe2 C18 C19 C15 58.5(5) . . . . ?
C17 C18 C19 Fe2 -58.8(6) . . . . ?
C24 C20 C21 C22 0.7(10) . . . . ?
Fe2 C20 C21 C22 -59.1(6) . . . . ?
C24 C20 C21 Fe2 59.8(6) . . . . ?
C20 C21 C22 C23 -0.6(10) . . . . ?
Fe2 C21 C22 C23 -59.9(6) . . . . ?
C20 C21 C22 Fe2 59.2(6) . . . . ?
C21 C22 C23 C24 0.3(10) . . . . ?
Fe2 C22 C23 C24 -59.4(6) . . . . ?
C21 C22 C23 Fe2 59.8(6) . . . . ?
C22 C23 C24 C20 0.1(9) . . . . ?
Fe2 C23 C24 C20 -58.4(6) . . . . ?
C22 C23 C24 Fe2 58.5(6) . . . . ?
C21 C20 C24 C23 -0.5(10) . . . . ?
Fe2 C20 C24 C23 58.6(6) . . . . ?
C21 C20 C24 Fe2 -59.1(6) . . . . ?
C13 P1 C25 C26 -75.7(6) . . . . ?
C1 P1 C25 C26 173.5(5) . . . . ?
Au1 P1 C25 C26 46.3(6) . . . . ?
P1 C25 C26 C27 163.6(5) . . . . ?
C25 C26 C27 C31 6.4(12) . . . . ?
C25 C26 C27 C28 -171.4(7) . . . . ?
C25 C26 C27 Fe3 -83.6(9) . . . . ?
C31 C27 C28 C29 1.2(10) . . . . ?
C26 C27 C28 C29 179.3(7) . . . . ?
Fe3 C27 C28 C29 59.0(6) . . . . ?
C31 C27 C28 Fe3 -57.8(6) . . . . ?
C26 C27 C28 Fe3 120.3(8) . . . . ?
C27 C28 C29 C30 0.0(10) . . . . ?
Fe3 C28 C29 C30 59.7(7) . . . . ?
C27 C28 C29 Fe3 -59.7(6) . . . . ?
C28 C29 C30 C31 -1.1(11) . . . . ?
Fe3 C29 C30 C31 58.2(6) . . . . ?
C28 C29 C30 Fe3 -59.3(6) . . . . ?
C28 C27 C31 C30 -1.8(10) . . . . ?
C26 C27 C31 C30 -179.9(8) . . . . ?
Fe3 C27 C31 C30 -59.6(6) . . . . ?
C28 C27 C31 Fe3 57.8(6) . . . . ?
C26 C27 C31 Fe3 -120.3(8) . . . . ?
C29 C30 C31 C27 1.8(10) . . . . ?
Fe3 C30 C31 C27 60.3(6) . . . . ?
C29 C30 C31 Fe3 -58.4(7) . . . . ?
C36 C32 C33 C34 -0.1(10) . . . . ?
Fe3 C32 C33 C34 59.6(6) . . . . ?
C36 C32 C33 Fe3 -59.8(7) . . . . ?
C32 C33 C34 C35 0.0(10) . . . . ?
Fe3 C33 C34 C35 59.4(6) . . . . ?
C32 C33 C34 Fe3 -59.4(6) . . . . ?
C33 C34 C35 C36 0.1(10) . . . . ?
Fe3 C34 C35 C36 59.4(7) . . . . ?
C33 C34 C35 Fe3 -59.3(6) . . . . ?
C33 C32 C36 C35 0.2(11) . . . . ?
Fe3 C32 C36 C35 -59.0(7) . . . . ?
C33 C32 C36 Fe3 59.2(7) . . . . ?
C34 C35 C36 C32 -0.2(11) . . . . ?
Fe3 C35 C36 C32 58.9(7) . . . . ?
C34 C35 C36 Fe3 -59.1(7) . . . . ?
C49 P2 C37 C38 73.4(6) . . . . ?
C61 P2 C37 C38 -176.0(5) . . . . ?
Au2 P2 C37 C38 -50.1(6) . . . . ?
P2 C37 C38 C39 -165.8(5) . . . . ?
C37 C38 C39 C40 169.6(7) . . . . ?
C37 C38 C39 C43 -8.0(11) . . . . ?
C37 C38 C39 Fe4 82.2(8) . . . . ?
C43 C39 C40 C41 -0.5(9) . . . . ?
C38 C39 C40 C41 -178.5(7) . . . . ?
Fe4 C39 C40 C41 -59.6(6) . . . . ?
C43 C39 C40 Fe4 59.1(5) . . . . ?
C38 C39 C40 Fe4 -118.9(7) . . . . ?
C39 C40 C41 C42 0.5(9) . . . . ?
Fe4 C40 C41 C42 -59.4(6) . . . . ?
C39 C40 C41 Fe4 60.0(6) . . . . ?
C40 C41 C42 C43 -0.4(9) . . . . ?
Fe4 C41 C42 C43 -59.4(6) . . . . ?
C40 C41 C42 Fe4 59.1(6) . . . . ?
C40 C39 C43 C42 0.3(9) . . . . ?
C38 C39 C43 C42 178.2(7) . . . . ?
Fe4 C39 C43 C42 59.1(5) . . . . ?
C40 C39 C43 Fe4 -58.8(5) . . . . ?
C38 C39 C43 Fe4 119.1(8) . . . . ?
C41 C42 C43 C39 0.1(9) . . . . ?
Fe4 C42 C43 C39 -59.6(5) . . . . ?
C41 C42 C43 Fe4 59.6(6) . . . . ?
C48 C44 C45 C46 -1.0(10) . . . . ?
Fe4 C44 C45 C46 59.4(6) . . . . ?
C48 C44 C45 Fe4 -60.4(6) . . . . ?
C44 C45 C46 C47 0.5(10) . . . . ?
Fe4 C45 C46 C47 60.1(6) . . . . ?
C44 C45 C46 Fe4 -59.7(6) . . . . ?
C45 C46 C47 C48 0.2(9) . . . . ?
Fe4 C46 C47 C48 59.8(6) . . . . ?
C45 C46 C47 Fe4 -59.6(6) . . . . ?
C46 C47 C48 C44 -0.8(9) . . . . ?
Fe4 C47 C48 C44 58.1(6) . . . . ?
C46 C47 C48 Fe4 -58.9(6) . . . . ?
C45 C44 C48 C47 1.1(9) . . . . ?
Fe4 C44 C48 C47 -58.6(6) . . . . ?
C45 C44 C48 Fe4 59.7(6) . . . . ?
C37 P2 C49 C50 -168.5(5) . . . . ?
C61 P2 C49 C50 82.6(6) . . . . ?
Au2 P2 C49 C50 -43.0(6) . . . . ?
P2 C49 C50 C51 -169.8(5) . . . . ?
C49 C50 C51 C55 -18.7(11) . . . . ?
C49 C50 C51 C52 161.0(7) . . . . ?
C49 C50 C51 Fe5 73.5(8) . . . . ?
C55 C51 C52 C53 0.2(9) . . . . ?
C50 C51 C52 C53 -179.6(7) . . . . ?
Fe5 C51 C52 C53 -59.2(6) . . . . ?
C55 C51 C52 Fe5 59.5(5) . . . . ?
C50 C51 C52 Fe5 -120.3(7) . . . . ?
C51 C52 C53 C54 -0.1(9) . . . . ?
Fe5 C52 C53 C54 -59.3(6) . . . . ?
C51 C52 C53 Fe5 59.2(5) . . . . ?
C52 C53 C54 C55 -0.1(9) . . . . ?
Fe5 C53 C54 C55 -59.2(5) . . . . ?
C52 C53 C54 Fe5 59.1(6) . . . . ?
C52 C51 C55 C54 -0.3(8) . . . . ?
C50 C51 C55 C54 179.5(7) . . . . ?
Fe5 C51 C55 C54 58.5(5) . . . . ?
C52 C51 C55 Fe5 -58.8(5) . . . . ?
C50 C51 C55 Fe5 120.9(8) . . . . ?
C53 C54 C55 C51 0.2(9) . . . . ?
Fe5 C54 C55 C51 -58.7(5) . . . . ?
C53 C54 C55 Fe5 58.9(6) . . . . ?
C60 C56 C57 C58 0.8(9) . . . . ?
Fe5 C56 C57 C58 59.4(6) . . . . ?
C60 C56 C57 Fe5 -58.6(6) . . . . ?
C56 C57 C58 C59 -0.5(9) . . . . ?
Fe5 C57 C58 C59 59.2(6) . . . . ?
C56 C57 C58 Fe5 -59.8(6) . . . . ?
C57 C58 C59 C60 0.0(9) . . . . ?
Fe5 C58 C59 C60 59.2(5) . . . . ?
C57 C58 C59 Fe5 -59.2(6) . . . . ?
C58 C59 C60 C56 0.5(9) . . . . ?
Fe5 C59 C60 C56 59.8(5) . . . . ?
C58 C59 C60 Fe5 -59.3(6) . . . . ?
C57 C56 C60 C59 -0.8(9) . . . . ?
Fe5 C56 C60 C59 -59.4(5) . . . . ?
C57 C56 C60 Fe5 58.6(6) . . . . ?
C49 P2 C61 C62 -171.6(5) . . . . ?
C37 P2 C61 C62 79.0(6) . . . . ?
Au2 P2 C61 C62 -47.4(6) . . . . ?
P2 C61 C62 C63 -162.4(5) . . . . ?
C61 C62 C63 C64 -11.1(12) . . . . ?
C61 C62 C63 C67 169.2(7) . . . . ?
C61 C62 C63 Fe6 81.7(9) . . . . ?
C67 C63 C64 C65 -0.3(10) . . . . ?
C62 C63 C64 C65 180.0(8) . . . . ?
Fe6 C63 C64 C65 58.3(6) . . . . ?
C67 C63 C64 Fe6 -58.5(6) . . . . ?
C62 C63 C64 Fe6 121.7(8) . . . . ?
C63 C64 C65 C66 0.5(10) . . . . ?
Fe6 C64 C65 C66 59.4(6) . . . . ?
C63 C64 C65 Fe6 -59.0(6) . . . . ?
C64 C65 C66 C67 -0.5(10) . . . . ?
Fe6 C65 C66 C67 59.2(6) . . . . ?
C64 C65 C66 Fe6 -59.7(6) . . . . ?
C65 C66 C67 C63 0.3(10) . . . . ?
Fe6 C66 C67 C63 59.3(6) . . . . ?
C65 C66 C67 Fe6 -59.0(6) . . . . ?
C64 C63 C67 C66 0.0(9) . . . . ?
C62 C63 C67 C66 179.7(7) . . . . ?
Fe6 C63 C67 C66 -59.1(6) . . . . ?
C64 C63 C67 Fe6 59.1(6) . . . . ?
C62 C63 C67 Fe6 -121.1(7) . . . . ?
C72 C68 C69 C70 0.7(10) . . . . ?
Fe6 C68 C69 C70 59.5(6) . . . . ?
C72 C68 C69 Fe6 -58.8(6) . . . . ?
C68 C69 C70 C71 -0.6(10) . . . . ?
Fe6 C69 C70 C71 59.2(6) . . . . ?
C68 C69 C70 Fe6 -59.8(6) . . . . ?
C69 C70 C71 C72 0.3(10) . . . . ?
Fe6 C70 C71 C72 59.4(6) . . . . ?
C69 C70 C71 Fe6 -59.2(6) . . . . ?
C69 C68 C72 C71 -0.5(10) . . . . ?
Fe6 C68 C72 C71 -59.5(6) . . . . ?
C69 C68 C72 Fe6 59.0(6) . . . . ?
C70 C71 C72 C68 0.2(10) . . . . ?
Fe6 C71 C72 C68 59.5(6) . . . . ?
C70 C71 C72 Fe6 -59.3(6) . . . . ?
C4S O1S C1S C2S 43.1(14) . . . . ?
O1S C1S C2S C3S -31.8(15) . . . . ?
C1S C2S C3S C4S 9.1(15) . . . . ?
C1S O1S C4S C3S -35.5(13) . . . . ?
C2S C3S C4S O1S 15.3(14) . . . . ?

_refine_diff_density_max         4.890
_refine_diff_density_min         -1.670
_refine_diff_density_rms         0.239

_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Bruker Apex2'
_diffrn_measurement_device       'κ-geometry diffractometer'

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_b15207
_database_code_depnum_ccdc_archive 'CCDC 1429844'
_audit_update_record             
;
2015-10-06 deposited with the CCDC.
2016-01-06 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C147 H162 Ag4 Cl10 Fe12 P4'
_chemical_formula_weight         3508.82
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.755(3)
_cell_length_b                   16.972(3)
_cell_length_c                   26.793(6)
_cell_angle_alpha                88.850(10)
_cell_angle_beta                 83.595(6)
_cell_angle_gamma                65.477(7)
_cell_volume                     6885(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    110
_cell_measurement_reflns_used    9736
_cell_measurement_theta_min      2.53
_cell_measurement_theta_max      40.39
_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_F_000             3548
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.439
_exptl_crystal_size_mid          0.423
_exptl_crystal_size_min          0.340
_exptl_absorpt_coefficient_mu    2.066
_shelx_estimated_absorpt_T_min   0.464
_shelx_estimated_absorpt_T_max   0.540
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6531
_exptl_absorpt_correction_T_max  0.748
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      110
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            268846
_diffrn_reflns_av_unetI/netI     0.0219
_diffrn_reflns_av_R_equivalents  0.0240
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_theta_min         1.319
_diffrn_reflns_theta_max         34.500
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             57583
_reflns_number_gt                49363
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       Apex2
_computing_cell_refinement       SAINT
_computing_data_reduction        SAINT
_computing_structure_solution    SHELXT
_computing_structure_refinement  SHELXL-2014
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0510P)²+3.7172P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         57583
_refine_ls_number_parameters     1946
_refine_ls_number_restraints     171
_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_gt           0.0296
_refine_ls_wR_factor_ref         0.0988
_refine_ls_wR_factor_gt          0.0848
_refine_ls_goodness_of_fit_ref   1.145
_refine_ls_restrained_S_all      1.151
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.62718(2) 0.37297(2) 0.20362(2) 0.01901(3) Uani 1 1 d . . . . .
Ag2 Ag 0.71487(2) 0.34222(2) 0.32504(2) 0.02275(3) Uani 1 1 d . . . . .
Ag3 Ag 0.87161(2) 0.29835(2) 0.21878(2) 0.01998(3) Uani 1 1 d . . . . .
Ag4 Ag 0.74962(2) 0.16050(2) 0.23511(2) 0.01821(2) Uani 1 1 d . . . . .
Fe1 Fe 0.56393(2) 0.17971(2) 0.00141(2) 0.01953(5) Uani 1 1 d . . . . .
Fe2 Fe 0.23053(2) 0.54963(2) 0.10388(2) 0.01285(4) Uani 1 1 d . . . . .
Fe3 Fe 0.79287(2) 0.65555(2) 0.12131(2) 0.01529(4) Uani 1 1 d . . . . .
Fe5 Fe 0.44297(2) 0.71674(2) 0.25863(2) 0.01835(4) Uani 1 1 d . . . . .
Fe7 Fe 1.06697(2) 0.23556(2) 0.03133(2) 0.01293(4) Uani 1 1 d . . . . .
Fe8 Fe 1.11690(2) 0.07482(2) 0.35628(2) 0.02231(5) Uani 1 1 d . . . . .
Fe10 Fe 1.04819(2) -0.08886(2) 0.16002(2) 0.01722(4) Uani 1 1 d . . . . .
Fe11 Fe 0.40125(2) 0.08713(2) 0.17068(2) 0.01516(4) Uani 1 1 d . . . . .
Cl1 Cl 0.72507(2) 0.44171(3) 0.24497(2) 0.01765(6) Uani 1 1 d . . . . .
Cl2 Cl 0.59670(2) 0.30046(3) 0.27970(2) 0.01709(6) Uani 1 1 d . . . . .
Cl3 Cl 0.81275(2) 0.22473(3) 0.16153(2) 0.01762(6) Uani 1 1 d . . . . .
Cl4 Cl 0.84027(2) 0.19841(3) 0.29770(2) 0.01680(6) Uani 1 1 d . . . . .
P1 P 0.61853(2) 0.40872(2) 0.11763(2) 0.01132(6) Uani 1 1 d . . . . .
P2 P 0.64824(3) 0.43944(3) 0.39512(2) 0.01655(7) Uani 1 1 d . . . . .
P3 P 0.99594(2) 0.32957(3) 0.22446(2) 0.01343(6) Uani 1 1 d . . . . .
P4 P 0.71799(2) 0.03585(3) 0.23596(2) 0.01370(6) Uani 1 1 d . . . . .
C1 C 0.64956(10) 0.31520(10) 0.07473(6) 0.0157(3) Uani 1 1 d . . . . .
H1A H 0.6217 0.3356 0.0435 0.019 Uiso 1 1 calc R U . . .
H1B H 0.7144 0.2898 0.0657 0.019 Uiso 1 1 calc R U . . .
C2 C 0.62299(10) 0.24454(10) 0.09614(6) 0.0156(3) Uani 1 1 d . . . . .
H2A H 0.6569 0.2184 0.1247 0.019 Uiso 1 1 calc R U . . .
H2B H 0.5595 0.2710 0.1091 0.019 Uiso 1 1 calc R U . . .
C3 C 0.63904(10) 0.17440(10) 0.05781(6) 0.0149(2) Uani 1 1 d . . . . .
C4 C 0.60523(11) 0.10966(11) 0.06346(6) 0.0180(3) Uani 1 1 d . . . . .
H4A H 0.5660 0.1043 0.0931 0.022 Uiso 1 1 calc R U . . .
C5 C 0.63560(12) 0.05479(11) 0.01950(7) 0.0213(3) Uani 1 1 d . . . . .
H5A H 0.6219 0.0042 0.0130 0.026 Uiso 1 1 calc R U . . .
C6 C 0.68845(12) 0.08508(12) -0.01368(8) 0.0233(3) Uani 1 1 d . . . . .
H6A H 0.7184 0.0596 -0.0476 0.028 Uiso 1 1 calc R U . . .
C7 C 0.69108(12) 0.15841(12) 0.01004(7) 0.0227(3) Uani 1 1 d . . . . .
H7A H 0.7227 0.1936 -0.0047 0.027 Uiso 1 1 calc R U . . .
C8 C 0.4576(5) 0.2972(4) 0.0040(2) 0.037(2) Uani 0.5 1 d D . P A 1
H8A H 0.4469 0.3480 0.0263 0.045 Uiso 0.5 1 calc R U P A 1
C9 C 0.5069(5) 0.2777(4) -0.0445(3) 0.0331(15) Uani 0.5 1 d D . P A 1
H9A H 0.5354 0.3131 -0.0626 0.040 Uiso 0.5 1 calc R U P A 1
C10 C 0.5037(8) 0.2016(6) -0.0637(3) 0.0252(14) Uani 0.5 1 d D . P A 1
H10A H 0.5319 0.1728 -0.0973 0.030 Uiso 0.5 1 calc R U P A 1
C11 C 0.4548(5) 0.1726(4) -0.0266(2) 0.0253(10) Uani 0.5 1 d D . P A 1
H11A H 0.4437 0.1194 -0.0292 0.030 Uiso 0.5 1 calc R U P A 1
C12 C 0.4256(6) 0.2325(5) 0.0150(2) 0.0339(14) Uani 0.5 1 d D . P A 1
H12A H 0.3905 0.2286 0.0470 0.041 Uiso 0.5 1 calc R U P A 1
C8A C 0.4833(6) 0.3109(5) -0.0068(3) 0.051(2) Uani 0.5 1 d D . P A 2
H8AA H 0.4847 0.3606 0.0119 0.061 Uiso 0.5 1 calc R U P A 2
C9A C 0.5328(5) 0.2743(5) -0.0539(3) 0.0362(15) Uani 0.5 1 d D . P A 2
H9AA H 0.5752 0.2937 -0.0739 0.043 Uiso 0.5 1 calc R U P A 2
C10A C 0.5152(9) 0.2021(7) -0.0658(3) 0.045(3) Uani 0.5 1 d D . P A 2
H10B H 0.5406 0.1637 -0.0966 0.054 Uiso 0.5 1 calc R U P A 2
C11A C 0.4539(7) 0.1949(6) -0.0266(4) 0.061(3) Uani 0.5 1 d D . P A 2
H11B H 0.4272 0.1518 -0.0255 0.073 Uiso 0.5 1 calc R U P A 2
C12A C 0.4357(6) 0.2611(6) 0.0103(3) 0.061(3) Uani 0.5 1 d D . P A 2
H12B H 0.3947 0.2722 0.0421 0.073 Uiso 0.5 1 calc R U P A 2
C13 C 0.51798(9) 0.49088(10) 0.09583(6) 0.0143(2) Uani 1 1 d . . . . .
H13A H 0.5088 0.5485 0.1089 0.017 Uiso 1 1 calc R U . . .
H13B H 0.5263 0.4917 0.0587 0.017 Uiso 1 1 calc R U . . .
C14 C 0.43503(9) 0.47557(10) 0.11218(6) 0.0150(2) Uani 1 1 d . . . . .
H14A H 0.4431 0.4187 0.0985 0.018 Uiso 1 1 calc R U . . .
H14B H 0.4267 0.4740 0.1493 0.018 Uiso 1 1 calc R U . . .
C15 C 0.35417(9) 0.54527(10) 0.09433(6) 0.0136(2) Uani 1 1 d . . . . .
C16 C 0.29464(10) 0.62313(11) 0.12118(6) 0.0164(3) Uani 1 1 d . . . . .
H16A H 0.2991 0.6408 0.1558 0.020 Uiso 1 1 calc R U . . .
C17 C 0.22650(10) 0.67037(11) 0.09058(7) 0.0181(3) Uani 1 1 d . . . . .
H17A H 0.1749 0.7266 0.1002 0.022 Uiso 1 1 calc R U . . .
C18 C 0.24357(10) 0.62316(11) 0.04464(6) 0.0182(3) Uani 1 1 d . . . . .
H18A H 0.2065 0.6403 0.0161 0.022 Uiso 1 1 calc R U . . .
C19 C 0.32277(10) 0.54621(11) 0.04660(6) 0.0171(3) Uani 1 1 d . . . . .
H19A H 0.3508 0.5001 0.0195 0.021 Uiso 1 1 calc R U . . .
C20 C 0.23822(12) 0.44732(13) 0.14746(9) 0.0282(4) Uani 1 1 d . . . . .
H20A H 0.2911 0.4076 0.1634 0.034 Uiso 1 1 calc R U . . .
C21 C 0.17030(13) 0.52577(14) 0.16945(8) 0.0278(4) Uani 1 1 d . . . . .
H21A H 0.1673 0.5508 0.2034 0.033 Uiso 1 1 calc R U . . .
C22 C 0.10810(11) 0.56248(13) 0.13417(8) 0.0262(4) Uani 1 1 d . . . . .
H22A H 0.0538 0.6180 0.1390 0.031 Uiso 1 1 calc R U . . .
C23 C 0.13722(11) 0.50712(13) 0.09040(9) 0.0268(4) Uani 1 1 d . . . . .
H23A H 0.1068 0.5167 0.0593 0.032 Uiso 1 1 calc R U . . .
C24 C 0.21772(12) 0.43609(12) 0.09867(9) 0.0281(4) Uani 1 1 d . . . . .
H24A H 0.2538 0.3870 0.0744 0.034 Uiso 1 1 calc R U . . .
C25 C 0.70187(9) 0.44813(10) 0.09540(6) 0.0145(2) Uani 1 1 d . . . . .
H25A H 0.7596 0.4066 0.1049 0.017 Uiso 1 1 calc R U . . .
H25B H 0.7067 0.4492 0.0583 0.017 Uiso 1 1 calc R U . . .
C26 C 0.68350(9) 0.53869(10) 0.11582(6) 0.0145(2) Uani 1 1 d . . . . .
H26A H 0.6346 0.5833 0.0998 0.017 Uiso 1 1 calc R U . . .
H26B H 0.6663 0.5428 0.1526 0.017 Uiso 1 1 calc R U . . .
C27 C 0.76570(9) 0.55301(10) 0.10434(6) 0.0150(2) Uani 1 1 d . . . . .
C28 C 0.79177(11) 0.58718(11) 0.05959(7) 0.0188(3) Uani 1 1 d . . . . .
H28A H 0.7556 0.6113 0.0312 0.023 Uiso 1 1 calc R U . . .
C29 C 0.87859(11) 0.58172(11) 0.06274(8) 0.0239(3) Uani 1 1 d . . . . .
H29A H 0.9136 0.6015 0.0369 0.029 Uiso 1 1 calc R U . . .
C30 C 0.90630(10) 0.54388(11) 0.10922(8) 0.0246(4) Uani 1 1 d . . . . .
H30A H 0.9640 0.5324 0.1218 0.030 Uiso 1 1 calc R U . . .
C31 C 0.83656(10) 0.52584(11) 0.13488(7) 0.0193(3) Uani 1 1 d . . . . .
H31A H 0.8369 0.4997 0.1687 0.023 Uiso 1 1 calc R U . . .
C32 C 0.67926(12) 0.74464(13) 0.15909(8) 0.0266(4) Uani 1 1 d . . . . .
H32A H 0.6231 0.7375 0.1678 0.032 Uiso 1 1 calc R U . . .
C33 C 0.70259(12) 0.78014(12) 0.11424(8) 0.0246(3) Uani 1 1 d . . . . .
H33A H 0.6657 0.8023 0.0859 0.030 Uiso 1 1 calc R U . . .
C34 C 0.78776(12) 0.77832(11) 0.11666(7) 0.0213(3) Uani 1 1 d . . . . .
H34A H 0.8213 0.7988 0.0903 0.026 Uiso 1 1 calc R U . . .
C35 C 0.81709(12) 0.74122(11) 0.16314(7) 0.0215(3) Uani 1 1 d . . . . .
H35A H 0.8750 0.7311 0.1750 0.026 Uiso 1 1 calc R U . . .
C36 C 0.75027(13) 0.72036(13) 0.18952(8) 0.0250(3) Uani 1 1 d . . . . .
H36A H 0.7526 0.6935 0.2232 0.030 Uiso 1 1 calc R U . . .
C37 C 0.5484(3) 0.4314(3) 0.42561(18) 0.0214(7) Uani 0.5 1 d . . P B 1
H37A H 0.5310 0.4630 0.4585 0.026 Uiso 0.5 1 calc R U P B 1
H37B H 0.4997 0.4597 0.4046 0.026 Uiso 0.5 1 calc R U P B 1
C38 C 0.5610(2) 0.3381(2) 0.43382(15) 0.0223(6) Uani 0.5 1 d . . P B 1
H38A H 0.6082 0.3093 0.4558 0.027 Uiso 0.5 1 calc R U P B 1
H38B H 0.5782 0.3054 0.4013 0.027 Uiso 0.5 1 calc R U P B 1
Fe4 Fe 0.43786(9) 0.23836(9) 0.46404(3) 0.01608(15) Uani 0.5 1 d . . P B 1
C39 C 0.47085(11) 0.34010(13) 0.45928(8) 0.0281(4) Uani 0.5 1 d D . P B 1
C40 C 0.37546(17) 0.37000(19) 0.46564(12) 0.0202(6) Uani 0.5 1 d D . P B 1
H40A H 0.3336 0.4064 0.4420 0.024 Uiso 0.5 1 calc R U P B 1
C41 C 0.35437(15) 0.33008(17) 0.50898(11) 0.0565(9) Uani 0.5 1 d D . P B 1
H41A H 0.2935 0.3361 0.5213 0.068 Uiso 0.5 1 calc R U P B 1
C42 C 0.4287(2) 0.2864(2) 0.53411(11) 0.0248(7) Uani 0.5 1 d D . P B 1
H42A H 0.4311 0.2551 0.5663 0.030 Uiso 0.5 1 calc R U P B 1
C43 C 0.50063(19) 0.29235(19) 0.50361(11) 0.0216(6) Uani 0.5 1 d D . P B 1
H43A H 0.5638 0.2628 0.5102 0.026 Uiso 0.5 1 calc R U P B 1
C44 C 0.4866(3) 0.1747(3) 0.39496(16) 0.0296(9) Uani 0.5 1 d D . P B 1
H44A H 0.5152 0.1946 0.3657 0.035 Uiso 0.5 1 calc R U P B 1
C45 C 0.3948(3) 0.1955(3) 0.40531(17) 0.0303(9) Uani 0.5 1 d D . P B 1
H45A H 0.3477 0.2324 0.3845 0.036 Uiso 0.5 1 calc R U P B 1
C46 C 0.3815(3) 0.1556(3) 0.45098(19) 0.0308(10) Uani 0.5 1 d D . P B 1
H46A H 0.3236 0.1589 0.4675 0.037 Uiso 0.5 1 calc R U P B 1
C47 C 0.4653(3) 0.1100(3) 0.46868(16) 0.0329(9) Uani 0.5 1 d D . P B 1
H47A H 0.4767 0.0754 0.4998 0.040 Uiso 0.5 1 calc R U P B 1
C48 C 0.5303(2) 0.1219(3) 0.4340(2) 0.0284(8) Uani 0.5 1 d D . P B 1
H48A H 0.5951 0.0975 0.4368 0.034 Uiso 0.5 1 calc R U P B 1
C37A C 0.5723(3) 0.4131(3) 0.44154(15) 0.0205(7) Uani 0.5 1 d . . P B 2
H37C H 0.6075 0.3751 0.4669 0.025 Uiso 0.5 1 calc R U P B 2
H37D H 0.5299 0.4675 0.4592 0.025 Uiso 0.5 1 calc R U P B 2
C38A C 0.5204(2) 0.3692(2) 0.42020(12) 0.0175(5) Uani 0.5 1 d . . P B 2
H38C H 0.4786 0.4101 0.3985 0.021 Uiso 0.5 1 calc R U P B 2
H38D H 0.5617 0.3186 0.3989 0.021 Uiso 0.5 1 calc R U P B 2
Fe4A Fe 0.43318(9) 0.23886(10) 0.44891(5) 0.0303(3) Uani 0.5 1 d . . P B 2
C39A C 0.47085(11) 0.34010(13) 0.45928(8) 0.0281(4) Uani 0.5 1 d D . P B 2
C40A C 0.3988(3) 0.3648(4) 0.42956(15) 0.0479(12) Uiso 0.5 1 d D . P B 2
H40B H 0.3970 0.3874 0.3948 0.058 Uiso 0.5 1 calc R U P B 2
C41A C 0.3281(3) 0.3569(5) 0.46056(19) 0.069(2) Uiso 0.5 1 d D . P B 2
H41B H 0.2679 0.3716 0.4506 0.083 Uiso 0.5 1 calc R U P B 2
C42A C 0.35437(15) 0.33008(17) 0.50898(11) 0.0565(9) Uani 0.5 1 d D . P B 2
H42B H 0.3179 0.3196 0.5383 0.068 Uiso 0.5 1 calc R U P B 2
C43A C 0.4509(3) 0.3066(4) 0.50428(15) 0.0452(12) Uiso 0.5 1 d D . P B 2
H43B H 0.4908 0.2822 0.5311 0.054 Uiso 0.5 1 calc R U P B 2
C44A C 0.4607(3) 0.1762(3) 0.38168(18) 0.0433(14) Uani 0.5 1 d D . P B 2
H44B H 0.4623 0.2024 0.3480 0.052 Uiso 0.5 1 calc R U P B 2
C45A C 0.3856(3) 0.1706(3) 0.4095(2) 0.0472(18) Uani 0.5 1 d D . P B 2
H45B H 0.3249 0.1928 0.3988 0.057 Uiso 0.5 1 calc R U P B 2
C46A C 0.4119(3) 0.1281(4) 0.4551(2) 0.0400(15) Uani 0.5 1 d D . P B 2
H46B H 0.3728 0.1160 0.4823 0.048 Uiso 0.5 1 calc R U P B 2
C47A C 0.5037(3) 0.1075(3) 0.45550(17) 0.0299(9) Uani 0.5 1 d D . P B 2
H47B H 0.5401 0.0787 0.4832 0.036 Uiso 0.5 1 calc R U P B 2
C48A C 0.5330(2) 0.1384(3) 0.41065(18) 0.0269(8) Uani 0.5 1 d D . P B 2
H48B H 0.5942 0.1337 0.4009 0.032 Uiso 0.5 1 calc R U P B 2
C49 C 0.59674(12) 0.55324(12) 0.37795(7) 0.0218(3) Uani 1 1 d . . . . .
H49A H 0.5639 0.5886 0.4085 0.026 Uiso 1 1 calc R U . . .
H49B H 0.6439 0.5719 0.3657 0.026 Uiso 1 1 calc R U . . .
C50 C 0.53312(11) 0.57221(13) 0.33753(7) 0.0232(3) Uani 1 1 d . . . . .
H50A H 0.5606 0.5286 0.3097 0.028 Uiso 1 1 calc R U . . .
H50B H 0.4780 0.5683 0.3522 0.028 Uiso 1 1 calc R U . . .
C51 C 0.51214(11) 0.66115(13) 0.31779(7) 0.0234(3) Uani 1 1 d . . . . .
C52 C 0.56615(12) 0.68295(13) 0.28003(8) 0.0253(3) Uani 1 1 d . . . . .
H52A H 0.6228 0.6412 0.2615 0.030 Uiso 1 1 calc R U . . .
C53 C 0.52503(14) 0.77418(14) 0.27233(9) 0.0294(4) Uani 1 1 d . . . . .
H53A H 0.5478 0.8074 0.2479 0.035 Uiso 1 1 calc R U . . .
C54 C 0.44523(14) 0.80879(14) 0.30541(8) 0.0306(4) Uani 1 1 d . . . . .
H54A H 0.4020 0.8709 0.3083 0.037 Uiso 1 1 calc R U . . .
C55 C 0.43745(13) 0.73980(14) 0.33365(8) 0.0279(4) Uani 1 1 d . . . . .
H55A H 0.3877 0.7453 0.3597 0.033 Uiso 1 1 calc R U . . .
C56 C 0.44043(15) 0.62122(13) 0.21509(8) 0.0291(4) Uani 1 1 d . . . . .
H56A H 0.4825 0.5587 0.2141 0.035 Uiso 1 1 calc R U . . .
C57 C 0.44999(14) 0.68649(16) 0.18448(7) 0.0302(4) Uani 1 1 d . . . . .
H57A H 0.5003 0.6783 0.1582 0.036 Uiso 1 1 calc R U . . .
C58 C 0.37602(16) 0.76491(14) 0.19745(9) 0.0345(5) Uani 1 1 d . . . . .
H58A H 0.3651 0.8222 0.1822 0.041 Uiso 1 1 calc R U . . .
C59 C 0.32098(13) 0.74925(17) 0.23591(10) 0.0376(5) Uani 1 1 d . . . . .
H59A H 0.2640 0.7934 0.2527 0.045 Uiso 1 1 calc R U . . .
C60 C 0.36013(17) 0.66045(17) 0.24725(8) 0.0341(5) Uani 1 1 d . . . . .
H60A H 0.3354 0.6306 0.2730 0.041 Uiso 1 1 calc R U . . .
C61 C 0.71942(14) 0.44398(12) 0.44122(7) 0.0249(3) Uani 1 1 d . . . . .
H61A H 0.7437 0.4865 0.4303 0.030 Uiso 1 1 calc R U . . .
H61B H 0.6831 0.4650 0.4739 0.030 Uiso 1 1 calc R U . . .
C62 C 0.79556(14) 0.35738(12) 0.44841(7) 0.0266(4) Uani 1 1 d . . . . .
H62A H 0.7720 0.3132 0.4556 0.032 Uiso 1 1 calc R U . . .
H62B H 0.8359 0.3395 0.4167 0.032 Uiso 1 1 calc R U . . .
C63 C 0.84709(12) 0.36020(12) 0.49033(7) 0.0237(3) Uani 1 1 d . . . . .
C64 C 0.84082(12) 0.43612(14) 0.51551(8) 0.0282(4) Uani 1 1 d . . . . .
H64 H 0.8030 0.4941 0.5088 0.034 Uiso 1 1 calc R U . C 1
C65 C 0.90109(13) 0.41016(18) 0.55253(8) 0.0342(5) Uani 1 1 d . . . . .
H65 H 0.9098 0.4478 0.5750 0.041 Uiso 1 1 calc R U . D 1
C66 C 0.94564(12) 0.31871(18) 0.55009(8) 0.0356(5) Uani 1 1 d . . . . .
H66 H 0.9900 0.2843 0.5702 0.043 Uiso 1 1 calc R U . E 1
C67 C 0.91209(12) 0.28714(14) 0.51197(7) 0.0287(4) Uani 1 1 d . . . . .
H67 H 0.9298 0.2280 0.5026 0.034 Uiso 1 1 calc R U . F 1
Fe6 Fe 0.81504(10) 0.36506(7) 0.56478(5) 0.01643(16) Uani 0.5 1 d . . P G 1
C68 C 0.6907(3) 0.3452(4) 0.57747(19) 0.0402(14) Uani 0.5 1 d D . P G 1
H68A H 0.6481 0.3543 0.5523 0.048 Uiso 0.5 1 calc R U P G 1
C69 C 0.6933(3) 0.4106(2) 0.6087(3) 0.047(2) Uani 0.5 1 d D . P G 1
H69A H 0.6488 0.4723 0.6117 0.056 Uiso 0.5 1 calc R U P G 1
C70 C 0.7612(6) 0.3708(4) 0.6401(3) 0.045(2) Uani 0.5 1 d D . P G 1
H70A H 0.7730 0.4000 0.6687 0.054 Uiso 0.5 1 calc R U P G 1
C71 C 0.7998(5) 0.2799(4) 0.6291(3) 0.0372(14) Uani 0.5 1 d D . P G 1
H71A H 0.8489 0.2351 0.6457 0.045 Uiso 0.5 1 calc R U P G 1
C72 C 0.7553(3) 0.2638(3) 0.59069(16) 0.0302(9) Uani 0.5 1 d D . P G 1
H72A H 0.7704 0.2064 0.5739 0.036 Uiso 0.5 1 calc R U P G 1
Fe6A Fe 0.81133(10) 0.34518(7) 0.56710(5) 0.01672(16) Uani 0.5 1 d . . P G 2
C68A C 0.6806(3) 0.3997(4) 0.57868(15) 0.0386(13) Uani 0.5 1 d D . P G 2
H68B H 0.6403 0.4350 0.5540 0.046 Uiso 0.5 1 calc R U P G 2
C69A C 0.7092(3) 0.4331(3) 0.61775(17) 0.0316(10) Uani 0.5 1 d D . P G 2
H69B H 0.6969 0.4954 0.6230 0.038 Uiso 0.5 1 calc R U P G 2
C70A C 0.7734(5) 0.3620(4) 0.6406(3) 0.047(3) Uani 0.5 1 d D . P G 2
H70B H 0.8095 0.3662 0.6669 0.057 Uiso 0.5 1 calc R U P G 2
C71A C 0.7843(5) 0.2844(3) 0.6154(4) 0.060(3) Uani 0.5 1 d D . P G 2
H71B H 0.8228 0.2240 0.6244 0.072 Uiso 0.5 1 calc R U P G 2
C72A C 0.7279(5) 0.3081(4) 0.5765(2) 0.062(3) Uani 0.5 1 d D . P G 2
H72B H 0.7191 0.2671 0.5536 0.075 Uiso 0.5 1 calc R U P G 2
C73 C 1.06727(10) 0.31366(10) 0.16537(6) 0.0155(2) Uani 1 1 d . . . . .
H73A H 1.0333 0.3524 0.1399 0.019 Uiso 1 1 calc R U . . .
H73B H 1.1170 0.3287 0.1705 0.019 Uiso 1 1 calc R U . . .
C74 C 1.10338(11) 0.21923(10) 0.14652(6) 0.0171(3) Uani 1 1 d . . . . .
H74A H 1.1515 0.1832 0.1664 0.021 Uiso 1 1 calc R U . . .
H74B H 1.0558 0.1988 0.1525 0.021 Uiso 1 1 calc R U . . .
C75 C 1.13794(9) 0.20604(10) 0.09188(6) 0.0149(2) Uani 1 1 d . . . . .
C76 C 1.15754(10) 0.12995(10) 0.06201(6) 0.0162(3) Uani 1 1 d . . . . .
H76A H 1.1489 0.0774 0.0737 0.019 Uiso 1 1 calc R U . . .
C77 C 1.19163(10) 0.14204(11) 0.01245(6) 0.0181(3) Uani 1 1 d . . . . .
H77A H 1.2108 0.0996 -0.0165 0.022 Uiso 1 1 calc R U . . .
C78 C 1.19297(10) 0.22557(11) 0.01170(6) 0.0185(3) Uani 1 1 d . . . . .
H78A H 1.2128 0.2522 -0.0180 0.022 Uiso 1 1 calc R U . . .
C79 C 1.15988(10) 0.26492(11) 0.06046(6) 0.0171(3) Uani 1 1 d . . . . .
H79A H 1.1524 0.3241 0.0708 0.021 Uiso 1 1 calc R U . . .
C80 C 0.93648(11) 0.29757(14) 0.05912(8) 0.0260(4) Uani 1 1 d . . . . .
H80A H 0.9130 0.3161 0.0949 0.031 Uiso 1 1 calc R U . . .
C81 C 0.95349(11) 0.21633(13) 0.03661(8) 0.0257(4) Uani 1 1 d . . . . .
H81A H 0.9442 0.1675 0.0539 0.031 Uiso 1 1 calc R U . . .
C82 C 0.98671(11) 0.21614(12) -0.01460(8) 0.0226(3) Uani 1 1 d . . . . .
H82A H 1.0047 0.1672 -0.0396 0.027 Uiso 1 1 calc R U . . .
C83 C 0.99016(11) 0.29761(11) -0.02405(7) 0.0200(3) Uani 1 1 d . . . . .
H83A H 1.0108 0.3161 -0.0568 0.024 Uiso 1 1 calc R U . . .
C84 C 0.95895(11) 0.34794(12) 0.02168(8) 0.0227(3) Uani 1 1 d . . . . .
H84A H 0.9542 0.4080 0.0267 0.027 Uiso 1 1 calc R U . . .
C85 C 1.06992(9) 0.26294(10) 0.26895(6) 0.0152(2) Uani 1 1 d . . . . .
H85A H 1.0976 0.2018 0.2567 0.018 Uiso 1 1 calc R U . . .
H85B H 1.1174 0.2825 0.2714 0.018 Uiso 1 1 calc R U . . .
C86 C 1.01875(11) 0.26976(11) 0.32083(6) 0.0183(3) Uani 1 1 d . . . . .
H86A H 0.9987 0.3294 0.3347 0.022 Uiso 1 1 calc R U . . .
H86B H 0.9655 0.2598 0.3170 0.022 Uiso 1 1 calc R U . . .
C87 C 1.07055(12) 0.20733(11) 0.35769(6) 0.0192(3) Uani 1 1 d . . . . .
C88 C 1.03072(17) 0.17876(13) 0.40014(8) 0.0319(5) Uani 1 1 d . . . . .
H88A H 0.9661 0.1950 0.4087 0.038 Uiso 1 1 calc R U . . .
C89 C 1.0991(2) 0.12271(14) 0.42786(8) 0.0418(6) Uani 1 1 d . . . . .
H89A H 1.0908 0.0928 0.4593 0.050 Uiso 1 1 calc R U . . .
C90 C 1.1810(2) 0.11602(15) 0.40302(8) 0.0379(5) Uani 1 1 d . . . . .
H90A H 1.2404 0.0805 0.4139 0.045 Uiso 1 1 calc R U . . .
C91 C 1.16385(13) 0.16865(13) 0.35958(7) 0.0240(3) Uani 1 1 d . . . . .
H91A H 1.2092 0.1761 0.3347 0.029 Uiso 1 1 calc R U . . .
C92 C 1.04195(16) 0.01881(13) 0.32975(9) 0.0335(4) Uani 1 1 d . . . . .
H92A H 0.9761 0.0413 0.3355 0.040 Uiso 1 1 calc R U . . .
C93 C 1.10245(18) -0.03964(13) 0.36078(9) 0.0357(5) Uani 1 1 d . . . . .
H93A H 1.0864 -0.0650 0.3923 0.043 Uiso 1 1 calc R U . . .
C94 C 1.19023(16) -0.05465(14) 0.33975(9) 0.0345(4) Uani 1 1 d . . . . .
H94A H 1.2463 -0.0928 0.3535 0.041 Uiso 1 1 calc R U . . .
C95 C 1.18241(15) -0.00547(14) 0.29542(8) 0.0314(4) Uani 1 1 d . . . . .
H95A H 1.2324 -0.0028 0.2724 0.038 Uiso 1 1 calc R U . . .
C96 C 1.09098(16) 0.03957(14) 0.28963(8) 0.0300(4) Uani 1 1 d . . . . .
H96A H 1.0659 0.0794 0.2619 0.036 Uiso 1 1 calc R U . . .
C97 C 0.96748(10) 0.44097(10) 0.24524(6) 0.0164(3) Uani 1 1 d . . . . .
H97A H 0.9451 0.4793 0.2169 0.020 Uiso 1 1 calc R U . . .
H97B H 0.9182 0.4571 0.2726 0.020 Uiso 1 1 calc R U . . .
C98 C 1.04061(10) 0.46041(10) 0.26385(6) 0.0147(2) Uani 1 1 d . . . . .
H98A H 1.0601 0.4266 0.2942 0.018 Uiso 1 1 calc R U . . .
H98B H 1.0919 0.4417 0.2376 0.018 Uiso 1 1 calc R U . . .
C99 C 1.01075(10) 0.55493(10) 0.27624(6) 0.0154(2) Uani 1 1 d . . . . .
C100 C 1.03935(15) 0.59123(13) 0.31427(7) 0.0258(4) Uani 1 1 d . . . . .
H100 H 1.0797 0.5595 0.3372 0.031 Uiso 1 1 calc R U . H 1
C101 C 0.99707(16) 0.68363(13) 0.31202(8) 0.0289(4) Uani 1 1 d . . . . .
H101 H 1.0040 0.7239 0.3333 0.035 Uiso 1 1 calc R U . I 1
C102 C 0.94327(14) 0.70435(12) 0.27251(8) 0.0278(4) Uani 1 1 d . . . . .
H102 H 0.9077 0.7611 0.2625 0.033 Uiso 1 1 calc R U . J 1
C103 C 0.95171(12) 0.62519(11) 0.25019(7) 0.0216(3) Uani 1 1 d . . . . .
H103 H 0.9228 0.6202 0.2226 0.026 Uiso 1 1 calc R U . K 1
Fe9 Fe 0.91427(7) 0.62889(8) 0.33013(4) 0.01982(16) Uani 0.5 1 d . . P L 1
C104 C 0.7829(2) 0.6194(2) 0.31985(13) 0.0250(7) Uani 0.5 1 d D . P L 1
H10C H 0.7695 0.5968 0.2891 0.030 Uiso 0.5 1 calc R U P L 1
C105 C 0.8352(3) 0.5681(2) 0.35690(14) 0.0233(7) Uani 0.5 1 d D . P L 1
H10D H 0.8548 0.5042 0.3604 0.028 Uiso 0.5 1 calc R U P L 1
C106 C 0.8472(3) 0.6247(3) 0.39093(13) 0.0317(9) Uani 0.5 1 d D . P L 1
H10E H 0.8708 0.6080 0.4241 0.038 Uiso 0.5 1 calc R U P L 1
C107 C 0.8011(4) 0.7112(2) 0.37544(18) 0.0338(11) Uani 0.5 1 d D . P L 1
H10F H 0.7939 0.7649 0.3937 0.041 Uiso 0.5 1 calc R U P L 1
C108 C 0.7613(3) 0.7083(2) 0.33155(17) 0.0322(9) Uani 0.5 1 d D . P L 1
H10G H 0.7314 0.7584 0.3100 0.039 Uiso 0.5 1 calc R U P L 1
Fe9A Fe 0.89586(7) 0.63862(8) 0.31946(4) 0.01620(14) Uani 0.5 1 d . . P L 2
C145 C 0.8035(3) 0.6049(3) 0.34102(17) 0.0351(10) Uani 0.5 1 d D . P L 2
H14C H 0.7707 0.5856 0.3186 0.042 Uiso 0.5 1 calc R U P L 2
C146 C 0.8679(3) 0.5502(2) 0.37116(16) 0.0276(8) Uani 0.5 1 d D . P L 2
H14D H 0.8973 0.4855 0.3684 0.033 Uiso 0.5 1 calc R U P L 2
C147 C 0.8878(3) 0.6033(3) 0.40382(15) 0.0351(10) Uani 0.5 1 d D . P L 2
H14E H 0.9379 0.5827 0.4249 0.042 Uiso 0.5 1 calc R U P L 2
C148 C 0.8347(4) 0.6916(3) 0.3936(2) 0.0494(16) Uani 0.5 1 d D . P L 2
H14F H 0.8360 0.7436 0.4097 0.059 Uiso 0.5 1 calc R U P L 2
C149 C 0.7828(3) 0.6927(3) 0.3547(2) 0.0499(17) Uani 0.5 1 d D . P L 2
H14G H 0.7329 0.7450 0.3438 0.060 Uiso 0.5 1 calc R U P L 2
C109 C 0.75843(10) -0.03295(12) 0.17861(7) 0.0204(3) Uani 1 1 d . . . . .
H10H H 0.7663 -0.0925 0.1874 0.025 Uiso 1 1 calc R U . . .
H10I H 0.7129 -0.0112 0.1551 0.025 Uiso 1 1 calc R U . . .
C110 C 0.84616(11) -0.03684(12) 0.15144(7) 0.0213(3) Uani 1 1 d . . . . .
H11C H 0.8550 -0.0625 0.1173 0.026 Uiso 1 1 calc R U . . .
H11D H 0.8413 0.0231 0.1476 0.026 Uiso 1 1 calc R U . . .
C111 C 0.92631(10) -0.08813(11) 0.17762(7) 0.0186(3) Uani 1 1 d . . . . .
C112 C 0.95447(11) -0.06045(12) 0.21998(7) 0.0213(3) Uani 1 1 d . . . . .
H11E H 0.9233 -0.0029 0.2380 0.026 Uiso 1 1 calc R U . . .
C113 C 1.03459(11) -0.12862(13) 0.23191(7) 0.0234(3) Uani 1 1 d . . . . .
H11F H 1.0695 -0.1269 0.2595 0.028 Uiso 1 1 calc R U . . .
C114 C 1.05716(12) -0.19888(12) 0.19710(8) 0.0235(3) Uani 1 1 d . . . . .
H11G H 1.1106 -0.2551 0.1959 0.028 Uiso 1 1 calc R U . . .
C115 C 0.99052(11) -0.17417(11) 0.16386(7) 0.0207(3) Uani 1 1 d . . . . .
H11H H 0.9895 -0.2104 0.1352 0.025 Uiso 1 1 calc R U . . .
C116 C 1.04983(17) 0.02765(14) 0.14319(11) 0.0416(6) Uani 1 1 d . . . . .
H11I H 1.0093 0.0848 0.1596 0.050 Uiso 1 1 calc R U . . .
C117 C 1.13261(16) -0.03012(16) 0.15847(9) 0.0356(5) Uani 1 1 d . . . . .
H11J H 1.1599 -0.0208 0.1878 0.043 Uiso 1 1 calc R U . . .
C118 C 1.16930(12) -0.10341(13) 0.12500(7) 0.0242(3) Uani 1 1 d . . . . .
H11K H 1.2266 -0.1549 0.1269 0.029 Uiso 1 1 calc R U . . .
C119 C 1.10969(12) -0.09123(13) 0.08876(7) 0.0248(3) Uani 1 1 d . . . . .
H11L H 1.1176 -0.1328 0.0607 0.030 Uiso 1 1 calc R U . . .
C120 C 1.03598(14) -0.01033(14) 0.09989(10) 0.0340(5) Uani 1 1 d . . . . .
H12C H 0.9834 0.0152 0.0808 0.041 Uiso 1 1 calc R U . . .
C121 C 0.59923(10) 0.06193(11) 0.24236(6) 0.0167(3) Uani 1 1 d . . . . .
H12D H 0.5903 0.0103 0.2331 0.020 Uiso 1 1 calc R U . . .
H12E H 0.5739 0.0786 0.2777 0.020 Uiso 1 1 calc R U . . .
C122 C 0.55214(10) 0.13658(11) 0.20824(6) 0.0168(3) Uani 1 1 d . . . . .
H12F H 0.5558 0.1895 0.2206 0.020 Uiso 1 1 calc R U . . .
H12G H 0.5841 0.1226 0.1740 0.020 Uiso 1 1 calc R U . . .
C123 C 0.45702(10) 0.15607(11) 0.20509(6) 0.0168(3) Uani 1 1 d . . . . .
C124 C 0.39822(11) 0.13619(13) 0.24048(7) 0.0223(3) Uani 1 1 d . . . . .
H12H H 0.4146 0.1017 0.2713 0.027 Uiso 1 1 calc R U . . .
C125 C 0.31253(11) 0.17208(14) 0.22372(8) 0.0266(4) Uani 1 1 d . . . . .
H12I H 0.2585 0.1678 0.2410 0.032 Uiso 1 1 calc R U . . .
C126 C 0.31752(11) 0.21528(12) 0.17813(8) 0.0261(4) Uani 1 1 d . . . . .
H12J H 0.2677 0.2467 0.1578 0.031 Uiso 1 1 calc R U . . .
C127 C 0.40652(11) 0.20527(11) 0.16659(7) 0.0207(3) Uani 1 1 d . . . . .
H12K H 0.4299 0.2280 0.1364 0.025 Uiso 1 1 calc R U . . .
C128 C 0.49996(12) -0.02325(13) 0.13833(9) 0.0299(4) Uani 1 1 d . . . . .
H12L H 0.5648 -0.0409 0.1386 0.036 Uiso 1 1 calc R U . . .
C129 C 0.44378(19) -0.04371(14) 0.17512(10) 0.0373(5) Uani 1 1 d . . . . .
H12M H 0.4619 -0.0787 0.2057 0.045 Uiso 1 1 calc R U . . .
C130 C 0.35650(16) -0.00544(15) 0.16007(10) 0.0367(5) Uani 1 1 d . . . . .
H13C H 0.3026 -0.0086 0.1783 0.044 Uiso 1 1 calc R U . . .
C131 C 0.36064(13) 0.03667(14) 0.11481(9) 0.0297(4) Uani 1 1 d . . . . .
H13D H 0.3097 0.0696 0.0955 0.036 Uiso 1 1 calc R U . . .
C132 C 0.44834(13) 0.02579(14) 0.10159(8) 0.0269(4) Uani 1 1 d . . . . .
H13E H 0.4701 0.0498 0.0713 0.032 Uiso 1 1 calc R U . . .
C133 C 0.75825(11) -0.03695(10) 0.28804(7) 0.0180(3) Uani 1 1 d . . . . .
H13F H 0.7268 -0.0752 0.2927 0.022 Uiso 1 1 calc R U . . .
H13G H 0.8221 -0.0739 0.2801 0.022 Uiso 1 1 calc R U . . .
C134 C 0.74266(18) 0.01648(13) 0.33656(9) 0.0352(5) Uani 1 1 d . . . . .
H13L H 0.7638 0.0625 0.3294 0.042 Uiso 0.5 1 calc R U P M 1
H13M H 0.6784 0.0451 0.3472 0.042 Uiso 0.5 1 calc R U P M 1
H13N H 0.7638 0.0625 0.3294 0.042 Uiso 0.5 1 calc R U P N 2
H13O H 0.6784 0.0451 0.3472 0.042 Uiso 0.5 1 calc R U P N 2
Fe12 Fe 0.8153(3) 0.0197(3) 0.44126(18) 0.0174(4) Uani 0.5 1 d . . P O 1
C135 C 0.78755(10) -0.03528(10) 0.37911(6) 0.0185(3) Uani 0.5 1 d D . P O 1
C136 C 0.7350(2) -0.0518(4) 0.41987(17) 0.0211(9) Uani 0.5 1 d D . P O 1
H13H H 0.6692 -0.0296 0.4242 0.025 Uiso 0.5 1 calc R U P O 1
C137 C 0.7935(3) -0.1017(3) 0.45477(12) 0.0242(7) Uani 0.5 1 d D . P O 1
H13I H 0.7758 -0.1209 0.4881 0.029 Uiso 0.5 1 calc R U P O 1
C138 C 0.8813(2) -0.1181(2) 0.43447(13) 0.0239(7) Uani 0.5 1 d D . P O 1
H13J H 0.9362 -0.1552 0.4496 0.029 Uiso 0.5 1 calc R U P O 1
C139 C 0.8779(2) -0.0789(3) 0.38676(18) 0.0201(9) Uani 0.5 1 d D . P O 1
H13K H 0.9296 -0.0857 0.3619 0.024 Uiso 0.5 1 calc R U P O 1
C140 C 0.7694(3) 0.1415(3) 0.43083(14) 0.0226(9) Uani 0.5 1 d D . P O 1
H14H H 0.7448 0.1711 0.3998 0.027 Uiso 0.5 1 calc R U P O 1
C141 C 0.71986(17) 0.1281(2) 0.47445(14) 0.0185(6) Uani 0.5 1 d D . P O 1
H14I H 0.6551 0.1430 0.4783 0.022 Uiso 0.5 1 calc R U P O 1
C142 C 0.7808(2) 0.0800(2) 0.50902(10) 0.0179(6) Uani 0.5 1 d D . P O 1
H14J H 0.7661 0.0558 0.5413 0.021 Uiso 0.5 1 calc R U P O 1
C143 C 0.86712(18) 0.0639(2) 0.48615(12) 0.0228(6) Uani 0.5 1 d D . P O 1
H14K H 0.9233 0.0297 0.5009 0.027 Uiso 0.5 1 calc R U P O 1
C144 C 0.8605(2) 0.1013(3) 0.43799(13) 0.0269(8) Uani 0.5 1 d D . P O 1
H14L H 0.9107 0.1006 0.4138 0.032 Uiso 0.5 1 calc R U P O 1
Fe13 Fe 0.8068(3) 0.0123(3) 0.44188(17) 0.0144(3) Uani 0.5 1 d . . P O 2
C150 C 0.78755(10) -0.03528(10) 0.37911(6) 0.0185(3) Uani 0.5 1 d D . P O 2
C151 C 0.7582(2) -0.0620(5) 0.42645(17) 0.0213(9) Uani 0.5 1 d D . P O 2
H15A H 0.6964 -0.0543 0.4376 0.026 Uiso 0.5 1 calc R U P O 2
C152 C 0.8322(3) -0.1048(2) 0.45365(12) 0.0246(8) Uani 0.5 1 d D . P O 2
H15B H 0.8312 -0.1313 0.4873 0.030 Uiso 0.5 1 calc R U P O 2
C153 C 0.9077(2) -0.1030(3) 0.42442(16) 0.0274(8) Uani 0.5 1 d D . P O 2
H15C H 0.9681 -0.1231 0.4354 0.033 Uiso 0.5 1 calc R U P O 2
C154 C 0.8804(2) -0.0593(4) 0.37921(18) 0.0217(10) Uani 0.5 1 d D . P O 2
H15D H 0.9180 -0.0417 0.3538 0.026 Uiso 0.5 1 calc R U P O 2
C155 C 0.7399(2) 0.1514(3) 0.44080(15) 0.0231(9) Uani 0.5 1 d D . P O 2
H15E H 0.6924 0.1851 0.4194 0.028 Uiso 0.5 1 calc R U P O 2
C156 C 0.7271(2) 0.1188(3) 0.48908(15) 0.0260(10) Uiso 0.5 1 d D . P O 2
H15F H 0.6689 0.1281 0.5081 0.031 Uiso 0.5 1 calc R U P O 2
C157 C 0.8107(3) 0.0804(3) 0.50798(14) 0.0298(10) Uiso 0.5 1 d D . P O 2
H15G H 0.8217 0.0555 0.5420 0.036 Uiso 0.5 1 calc R U P O 2
C158 C 0.8748(2) 0.0886(3) 0.47140(16) 0.0290(8) Uiso 0.5 1 d D . P O 2
H15H H 0.9394 0.0668 0.4742 0.035 Uiso 0.5 1 calc R U P O 2
C159 C 0.8309(2) 0.1325(3) 0.42977(13) 0.0260(8) Uiso 0.5 1 d D . P O 2
H15I H 0.8593 0.1470 0.3983 0.031 Uiso 0.5 1 calc R U P O 2
C1S C 0.36312(18) 0.35584(17) 0.27548(12) 0.0441(6) Uani 1 1 d . . . . .
H1SA H 0.4180 0.3273 0.2917 0.053 Uiso 1 1 calc R U . . .
H1SB H 0.3674 0.3192 0.2461 0.053 Uiso 1 1 calc R U . . .
Cl1S Cl 0.35402(5) 0.45740(5) 0.25501(3) 0.04867(15) Uani 1 1 d . . . . .
Cl2S Cl 0.27246(6) 0.36377(6) 0.31818(3) 0.0625(2) Uani 1 1 d . . . . .
C2S C 1.06754(15) 0.35206(18) 0.45158(9) 0.0353(5) Uani 1 1 d . . . . .
H2SA H 1.0646 0.2969 0.4432 0.042 Uiso 0.5 1 calc R U P P 1
H2SB H 1.0376 0.3699 0.4861 0.042 Uiso 0.5 1 calc R U P P 1
H2SC H 1.0200 0.4002 0.4719 0.042 Uiso 0.5 1 calc R U P Q 2
H2SD H 1.0426 0.3122 0.4412 0.042 Uiso 0.5 1 calc R U P Q 2
Cl3S Cl 1.17732(8) 0.33182(10) 0.45215(7) 0.0555(4) Uani 0.5 1 d . . P R 1
Cl4S Cl 1.01023(14) 0.42638(10) 0.41268(8) 0.0694(6) Uani 0.5 1 d . . P R 1
Cl3A Cl 1.15056(8) 0.29806(8) 0.48724(4) 0.0371(2) Uani 0.5 1 d . . P R 2
Cl4A Cl 1.10588(9) 0.39531(7) 0.39613(4) 0.0344(2) Uani 0.5 1 d . . P R 2
C3S C 0.4741(3) -0.0332(3) 0.3703(2) 0.0368(9) Uani 0.5 1 d . . P S 1
H3SA H 0.4562 -0.0337 0.3364 0.044 Uiso 0.5 1 calc R U P S 1
H3SB H 0.4602 0.0270 0.3810 0.044 Uiso 0.5 1 calc R U P S 1
Cl5S Cl 0.58399(9) -0.10097(11) 0.37303(8) 0.0541(4) Uani 0.5 1 d . . P S 1
Cl6S Cl 0.4216(2) -0.08813(19) 0.41788(13) 0.0514(8) Uani 0.5 1 d . . P S 1
C3A C 0.5319(3) -0.1289(4) 0.39248(18) 0.0389(10) Uani 0.5 1 d . U P T 2
H3AA H 0.5683 -0.1388 0.4206 0.047 Uiso 0.5 1 calc R U P T 2
H3AB H 0.5426 -0.1854 0.3770 0.047 Uiso 0.5 1 calc R U P T 2
Cl5A Cl 0.55336(10) -0.06026(10) 0.34785(6) 0.0432(3) Uani 0.5 1 d . U P T 2
Cl6A Cl 0.40445(17) -0.06085(16) 0.41522(14) 0.0381(5) Uani 0.5 1 d . U P T 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 P1 2.3755(6) . ?
Ag1 Cl2 2.4738(6) . ?
Ag1 Cl1 2.7065(5) . ?
Ag2 P2 2.3711(6) . ?
Ag2 Cl4 2.5257(6) . ?
Ag2 Cl1 2.7376(6) . ?
Ag2 Cl2 2.7631(5) . ?
Ag3 P3 2.3735(5) . ?
Ag3 Cl3 2.5147(5) . ?
Ag3 Cl1 2.6769(6) . ?
Ag3 Cl4 2.8232(6) . ?
Ag4 P4 2.3840(5) . ?
Ag4 Cl3 2.5688(6) . ?
Ag4 Cl4 2.6372(5) . ?
Ag4 Cl2 2.8307(6) . ?
Fe1 C11A 1.984(10) . ?
Fe1 C12A 2.005(9) . ?
Fe1 C9 2.013(8) . ?
Fe1 C10A 2.023(12) . ?
Fe1 C5 2.0364(18) . ?
Fe1 C4 2.0372(17) . ?
Fe1 C6 2.0376(18) . ?
Fe1 C8 2.046(7) . ?
Fe1 C7 2.0469(18) . ?
Fe1 C3 2.0493(16) . ?
Fe1 C10 2.063(12) . ?
Fe1 C8A 2.093(8) . ?
Fe2 C15 2.0293(13) . ?
Fe2 C24 2.0346(18) . ?
Fe2 C19 2.0365(16) . ?
Fe2 C20 2.0402(18) . ?
Fe2 C23 2.0414(16) . ?
Fe2 C16 2.0425(15) . ?
Fe2 C22 2.0441(16) . ?
Fe2 C21 2.0456(19) . ?
Fe2 C18 2.0477(17) . ?
Fe2 C17 2.0474(16) . ?
Fe3 C32 2.0436(19) . ?
Fe3 C29 2.0439(19) . ?
Fe3 C27 2.0441(15) . ?
Fe3 C28 2.0453(17) . ?
Fe3 C33 2.0463(19) . ?
Fe3 C35 2.0473(17) . ?
Fe3 C36 2.049(2) . ?
Fe3 C31 2.0502(17) . ?
Fe3 C30 2.0508(18) . ?
Fe3 C34 2.0513(17) . ?
Fe5 C56 2.0336(19) . ?
Fe5 C60 2.034(2) . ?
Fe5 C54 2.037(2) . ?
Fe5 C55 2.040(2) . ?
Fe5 C57 2.040(2) . ?
Fe5 C59 2.045(2) . ?
Fe5 C52 2.0458(17) . ?
Fe5 C51 2.0463(18) . ?
Fe5 C58 2.052(2) . ?
Fe5 C53 2.053(2) . ?
Fe7 C76 2.0379(16) . ?
Fe7 C77 2.0451(16) . ?
Fe7 C82 2.0457(16) . ?
Fe7 C81 2.0482(16) . ?
Fe7 C84 2.0491(17) . ?
Fe7 C75 2.0495(16) . ?
Fe7 C80 2.0494(18) . ?
Fe7 C83 2.0505(17) . ?
Fe7 C79 2.0523(15) . ?
Fe7 C78 2.0545(15) . ?
Fe8 C89 2.040(2) . ?
Fe8 C88 2.042(2) . ?
Fe8 C90 2.041(2) . ?
Fe8 C96 2.042(2) . ?
Fe8 C95 2.042(2) . ?
Fe8 C92 2.050(2) . ?
Fe8 C87 2.0516(17) . ?
Fe8 C94 2.052(2) . ?
Fe8 C93 2.055(2) . ?
Fe8 C91 2.055(2) . ?
Fe10 C112 2.0295(18) . ?
Fe10 C116 2.030(2) . ?
Fe10 C117 2.0378(18) . ?
Fe10 C111 2.0388(15) . ?
Fe10 C115 2.0429(16) . ?
Fe10 C120 2.043(2) . ?
Fe10 C113 2.0483(19) . ?
Fe10 C114 2.0547(18) . ?
Fe10 C118 2.0561(17) . ?
Fe10 C119 2.0588(19) . ?
Fe11 C125 2.0347(19) . ?
Fe11 C129 2.037(2) . ?
Fe11 C130 2.0383(19) . ?
Fe11 C126 2.0397(19) . ?
Fe11 C128 2.0419(19) . ?
Fe11 C127 2.0436(17) . ?
Fe11 C124 2.0493(19) . ?
Fe11 C131 2.0493(19) . ?
Fe11 C132 2.050(2) . ?
Fe11 C123 2.0578(15) . ?
P1 C25 1.8235(14) . ?
P1 C13 1.8332(15) . ?
P1 C1 1.8345(16) . ?
P2 C49 1.8319(19) . ?
P2 C37 1.834(4) . ?
P2 C61 1.8336(18) . ?
P2 C37A 1.860(4) . ?
P3 C73 1.8263(16) . ?
P3 C97 1.8292(16) . ?
P3 C85 1.8297(16) . ?
P4 C109 1.8348(18) . ?
P4 C133 1.8378(17) . ?
P4 C121 1.8387(15) . ?
C1 C2 1.524(2) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.505(2) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C7 1.428(2) . ?
C3 C4 1.429(2) . ?
C4 C5 1.425(2) . ?
C4 H4A 1.0000 . ?
C5 C6 1.422(3) . ?
C5 H5A 1.0000 . ?
C6 C7 1.428(2) . ?
C6 H6A 1.0000 . ?
C7 H7A 1.0000 . ?
C8 C12 1.422(4) . ?
C8 C9 1.425(4) . ?
C8 H8A 1.0000 . ?
C9 C10 1.424(4) . ?
C9 H9A 1.0000 . ?
C10 C11 1.426(4) . ?
C10 H10A 1.0000 . ?
C11 C12 1.425(4) . ?
C11 H11A 1.0000 . ?
C12 H12A 1.0000 . ?
C8A C12A 1.422(4) . ?
C8A C9A 1.425(4) . ?
C8A H8AA 1.0000 . ?
C9A C10A 1.425(4) . ?
C9A H9AA 1.0000 . ?
C10A C11A 1.426(4) . ?
C10A H10B 1.0000 . ?
C11A C12A 1.423(4) . ?
C11A H11B 1.0000 . ?
C12A H12B 1.0000 . ?
C13 C14 1.5331(19) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.502(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.429(2) . ?
C15 C19 1.433(2) . ?
C16 C17 1.429(2) . ?
C16 H16A 1.0000 . ?
C17 C18 1.418(3) . ?
C17 H17A 1.0000 . ?
C18 C19 1.429(2) . ?
C18 H18A 1.0000 . ?
C19 H19A 1.0000 . ?
C20 C24 1.424(3) . ?
C20 C21 1.428(3) . ?
C20 H20A 1.0000 . ?
C21 C22 1.423(3) . ?
C21 H21A 1.0000 . ?
C22 C23 1.426(3) . ?
C22 H22A 1.0000 . ?
C23 C24 1.424(3) . ?
C23 H23A 1.0000 . ?
C24 H24A 1.0000 . ?
C25 C26 1.536(2) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.4934(19) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.425(2) . ?
C27 C31 1.428(2) . ?
C28 C29 1.431(2) . ?
C28 H28A 1.0000 . ?
C29 C30 1.424(3) . ?
C29 H29A 1.0000 . ?
C30 C31 1.429(2) . ?
C30 H30A 1.0000 . ?
C31 H31A 1.0000 . ?
C32 C33 1.422(3) . ?
C32 C36 1.430(3) . ?
C32 H32A 1.0000 . ?
C33 C34 1.423(2) . ?
C33 H33A 1.0000 . ?
C34 C35 1.427(3) . ?
C34 H34A 1.0000 . ?
C35 C36 1.422(3) . ?
C35 H35A 1.0000 . ?
C36 H36A 1.0000 . ?
C37 C38 1.523(5) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.574(4) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
Fe4 C41 1.929(3) . ?
Fe4 C39 2.018(2) . ?
Fe4 C42 2.026(3) . ?
Fe4 C47 2.035(4) . ?
Fe4 C40 2.035(3) . ?
Fe4 C43 2.039(3) . ?
Fe4 C48 2.049(4) . ?
Fe4 C46 2.044(5) . ?
Fe4 C44 2.066(4) . ?
Fe4 C45 2.064(5) . ?
C39 C43 1.440(3) . ?
C39 C40 1.453(3) . ?
C40 C41 1.417(3) . ?
C40 H40A 1.0000 . ?
C41 C42 1.398(3) . ?
C41 H41A 1.0000 . ?
C42 C43 1.417(3) . ?
C42 H42A 1.0000 . ?
C43 H43A 1.0000 . ?
C44 C48 1.423(4) . ?
C44 C45 1.424(4) . ?
C44 H44A 1.0000 . ?
C45 C46 1.426(4) . ?
C45 H45A 1.0000 . ?
C46 C47 1.424(4) . ?
C46 H46A 1.0000 . ?
C47 C48 1.427(4) . ?
C47 H47A 1.0000 . ?
C48 H48A 1.0000 . ?
C37A C38A 1.520(5) . ?
C37A H37C 0.9900 . ?
C37A H37D 0.9900 . ?
C38A C39A 1.468(3) . ?
C38A H38C 0.9900 . ?
C38A H38D 0.9900 . ?
Fe4A C43A 2.015(6) . ?
Fe4A C44A 2.018(6) . ?
Fe4A C48A 2.019(4) . ?
Fe4A C45A 2.024(5) . ?
Fe4A C40A 2.042(6) . ?
Fe4A C41A 2.046(7) . ?
Fe4A C46A 2.054(5) . ?
Fe4A C47A 2.060(4) . ?
Fe4A C39A 2.094(2) . ?
Fe4A C42A 2.159(3) . ?
C39A C43A 1.389(3) . ?
C39A C40A 1.432(4) . ?
C40A C41A 1.421(4) . ?
C40A H40B 1.0000 . ?
C41A C42A 1.422(4) . ?
C41A H41B 1.0000 . ?
C42A C43A 1.487(4) . ?
C42A H42B 1.0000 . ?
C43A H43B 1.0000 . ?
C44A C48A 1.423(4) . ?
C44A C45A 1.427(4) . ?
C44A H44B 1.0000 . ?
C45A C46A 1.425(4) . ?
C45A H45B 1.0000 . ?
C46A C47A 1.430(4) . ?
C46A H46B 1.0000 . ?
C47A C48A 1.420(4) . ?
C47A H47B 1.0000 . ?
C48A H48B 1.0000 . ?
C49 C50 1.540(2) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C51 1.500(3) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C52 1.427(3) . ?
C51 C55 1.430(3) . ?
C52 C53 1.431(3) . ?
C52 H52A 1.0000 . ?
C53 C54 1.422(3) . ?
C53 H53A 1.0000 . ?
C54 C55 1.425(3) . ?
C54 H54A 1.0000 . ?
C55 H55A 1.0000 . ?
C56 C57 1.417(3) . ?
C56 C60 1.420(3) . ?
C56 H56A 1.0000 . ?
C57 C58 1.408(3) . ?
C57 H57A 1.0000 . ?
C58 C59 1.401(4) . ?
C58 H58A 1.0000 . ?
C59 C60 1.414(4) . ?
C59 H59A 1.0000 . ?
C60 H60A 1.0000 . ?
C61 C62 1.520(3) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.504(3) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.426(3) . ?
C63 C67 1.432(3) . ?
C63 Fe6 2.001(2) . ?
C63 Fe6A 2.118(2) . ?
C64 C65 1.426(3) . ?
C64 Fe6 1.904(3) . ?
C64 Fe6A 2.221(3) . ?
C64 H64 0.9500 . ?
C65 C66 1.415(4) . ?
C65 Fe6 1.890(3) . ?
C65 Fe6A 2.204(3) . ?
C65 H65 0.9500 . ?
C66 C67 1.431(3) . ?
C66 Fe6 1.988(2) . ?
C66 Fe6A 2.101(2) . ?
C66 H66 0.9500 . ?
C67 Fe6A 2.031(2) . ?
C67 Fe6 2.042(2) . ?
C67 H67 0.9500 . ?
Fe6 C69 2.082(5) . ?
Fe6 C70 2.103(9) . ?
Fe6 C68 2.234(5) . ?
Fe6 C71 2.288(9) . ?
Fe6 C72 2.380(4) . ?
C68 C69 1.420(4) . ?
C68 C72 1.425(4) . ?
C68 H68A 1.0000 . ?
C69 C70 1.418(4) . ?
C69 H69A 1.0000 . ?
C70 C71 1.426(4) . ?
C70 H70A 1.0000 . ?
C71 C72 1.429(4) . ?
C71 H71A 1.0000 . ?
C72 H72A 1.0000 . ?
Fe6A C72A 1.750(5) . ?
Fe6A C71A 1.773(9) . ?
Fe6A C68A 1.982(4) . ?
Fe6A C70A 1.989(8) . ?
Fe6A C69A 2.107(5) . ?
C68A C69A 1.416(4) . ?
C68A C72A 1.422(4) . ?
C68A H68B 1.0000 . ?
C69A C70A 1.425(4) . ?
C69A H69B 1.0000 . ?
C70A C71A 1.425(4) . ?
C70A H70B 1.0000 . ?
C71A C72A 1.426(4) . ?
C71A H71B 1.0000 . ?
C72A H72B 1.0000 . ?
C73 C74 1.533(2) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 C75 1.498(2) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 C79 1.430(2) . ?
C75 C76 1.431(2) . ?
C76 C77 1.431(2) . ?
C76 H76A 1.0000 . ?
C77 C78 1.427(2) . ?
C77 H77A 1.0000 . ?
C78 C79 1.423(2) . ?
C78 H78A 1.0000 . ?
C79 H79A 1.0000 . ?
C80 C81 1.420(3) . ?
C80 C84 1.424(3) . ?
C80 H80A 1.0000 . ?
C81 C82 1.422(3) . ?
C81 H81A 1.0000 . ?
C82 C83 1.424(2) . ?
C82 H82A 1.0000 . ?
C83 C84 1.426(3) . ?
C83 H83A 1.0000 . ?
C84 H84A 1.0000 . ?
C85 C86 1.529(2) . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C86 C87 1.496(2) . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C87 C91 1.429(3) . ?
C87 C88 1.432(2) . ?
C88 C89 1.423(4) . ?
C88 H88A 1.0000 . ?
C89 C90 1.417(4) . ?
C89 H89A 1.0000 . ?
C90 C91 1.433(3) . ?
C90 H90A 1.0000 . ?
C91 H91A 1.0000 . ?
C92 C96 1.408(3) . ?
C92 C93 1.422(4) . ?
C92 H92A 1.0000 . ?
C93 C94 1.434(4) . ?
C93 H93A 1.0000 . ?
C94 C95 1.424(3) . ?
C94 H94A 1.0000 . ?
C95 C96 1.425(3) . ?
C95 H95A 1.0000 . ?
C96 H96A 1.0000 . ?
C97 C98 1.529(2) . ?
C97 H97A 0.9900 . ?
C97 H97B 0.9900 . ?
C98 C99 1.501(2) . ?
C98 H98A 0.9900 . ?
C98 H98B 0.9900 . ?
C99 C100 1.424(2) . ?
C99 C103 1.424(2) . ?
C99 Fe9 2.035(2) . ?
C99 Fe9A 2.089(2) . ?
C100 C101 1.431(3) . ?
C100 Fe9 1.919(2) . ?
C100 Fe9A 2.184(2) . ?
C100 H100 0.9500 . ?
C101 C102 1.411(3) . ?
C101 Fe9 1.981(2) . ?
C101 Fe9A 2.120(2) . ?
C101 H101 0.9500 . ?
C102 C103 1.428(3) . ?
C102 Fe9A 1.978(2) . ?
C102 Fe9 2.128(2) . ?
C102 H102 0.9500 . ?
C103 Fe9A 1.956(2) . ?
C103 Fe9 2.158(2) . ?
C103 H103 0.9500 . ?
Fe9 C106 1.890(4) . ?
Fe9 C105 2.056(4) . ?
Fe9 C107 2.092(5) . ?
Fe9 C104 2.319(4) . ?
Fe9 C108 2.345(4) . ?
C104 C105 1.427(4) . ?
C104 C108 1.430(4) . ?
C104 H10C 1.0000 . ?
C105 C106 1.425(4) . ?
C105 H10D 1.0000 . ?
C106 C107 1.426(4) . ?
C106 H10E 1.0000 . ?
C107 C108 1.426(4) . ?
C107 H10F 1.0000 . ?
C108 H10G 1.0000 . ?
Fe9A C149 1.875(5) . ?
Fe9A C145 1.892(4) . ?
Fe9A C148 2.157(5) . ?
Fe9A C146 2.179(4) . ?
Fe9A C147 2.331(4) . ?
C145 C146 1.418(4) . ?
C145 C149 1.429(4) . ?
C145 H14C 1.0000 . ?
C146 C147 1.426(4) . ?
C146 H14D 1.0000 . ?
C147 C148 1.430(4) . ?
C147 H14E 1.0000 . ?
C148 C149 1.423(4) . ?
C148 H14F 1.0000 . ?
C149 H14G 1.0000 . ?
C109 C110 1.542(2) . ?
C109 H10H 0.9900 . ?
C109 H10I 0.9900 . ?
C110 C111 1.506(3) . ?
C110 H11C 0.9900 . ?
C110 H11D 0.9900 . ?
C111 C115 1.433(2) . ?
C111 C112 1.434(2) . ?
C112 C113 1.426(3) . ?
C112 H11E 1.0000 . ?
C113 C114 1.424(3) . ?
C113 H11F 1.0000 . ?
C114 C115 1.426(3) . ?
C114 H11G 1.0000 . ?
C115 H11H 1.0000 . ?
C116 C120 1.425(4) . ?
C116 C117 1.426(4) . ?
C116 H11I 1.0000 . ?
C117 C118 1.420(3) . ?
C117 H11J 1.0000 . ?
C118 C119 1.422(3) . ?
C118 H11K 1.0000 . ?
C119 C120 1.423(3) . ?
C119 H11L 1.0000 . ?
C120 H12C 1.0000 . ?
C121 C122 1.532(2) . ?
C121 H12D 0.9900 . ?
C121 H12E 0.9900 . ?
C122 C123 1.499(2) . ?
C122 H12F 0.9900 . ?
C122 H12G 0.9900 . ?
C123 C124 1.428(2) . ?
C123 C127 1.432(2) . ?
C124 C125 1.429(2) . ?
C124 H12H 1.0000 . ?
C125 C126 1.424(3) . ?
C125 H12I 1.0000 . ?
C126 C127 1.427(2) . ?
C126 H12J 1.0000 . ?
C127 H12K 1.0000 . ?
C128 C132 1.403(3) . ?
C128 C129 1.424(4) . ?
C128 H12L 1.0000 . ?
C129 C130 1.434(4) . ?
C129 H12M 1.0000 . ?
C130 C131 1.405(4) . ?
C130 H13C 1.0000 . ?
C131 C132 1.407(3) . ?
C131 H13D 1.0000 . ?
C132 H13E 1.0000 . ?
C133 C134 1.535(3) . ?
C133 H13F 0.9900 . ?
C133 H13G 0.9900 . ?
C134 C150 1.497(2) . ?
C134 C135 1.497(2) . ?
C134 H13L 0.9900 . ?
C134 H13M 0.9900 . ?
C134 H13N 0.9900 . ?
C134 H13O 0.9900 . ?
Fe12 C144 1.830(5) . ?
Fe12 C143 1.890(5) . ?
Fe12 C140 1.909(6) . ?
Fe12 C142 2.006(6) . ?
Fe12 C141 2.009(6) . ?
Fe12 C139 2.082(7) . ?
Fe12 C135 2.111(5) . ?
Fe12 C138 2.134(6) . ?
Fe12 C137 2.253(5) . ?
Fe12 C136 2.273(7) . ?
C135 C139 1.419(3) . ?
C135 C136 1.423(3) . ?
C136 C137 1.427(4) . ?
C136 H13H 1.0000 . ?
C137 C138 1.423(4) . ?
C137 H13I 1.0000 . ?
C138 C139 1.425(4) . ?
C138 H13J 1.0000 . ?
C139 H13K 1.0000 . ?
C140 C144 1.423(4) . ?
C140 C141 1.427(4) . ?
C140 H14H 1.0000 . ?
C141 C142 1.434(3) . ?
C141 H14I 1.0000 . ?
C142 C143 1.422(3) . ?
C142 H14J 1.0000 . ?
C143 C144 1.422(4) . ?
C143 H14K 1.0000 . ?
C144 H14L 1.0000 . ?
Fe13 C151 1.837(7) . ?
Fe13 C152 1.880(6) . ?
Fe13 C150 1.994(5) . ?
Fe13 C153 2.006(6) . ?
Fe13 C154 2.048(7) . ?
Fe13 C156 2.088(7) . ?
Fe13 C155 2.153(7) . ?
Fe13 C157 2.155(6) . ?
Fe13 C159 2.248(5) . ?
Fe13 C158 2.250(6) . ?
C150 C154 1.436(3) . ?
C150 C151 1.442(4) . ?
C151 C152 1.424(4) . ?
C151 H15A 1.0000 . ?
C152 C153 1.423(4) . ?
C152 H15B 1.0000 . ?
C153 C154 1.426(4) . ?
C153 H15C 1.0000 . ?
C154 H15D 1.0000 . ?
C155 C159 1.418(4) . ?
C155 C156 1.426(4) . ?
C155 H15E 1.0000 . ?
C156 C157 1.425(4) . ?
C156 H15F 1.0000 . ?
C157 C158 1.420(4) . ?
C157 H15G 1.0000 . ?
C158 C159 1.426(4) . ?
C158 H15H 1.0000 . ?
C159 H15I 1.0000 . ?
C1S Cl1S 1.749(3) . ?
C1S Cl2S 1.756(3) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C2S Cl4S 1.663(3) . ?
C2S Cl3A 1.700(3) . ?
C2S Cl3S 1.727(2) . ?
C2S Cl4A 1.815(2) . ?
C2S H2SA 0.9900 . ?
C2S H2SB 0.9900 . ?
C2S H2SC 0.9900 . ?
C2S H2SD 0.9900 . ?
C3S Cl5S 1.729(5) . ?
C3S Cl6S 1.911(6) . ?
C3S H3SA 0.9900 . ?
C3S H3SB 0.9900 . ?
C3A Cl5A 1.764(6) . ?
C3A Cl6A 1.989(6) . ?
C3A H3AA 0.9900 . ?
C3A H3AB 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Ag1 Cl2 153.174(14) . . ?
P1 Ag1 Cl1 110.196(16) . . ?
Cl2 Ag1 Cl1 96.601(18) . . ?
P2 Ag2 Cl4 142.690(16) . . ?
P2 Ag2 Cl1 106.12(2) . . ?
Cl4 Ag2 Cl1 101.072(18) . . ?
P2 Ag2 Cl2 113.359(17) . . ?
Cl4 Ag2 Cl2 91.690(18) . . ?
Cl1 Ag2 Cl2 89.448(16) . . ?
P3 Ag3 Cl3 141.028(16) . . ?
P3 Ag3 Cl1 108.521(19) . . ?
Cl3 Ag3 Cl1 99.986(19) . . ?
P3 Ag3 Cl4 114.258(16) . . ?
Cl3 Ag3 Cl4 88.251(18) . . ?
Cl1 Ag3 Cl4 95.289(17) . . ?
P4 Ag4 Cl3 129.269(17) . . ?
P4 Ag4 Cl4 126.836(16) . . ?
Cl3 Ag4 Cl4 91.299(18) . . ?
P4 Ag4 Cl2 107.591(18) . . ?
Cl3 Ag4 Cl2 105.604(18) . . ?
Cl4 Ag4 Cl2 87.917(18) . . ?
C11A Fe1 C12A 41.80(19) . . ?
C11A Fe1 C10A 41.7(2) . . ?
C12A Fe1 C10A 69.7(3) . . ?
C11A Fe1 C5 112.4(2) . . ?
C12A Fe1 C5 135.2(2) . . ?
C9 Fe1 C5 156.1(2) . . ?
C10A Fe1 C5 118.3(3) . . ?
C11A Fe1 C4 123.3(2) . . ?
C12A Fe1 C4 113.3(2) . . ?
C9 Fe1 C4 163.0(2) . . ?
C10A Fe1 C4 154.9(3) . . ?
C5 Fe1 C4 40.95(7) . . ?
C11A Fe1 C6 129.6(3) . . ?
C12A Fe1 C6 171.2(3) . . ?
C9 Fe1 C6 124.23(19) . . ?
C10A Fe1 C6 104.6(3) . . ?
C5 Fe1 C6 40.86(7) . . ?
C4 Fe1 C6 68.79(8) . . ?
C9 Fe1 C8 41.10(16) . . ?
C5 Fe1 C8 157.29(19) . . ?
C4 Fe1 C8 123.44(19) . . ?
C6 Fe1 C8 161.60(19) . . ?
C11A Fe1 C7 164.3(3) . . ?
C12A Fe1 C7 147.8(3) . . ?
C9 Fe1 C7 112.97(19) . . ?
C10A Fe1 C7 123.2(3) . . ?
C5 Fe1 C7 68.70(7) . . ?
C4 Fe1 C7 68.49(7) . . ?
C6 Fe1 C7 40.92(7) . . ?
C8 Fe1 C7 126.48(18) . . ?
C11A Fe1 C3 154.8(3) . . ?
C12A Fe1 C3 118.4(3) . . ?
C9 Fe1 C3 128.8(2) . . ?
C10A Fe1 C3 161.3(3) . . ?
C5 Fe1 C3 69.12(7) . . ?
C4 Fe1 C3 40.93(6) . . ?
C6 Fe1 C3 69.10(7) . . ?
C8 Fe1 C3 110.06(18) . . ?
C7 Fe1 C3 40.82(7) . . ?
C9 Fe1 C10 40.87(19) . . ?
C5 Fe1 C10 118.1(2) . . ?
C4 Fe1 C10 151.8(2) . . ?
C6 Fe1 C10 108.1(2) . . ?
C8 Fe1 C10 68.1(2) . . ?
C7 Fe1 C10 128.6(2) . . ?
C3 Fe1 C10 166.4(2) . . ?
C11A Fe1 C8A 68.7(3) . . ?
C12A Fe1 C8A 40.54(18) . . ?
C10A Fe1 C8A 68.0(3) . . ?
C5 Fe1 C8A 172.2(2) . . ?
C4 Fe1 C8A 131.6(2) . . ?
C6 Fe1 C8A 144.6(2) . . ?
C7 Fe1 C8A 112.5(2) . . ?
C3 Fe1 C8A 106.4(2) . . ?
C15 Fe2 C24 117.91(7) . . ?
C15 Fe2 C19 41.29(6) . . ?
C24 Fe2 C19 106.32(8) . . ?
C15 Fe2 C20 105.80(7) . . ?
C24 Fe2 C20 40.91(9) . . ?
C19 Fe2 C20 124.91(8) . . ?
C15 Fe2 C23 153.26(8) . . ?
C24 Fe2 C23 40.90(8) . . ?
C19 Fe2 C23 119.03(8) . . ?
C20 Fe2 C23 68.82(8) . . ?
C15 Fe2 C16 41.10(6) . . ?
C24 Fe2 C16 153.48(7) . . ?
C19 Fe2 C16 68.75(7) . . ?
C20 Fe2 C16 119.22(8) . . ?
C23 Fe2 C16 164.49(7) . . ?
C15 Fe2 C22 163.59(8) . . ?
C24 Fe2 C22 68.73(8) . . ?
C19 Fe2 C22 154.46(8) . . ?
C20 Fe2 C22 68.68(8) . . ?
C23 Fe2 C22 40.84(9) . . ?
C16 Fe2 C22 126.90(8) . . ?
C15 Fe2 C21 125.20(7) . . ?
C24 Fe2 C21 68.85(9) . . ?
C19 Fe2 C21 162.91(7) . . ?
C20 Fe2 C21 40.91(9) . . ?
C23 Fe2 C21 68.77(9) . . ?
C16 Fe2 C21 107.83(8) . . ?
C22 Fe2 C21 40.72(8) . . ?
C15 Fe2 C18 69.49(6) . . ?
C24 Fe2 C18 125.57(9) . . ?
C19 Fe2 C18 40.97(6) . . ?
C20 Fe2 C18 162.89(8) . . ?
C23 Fe2 C18 107.57(8) . . ?
C16 Fe2 C18 68.72(7) . . ?
C22 Fe2 C18 120.28(7) . . ?
C21 Fe2 C18 154.97(8) . . ?
C15 Fe2 C17 69.23(6) . . ?
C24 Fe2 C17 163.57(8) . . ?
C19 Fe2 C17 68.52(7) . . ?
C20 Fe2 C17 154.76(8) . . ?
C23 Fe2 C17 126.72(7) . . ?
C16 Fe2 C17 40.89(7) . . ?
C22 Fe2 C17 108.79(7) . . ?
C21 Fe2 C17 120.61(8) . . ?
C18 Fe2 C17 40.51(7) . . ?
C32 Fe3 C29 159.14(9) . . ?
C32 Fe3 C27 105.83(7) . . ?
C29 Fe3 C27 68.77(6) . . ?
C32 Fe3 C28 121.96(7) . . ?
C29 Fe3 C28 40.96(7) . . ?
C27 Fe3 C28 40.79(6) . . ?
C32 Fe3 C33 40.68(9) . . ?
C29 Fe3 C33 123.44(8) . . ?
C27 Fe3 C33 120.74(7) . . ?
C28 Fe3 C33 106.47(7) . . ?
C32 Fe3 C35 68.44(8) . . ?
C29 Fe3 C35 123.47(7) . . ?
C27 Fe3 C35 159.60(7) . . ?
C28 Fe3 C35 158.88(7) . . ?
C33 Fe3 C35 68.49(7) . . ?
C32 Fe3 C36 40.92(8) . . ?
C29 Fe3 C36 158.93(8) . . ?
C27 Fe3 C36 122.38(7) . . ?
C28 Fe3 C36 158.60(7) . . ?
C33 Fe3 C36 68.71(8) . . ?
C35 Fe3 C36 40.61(7) . . ?
C32 Fe3 C31 121.40(8) . . ?
C29 Fe3 C31 68.49(7) . . ?
C27 Fe3 C31 40.82(6) . . ?
C28 Fe3 C31 68.56(7) . . ?
C33 Fe3 C31 156.90(7) . . ?
C35 Fe3 C31 124.15(7) . . ?
C36 Fe3 C31 107.25(8) . . ?
C32 Fe3 C30 158.00(9) . . ?
C29 Fe3 C30 40.71(9) . . ?
C27 Fe3 C30 68.83(6) . . ?
C28 Fe3 C30 68.76(8) . . ?
C33 Fe3 C30 160.46(8) . . ?
C35 Fe3 C30 108.74(7) . . ?
C36 Fe3 C30 122.66(9) . . ?
C31 Fe3 C30 40.77(7) . . ?
C32 Fe3 C34 68.41(8) . . ?
C29 Fe3 C34 108.34(7) . . ?
C27 Fe3 C34 157.23(7) . . ?
C28 Fe3 C34 122.19(7) . . ?
C33 Fe3 C34 40.65(7) . . ?
C35 Fe3 C34 40.76(7) . . ?
C36 Fe3 C34 68.58(8) . . ?
C31 Fe3 C34 160.99(6) . . ?
C30 Fe3 C34 124.66(7) . . ?
C56 Fe5 C60 40.86(10) . . ?
C56 Fe5 C54 177.06(10) . . ?
C60 Fe5 C54 137.81(10) . . ?
C56 Fe5 C55 136.16(9) . . ?
C60 Fe5 C55 109.66(9) . . ?
C54 Fe5 C55 40.90(9) . . ?
C56 Fe5 C57 40.70(9) . . ?
C60 Fe5 C57 68.41(8) . . ?
C54 Fe5 C57 142.24(10) . . ?
C55 Fe5 C57 176.73(9) . . ?
C56 Fe5 C59 68.20(9) . . ?
C60 Fe5 C59 40.56(11) . . ?
C54 Fe5 C59 112.42(9) . . ?
C55 Fe5 C59 112.65(9) . . ?
C57 Fe5 C59 67.78(9) . . ?
C56 Fe5 C52 110.87(8) . . ?
C60 Fe5 C52 139.10(10) . . ?
C54 Fe5 C52 68.55(8) . . ?
C55 Fe5 C52 68.46(8) . . ?
C57 Fe5 C52 111.10(8) . . ?
C59 Fe5 C52 178.87(9) . . ?
C56 Fe5 C51 108.49(8) . . ?
C60 Fe5 C51 109.88(9) . . ?
C54 Fe5 C51 69.09(8) . . ?
C55 Fe5 C51 40.98(7) . . ?
C57 Fe5 C51 136.65(9) . . ?
C59 Fe5 C51 139.88(10) . . ?
C52 Fe5 C51 40.83(8) . . ?
C56 Fe5 C58 67.99(9) . . ?
C60 Fe5 C58 67.93(9) . . ?
C54 Fe5 C58 114.43(9) . . ?
C55 Fe5 C58 142.03(9) . . ?
C57 Fe5 C58 40.24(10) . . ?
C59 Fe5 C58 40.01(11) . . ?
C52 Fe5 C58 139.21(10) . . ?
C51 Fe5 C58 176.45(8) . . ?
C56 Fe5 C53 140.58(9) . . ?
C60 Fe5 C53 178.29(9) . . ?
C54 Fe5 C53 40.69(9) . . ?
C55 Fe5 C53 68.65(9) . . ?
C57 Fe5 C53 113.29(9) . . ?
C59 Fe5 C53 139.52(10) . . ?
C52 Fe5 C53 40.87(8) . . ?
C51 Fe5 C53 69.07(9) . . ?
C58 Fe5 C53 113.18(9) . . ?
C76 Fe7 C77 41.05(7) . . ?
C76 Fe7 C82 118.07(7) . . ?
C77 Fe7 C82 107.11(7) . . ?
C76 Fe7 C81 105.79(7) . . ?
C77 Fe7 C81 125.22(8) . . ?
C82 Fe7 C81 40.64(8) . . ?
C76 Fe7 C84 163.25(7) . . ?
C77 Fe7 C84 155.07(7) . . ?
C82 Fe7 C84 68.33(7) . . ?
C81 Fe7 C84 68.25(8) . . ?
C76 Fe7 C75 40.97(6) . . ?
C77 Fe7 C75 68.96(7) . . ?
C82 Fe7 C75 152.49(7) . . ?
C81 Fe7 C75 118.00(7) . . ?
C84 Fe7 C75 126.64(7) . . ?
C76 Fe7 C80 124.85(7) . . ?
C77 Fe7 C80 162.55(8) . . ?
C82 Fe7 C80 68.36(8) . . ?
C81 Fe7 C80 40.54(9) . . ?
C84 Fe7 C80 40.65(8) . . ?
C75 Fe7 C80 106.82(7) . . ?
C76 Fe7 C83 153.45(7) . . ?
C77 Fe7 C83 119.81(7) . . ?
C82 Fe7 C83 40.69(7) . . ?
C81 Fe7 C83 68.44(7) . . ?
C84 Fe7 C83 40.70(8) . . ?
C75 Fe7 C83 164.94(7) . . ?
C80 Fe7 C83 68.52(8) . . ?
C76 Fe7 C79 68.66(6) . . ?
C77 Fe7 C79 68.53(7) . . ?
C82 Fe7 C79 165.12(7) . . ?
C81 Fe7 C79 153.48(8) . . ?
C84 Fe7 C79 109.24(7) . . ?
C75 Fe7 C79 40.81(6) . . ?
C80 Fe7 C79 120.07(8) . . ?
C83 Fe7 C79 127.99(7) . . ?
C76 Fe7 C78 68.73(7) . . ?
C77 Fe7 C78 40.74(7) . . ?
C82 Fe7 C78 127.07(8) . . ?
C81 Fe7 C78 163.64(8) . . ?
C84 Fe7 C78 121.25(7) . . ?
C75 Fe7 C78 68.67(6) . . ?
C80 Fe7 C78 155.11(8) . . ?
C83 Fe7 C78 109.15(7) . . ?
C79 Fe7 C78 40.56(7) . . ?
C89 Fe8 C88 40.82(11) . . ?
C89 Fe8 C90 40.62(12) . . ?
C88 Fe8 C90 68.58(11) . . ?
C89 Fe8 C96 161.09(12) . . ?
C88 Fe8 C96 124.04(10) . . ?
C90 Fe8 C96 156.73(10) . . ?
C89 Fe8 C95 156.28(11) . . ?
C88 Fe8 C95 162.16(10) . . ?
C90 Fe8 C95 121.93(11) . . ?
C96 Fe8 C95 40.86(10) . . ?
C89 Fe8 C92 124.36(11) . . ?
C88 Fe8 C92 105.89(10) . . ?
C90 Fe8 C92 162.21(10) . . ?
C96 Fe8 C92 40.26(9) . . ?
C95 Fe8 C92 68.34(9) . . ?
C89 Fe8 C87 68.83(8) . . ?
C88 Fe8 C87 40.96(7) . . ?
C90 Fe8 C87 68.78(8) . . ?
C96 Fe8 C87 106.89(8) . . ?
C95 Fe8 C87 125.69(8) . . ?
C92 Fe8 C87 118.88(8) . . ?
C89 Fe8 C94 120.58(10) . . ?
C88 Fe8 C94 154.76(9) . . ?
C90 Fe8 C94 108.62(10) . . ?
C96 Fe8 C94 68.67(10) . . ?
C95 Fe8 C94 40.71(9) . . ?
C92 Fe8 C94 68.73(10) . . ?
C87 Fe8 C94 163.45(8) . . ?
C89 Fe8 C93 107.28(9) . . ?
C88 Fe8 C93 119.11(9) . . ?
C90 Fe8 C93 126.06(10) . . ?
C96 Fe8 C93 67.98(9) . . ?
C95 Fe8 C93 68.23(9) . . ?
C92 Fe8 C93 40.55(10) . . ?
C87 Fe8 C93 153.83(9) . . ?
C94 Fe8 C93 40.87(10) . . ?
C89 Fe8 C91 68.66(9) . . ?
C88 Fe8 C91 68.64(8) . . ?
C90 Fe8 C91 40.97(8) . . ?
C96 Fe8 C91 120.89(8) . . ?
C95 Fe8 C91 108.87(9) . . ?
C92 Fe8 C91 154.54(9) . . ?
C87 Fe8 C91 40.72(7) . . ?
C94 Fe8 C91 126.73(9) . . ?
C93 Fe8 C91 164.01(10) . . ?
C112 Fe10 C116 103.39(9) . . ?
C112 Fe10 C117 117.06(8) . . ?
C116 Fe10 C117 41.05(11) . . ?
C112 Fe10 C111 41.28(7) . . ?
C116 Fe10 C111 115.74(9) . . ?
C117 Fe10 C111 151.18(9) . . ?
C112 Fe10 C115 68.83(7) . . ?
C116 Fe10 C115 152.52(10) . . ?
C117 Fe10 C115 166.06(9) . . ?
C111 Fe10 C115 41.12(7) . . ?
C112 Fe10 C120 123.04(9) . . ?
C116 Fe10 C120 40.94(11) . . ?
C117 Fe10 C120 68.62(10) . . ?
C111 Fe10 C120 105.13(8) . . ?
C115 Fe10 C120 120.02(9) . . ?
C112 Fe10 C113 40.95(8) . . ?
C116 Fe10 C113 123.65(10) . . ?
C117 Fe10 C113 107.02(9) . . ?
C111 Fe10 C113 69.25(7) . . ?
C115 Fe10 C113 68.47(8) . . ?
C120 Fe10 C113 160.90(9) . . ?
C112 Fe10 C114 68.79(8) . . ?
C116 Fe10 C114 162.69(11) . . ?
C117 Fe10 C114 127.46(10) . . ?
C111 Fe10 C114 69.23(7) . . ?
C115 Fe10 C114 40.73(8) . . ?
C120 Fe10 C114 156.19(10) . . ?
C113 Fe10 C114 40.60(8) . . ?
C112 Fe10 C118 153.50(7) . . ?
C116 Fe10 C118 68.74(9) . . ?
C117 Fe10 C118 40.58(9) . . ?
C111 Fe10 C118 165.13(7) . . ?
C115 Fe10 C118 129.45(8) . . ?
C120 Fe10 C118 68.34(8) . . ?
C113 Fe10 C118 121.25(8) . . ?
C114 Fe10 C118 111.01(8) . . ?
C112 Fe10 C119 161.96(8) . . ?
C116 Fe10 C119 68.64(9) . . ?
C117 Fe10 C119 68.24(8) . . ?
C111 Fe10 C119 126.17(7) . . ?
C115 Fe10 C119 110.37(8) . . ?
C120 Fe10 C119 40.60(9) . . ?
C113 Fe10 C119 156.81(8) . . ?
C114 Fe10 C119 123.18(8) . . ?
C118 Fe10 C119 40.42(7) . . ?
C125 Fe11 C129 123.08(10) . . ?
C125 Fe11 C130 106.22(9) . . ?
C129 Fe11 C130 41.20(11) . . ?
C125 Fe11 C126 40.92(9) . . ?
C129 Fe11 C126 158.90(10) . . ?
C130 Fe11 C126 121.54(9) . . ?
C125 Fe11 C128 160.58(10) . . ?
C129 Fe11 C128 40.88(10) . . ?
C130 Fe11 C128 68.70(9) . . ?
C126 Fe11 C128 157.82(10) . . ?
C125 Fe11 C127 68.77(8) . . ?
C129 Fe11 C127 159.13(9) . . ?
C130 Fe11 C127 158.23(9) . . ?
C126 Fe11 C127 40.92(7) . . ?
C128 Fe11 C127 122.91(8) . . ?
C125 Fe11 C124 40.95(7) . . ?
C129 Fe11 C124 108.19(9) . . ?
C130 Fe11 C124 122.53(9) . . ?
C126 Fe11 C124 68.73(8) . . ?
C128 Fe11 C124 124.81(8) . . ?
C127 Fe11 C124 68.41(8) . . ?
C125 Fe11 C131 121.14(8) . . ?
C129 Fe11 C131 68.21(9) . . ?
C130 Fe11 C131 40.20(10) . . ?
C126 Fe11 C131 106.28(8) . . ?
C128 Fe11 C131 67.84(8) . . ?
C127 Fe11 C131 122.92(9) . . ?
C124 Fe11 C131 157.70(8) . . ?
C125 Fe11 C132 157.06(8) . . ?
C129 Fe11 C132 68.03(10) . . ?
C130 Fe11 C132 67.87(9) . . ?
C126 Fe11 C132 121.74(9) . . ?
C128 Fe11 C132 40.11(9) . . ?
C127 Fe11 C132 108.03(8) . . ?
C124 Fe11 C132 160.87(7) . . ?
C131 Fe11 C132 40.15(8) . . ?
C125 Fe11 C123 69.00(7) . . ?
C129 Fe11 C123 123.12(9) . . ?
C130 Fe11 C123 159.03(9) . . ?
C126 Fe11 C123 69.04(7) . . ?
C128 Fe11 C123 108.66(7) . . ?
C127 Fe11 C123 40.87(7) . . ?
C124 Fe11 C123 40.68(7) . . ?
C131 Fe11 C123 159.79(8) . . ?
C132 Fe11 C123 124.39(7) . . ?
Ag3 Cl1 Ag1 90.377(19) . . ?
Ag3 Cl1 Ag2 80.928(17) . . ?
Ag1 Cl1 Ag2 84.412(16) . . ?
Ag1 Cl2 Ag2 88.417(17) . . ?
Ag1 Cl2 Ag4 81.433(17) . . ?
Ag2 Cl2 Ag4 84.504(17) . . ?
Ag3 Cl3 Ag4 92.87(2) . . ?
Ag2 Cl4 Ag4 93.509(18) . . ?
Ag2 Cl4 Ag3 81.937(18) . . ?
Ag4 Cl4 Ag3 84.778(18) . . ?
C25 P1 C13 102.71(7) . . ?
C25 P1 C1 100.98(7) . . ?
C13 P1 C1 104.44(7) . . ?
C25 P1 Ag1 110.25(5) . . ?
C13 P1 Ag1 121.86(5) . . ?
C1 P1 Ag1 114.11(5) . . ?
C49 P2 C37 97.67(14) . . ?
C49 P2 C61 101.21(8) . . ?
C37 P2 C61 111.66(17) . . ?
C49 P2 C37A 110.60(17) . . ?
C61 P2 C37A 94.97(15) . . ?
C49 P2 Ag2 113.53(6) . . ?
C37 P2 Ag2 112.48(14) . . ?
C61 P2 Ag2 117.92(7) . . ?
C37A P2 Ag2 116.35(12) . . ?
C73 P3 C97 105.18(7) . . ?
C73 P3 C85 104.39(7) . . ?
C97 P3 C85 104.23(7) . . ?
C73 P3 Ag3 114.10(5) . . ?
C97 P3 Ag3 113.86(5) . . ?
C85 P3 Ag3 114.00(5) . . ?
C109 P4 C133 105.90(9) . . ?
C109 P4 C121 102.04(7) . . ?
C133 P4 C121 103.59(7) . . ?
C109 P4 Ag4 115.68(6) . . ?
C133 P4 Ag4 114.64(5) . . ?
C121 P4 Ag4 113.52(6) . . ?
C2 C1 P1 114.22(11) . . ?
C2 C1 H1A 108.7 . . ?
P1 C1 H1A 108.7 . . ?
C2 C1 H1B 108.7 . . ?
P1 C1 H1B 108.7 . . ?
H1A C1 H1B 107.6 . . ?
C3 C2 C1 112.66(13) . . ?
C3 C2 H2A 109.1 . . ?
C1 C2 H2A 109.1 . . ?
C3 C2 H2B 109.1 . . ?
C1 C2 H2B 109.1 . . ?
H2A C2 H2B 107.8 . . ?
C7 C3 C4 107.11(14) . . ?
C7 C3 C2 127.49(13) . . ?
C4 C3 C2 125.39(14) . . ?
C7 C3 Fe1 69.50(10) . . ?
C4 C3 Fe1 69.08(9) . . ?
C2 C3 Fe1 127.34(11) . . ?
C5 C4 C3 108.61(14) . . ?
C5 C4 Fe1 69.49(10) . . ?
C3 C4 Fe1 69.99(9) . . ?
C5 C4 H4A 125.7 . . ?
C3 C4 H4A 125.7 . . ?
Fe1 C4 H4A 125.7 . . ?
C6 C5 C4 107.89(14) . . ?
C6 C5 Fe1 69.61(10) . . ?
C4 C5 Fe1 69.56(10) . . ?
C6 C5 H5A 126.1 . . ?
C4 C5 H5A 126.1 . . ?
Fe1 C5 H5A 126.1 . . ?
C5 C6 C7 107.88(16) . . ?
C5 C6 Fe1 69.52(10) . . ?
C7 C6 Fe1 69.89(10) . . ?
C5 C6 H6A 126.1 . . ?
C7 C6 H6A 126.1 . . ?
Fe1 C6 H6A 126.1 . . ?
C3 C7 C6 108.50(14) . . ?
C3 C7 Fe1 69.68(9) . . ?
C6 C7 Fe1 69.19(10) . . ?
C3 C7 H7A 125.7 . . ?
C6 C7 H7A 125.7 . . ?
Fe1 C7 H7A 125.7 . . ?
C12 C8 C9 108.2(3) . . ?
C12 C8 Fe1 72.0(4) . . ?
C9 C8 Fe1 68.2(4) . . ?
C12 C8 H8A 125.9 . . ?
C9 C8 H8A 125.9 . . ?
Fe1 C8 H8A 125.9 . . ?
C10 C9 C8 107.7(3) . . ?
C10 C9 Fe1 71.5(5) . . ?
C8 C9 Fe1 70.7(4) . . ?
C10 C9 H9A 126.1 . . ?
C8 C9 H9A 126.1 . . ?
Fe1 C9 H9A 126.1 . . ?
C9 C10 C11 108.3(3) . . ?
C9 C10 Fe1 67.7(4) . . ?
C11 C10 Fe1 71.4(5) . . ?
C9 C10 H10A 125.9 . . ?
C11 C10 H10A 125.9 . . ?
Fe1 C10 H10A 125.9 . . ?
C12 C11 C10 107.7(3) . . ?
C12 C11 Fe1 70.1(4) . . ?
C10 C11 Fe1 68.5(5) . . ?
C12 C11 H11A 126.1 . . ?
C10 C11 H11A 126.2 . . ?
Fe1 C11 H11A 126.2 . . ?
C8 C12 C11 108.1(3) . . ?
C8 C12 Fe1 67.9(4) . . ?
C11 C12 Fe1 70.3(4) . . ?
C8 C12 H12A 125.9 . . ?
C11 C12 H12A 125.9 . . ?
Fe1 C12 H12A 125.9 . . ?
C12A C8A C9A 108.2(3) . . ?
C12A C8A Fe1 66.4(4) . . ?
C9A C8A Fe1 70.6(4) . . ?
C12A C8A H8AA 125.9 . . ?
C9A C8A H8AA 125.9 . . ?
Fe1 C8A H8AA 125.9 . . ?
C8A C9A C10A 107.7(3) . . ?
C8A C9A Fe1 69.7(4) . . ?
C10A C9A Fe1 66.8(5) . . ?
C8A C9A H9AA 126.1 . . ?
C10A C9A H9AA 126.1 . . ?
Fe1 C9A H9AA 126.1 . . ?
C9A C10A C11A 108.2(3) . . ?
C9A C10A Fe1 72.9(5) . . ?
C11A C10A Fe1 67.7(5) . . ?
C9A C10A H10B 125.9 . . ?
C11A C10A H10B 125.9 . . ?
Fe1 C10A H10B 125.9 . . ?
C12A C11A C10A 107.8(3) . . ?
C12A C11A Fe1 69.9(5) . . ?
C10A C11A Fe1 70.6(6) . . ?
C12A C11A H11B 126.1 . . ?
C10A C11A H11B 126.1 . . ?
Fe1 C11A H11B 126.1 . . ?
C8A C12A C11A 108.1(3) . . ?
C8A C12A Fe1 73.1(4) . . ?
C11A C12A Fe1 68.3(5) . . ?
C8A C12A H12B 125.9 . . ?
C11A C12A H12B 125.9 . . ?
Fe1 C12A H12B 125.9 . . ?
C14 C13 P1 113.58(10) . . ?
C14 C13 H13A 108.8 . . ?
P1 C13 H13A 108.8 . . ?
C14 C13 H13B 108.8 . . ?
P1 C13 H13B 108.8 . . ?
H13A C13 H13B 107.7 . . ?
C15 C14 C13 111.68(12) . . ?
C15 C14 H14A 109.3 . . ?
C13 C14 H14A 109.3 . . ?
C15 C14 H14B 109.3 . . ?
C13 C14 H14B 109.3 . . ?
H14A C14 H14B 107.9 . . ?
C16 C15 C19 107.12(13) . . ?
C16 C15 C14 126.82(14) . . ?
C19 C15 C14 126.05(14) . . ?
C16 C15 Fe2 69.95(8) . . ?
C19 C15 Fe2 69.63(8) . . ?
C14 C15 Fe2 125.98(10) . . ?
C17 C16 C15 108.25(14) . . ?
C17 C16 Fe2 69.74(9) . . ?
C15 C16 Fe2 68.96(8) . . ?
C17 C16 H16A 125.9 . . ?
C15 C16 H16A 125.9 . . ?
Fe2 C16 H16A 125.9 . . ?
C18 C17 C16 108.39(14) . . ?
C18 C17 Fe2 69.76(10) . . ?
C16 C17 Fe2 69.37(9) . . ?
C18 C17 H17A 125.8 . . ?
C16 C17 H17A 125.8 . . ?
Fe2 C17 H17A 125.8 . . ?
C17 C18 C19 107.69(14) . . ?
C17 C18 Fe2 69.74(9) . . ?
C19 C18 Fe2 69.09(9) . . ?
C17 C18 H18A 126.2 . . ?
C19 C18 H18A 126.2 . . ?
Fe2 C18 H18A 126.2 . . ?
C18 C19 C15 108.52(15) . . ?
C18 C19 Fe2 69.93(9) . . ?
C15 C19 Fe2 69.09(8) . . ?
C18 C19 H19A 125.7 . . ?
C15 C19 H19A 125.7 . . ?
Fe2 C19 H19A 125.7 . . ?
C24 C20 C21 107.95(17) . . ?
C24 C20 Fe2 69.33(11) . . ?
C21 C20 Fe2 69.75(10) . . ?
C24 C20 H20A 126.0 . . ?
C21 C20 H20A 126.0 . . ?
Fe2 C20 H20A 126.0 . . ?
C22 C21 C20 107.83(19) . . ?
C22 C21 Fe2 69.58(11) . . ?
C20 C21 Fe2 69.34(11) . . ?
C22 C21 H21A 126.1 . . ?
C20 C21 H21A 126.1 . . ?
Fe2 C21 H21A 126.1 . . ?
C21 C22 C23 108.25(17) . . ?
C21 C22 Fe2 69.69(10) . . ?
C23 C22 Fe2 69.48(9) . . ?
C21 C22 H22A 125.9 . . ?
C23 C22 H22A 125.9 . . ?
Fe2 C22 H22A 125.9 . . ?
C24 C23 C22 107.80(18) . . ?
C24 C23 Fe2 69.29(9) . . ?
C22 C23 Fe2 69.68(9) . . ?
C24 C23 H23A 126.1 . . ?
C22 C23 H23A 126.1 . . ?
Fe2 C23 H23A 126.1 . . ?
C23 C24 C20 108.17(19) . . ?
C23 C24 Fe2 69.81(10) . . ?
C20 C24 Fe2 69.76(10) . . ?
C23 C24 H24A 125.9 . . ?
C20 C24 H24A 125.9 . . ?
Fe2 C24 H24A 125.9 . . ?
C26 C25 P1 114.74(10) . . ?
C26 C25 H25A 108.6 . . ?
P1 C25 H25A 108.6 . . ?
C26 C25 H25B 108.6 . . ?
P1 C25 H25B 108.6 . . ?
H25A C25 H25B 107.6 . . ?
C27 C26 C25 108.21(12) . . ?
C27 C26 H26A 110.1 . . ?
C25 C26 H26A 110.1 . . ?
C27 C26 H26B 110.1 . . ?
C25 C26 H26B 110.1 . . ?
H26A C26 H26B 108.4 . . ?
C28 C27 C31 107.91(13) . . ?
C28 C27 C26 126.92(14) . . ?
C31 C27 C26 124.88(14) . . ?
C28 C27 Fe3 69.65(9) . . ?
C31 C27 Fe3 69.82(8) . . ?
C26 C27 Fe3 130.84(11) . . ?
C27 C28 C29 107.90(16) . . ?
C27 C28 Fe3 69.56(9) . . ?
C29 C28 Fe3 69.47(10) . . ?
C27 C28 H28A 126.0 . . ?
C29 C28 H28A 126.0 . . ?
Fe3 C28 H28A 126.0 . . ?
C30 C29 C28 108.23(14) . . ?
C30 C29 Fe3 69.91(11) . . ?
C28 C29 Fe3 69.57(10) . . ?
C30 C29 H29A 125.9 . . ?
C28 C29 H29A 125.9 . . ?
Fe3 C29 H29A 125.9 . . ?
C29 C30 C31 107.72(14) . . ?
C29 C30 Fe3 69.39(10) . . ?
C31 C30 Fe3 69.59(10) . . ?
C29 C30 H30A 126.1 . . ?
C31 C30 H30A 126.1 . . ?
Fe3 C30 H30A 126.1 . . ?
C27 C31 C30 108.23(16) . . ?
C27 C31 Fe3 69.36(9) . . ?
C30 C31 Fe3 69.63(10) . . ?
C27 C31 H31A 125.9 . . ?
C30 C31 H31A 125.9 . . ?
Fe3 C31 H31A 125.9 . . ?
C33 C32 C36 108.23(16) . . ?
C33 C32 Fe3 69.76(11) . . ?
C36 C32 Fe3 69.73(11) . . ?
C33 C32 H32A 125.9 . . ?
C36 C32 H32A 125.9 . . ?
Fe3 C32 H32A 125.9 . . ?
C32 C33 C34 108.03(16) . . ?
C32 C33 Fe3 69.56(11) . . ?
C34 C33 Fe3 69.86(10) . . ?
C32 C33 H33A 126.0 . . ?
C34 C33 H33A 126.0 . . ?
Fe3 C33 H33A 126.0 . . ?
C33 C34 C35 107.84(16) . . ?
C33 C34 Fe3 69.49(10) . . ?
C35 C34 Fe3 69.47(9) . . ?
C33 C34 H34A 126.1 . . ?
C35 C34 H34A 126.1 . . ?
Fe3 C34 H34A 126.1 . . ?
C36 C35 C34 108.35(15) . . ?
C36 C35 Fe3 69.75(10) . . ?
C34 C35 Fe3 69.77(9) . . ?
C36 C35 H35A 125.8 . . ?
C34 C35 H35A 125.8 . . ?
Fe3 C35 H35A 125.8 . . ?
C35 C36 C32 107.54(17) . . ?
C35 C36 Fe3 69.64(11) . . ?
C32 C36 Fe3 69.35(11) . . ?
C35 C36 H36A 126.2 . . ?
C32 C36 H36A 126.2 . . ?
Fe3 C36 H36A 126.2 . . ?
C38 C37 P2 112.8(3) . . ?
C38 C37 H37A 109.0 . . ?
P2 C37 H37A 109.0 . . ?
C38 C37 H37B 109.0 . . ?
P2 C37 H37B 109.0 . . ?
H37A C37 H37B 107.8 . . ?
C37 C38 C39 107.7(3) . . ?
C37 C38 H38A 110.2 . . ?
C39 C38 H38A 110.2 . . ?
C37 C38 H38B 110.2 . . ?
C39 C38 H38B 110.2 . . ?
H38A C38 H38B 108.5 . . ?
C41 Fe4 C39 71.31(9) . . ?
C41 Fe4 C42 41.32(11) . . ?
C39 Fe4 C42 70.86(10) . . ?
C41 Fe4 C47 126.39(17) . . ?
C39 Fe4 C47 153.71(17) . . ?
C42 Fe4 C47 108.42(15) . . ?
C41 Fe4 C40 41.78(10) . . ?
C39 Fe4 C40 42.01(9) . . ?
C42 Fe4 C40 69.70(12) . . ?
C47 Fe4 C40 163.89(18) . . ?
C41 Fe4 C43 68.99(11) . . ?
C39 Fe4 C43 41.59(9) . . ?
C42 Fe4 C43 40.81(10) . . ?
C47 Fe4 C43 120.90(15) . . ?
C40 Fe4 C43 68.80(11) . . ?
C41 Fe4 C48 164.18(19) . . ?
C39 Fe4 C48 117.24(16) . . ?
C42 Fe4 C48 126.28(17) . . ?
C47 Fe4 C48 40.91(13) . . ?
C40 Fe4 C48 152.94(19) . . ?
C43 Fe4 C48 107.78(15) . . ?
C41 Fe4 C46 107.68(15) . . ?
C39 Fe4 C46 161.74(16) . . ?
C42 Fe4 C46 121.04(17) . . ?
C47 Fe4 C46 40.87(12) . . ?
C40 Fe4 C46 125.42(16) . . ?
C43 Fe4 C46 156.12(17) . . ?
C48 Fe4 C46 68.63(14) . . ?
C41 Fe4 C44 154.00(17) . . ?
C39 Fe4 C44 104.26(13) . . ?
C42 Fe4 C44 162.97(18) . . ?
C47 Fe4 C44 68.40(14) . . ?
C40 Fe4 C44 118.16(16) . . ?
C43 Fe4 C44 125.24(16) . . ?
C48 Fe4 C44 40.46(12) . . ?
C46 Fe4 C44 68.29(15) . . ?
C41 Fe4 C45 119.81(16) . . ?
C39 Fe4 C45 123.17(14) . . ?
C42 Fe4 C45 155.67(17) . . ?
C47 Fe4 C45 68.39(14) . . ?
C40 Fe4 C45 106.37(15) . . ?
C43 Fe4 C45 161.89(17) . . ?
C48 Fe4 C45 68.11(14) . . ?
C46 Fe4 C45 40.62(13) . . ?
C44 Fe4 C45 40.32(13) . . ?
C43 C39 C40 105.43(18) . . ?
C43 C39 C38 99.4(2) . . ?
C40 C39 C38 154.5(2) . . ?
C43 C39 Fe4 70.01(14) . . ?
C40 C39 Fe4 69.64(14) . . ?
C38 C39 Fe4 125.64(18) . . ?
C41 C40 C39 106.64(18) . . ?
C41 C40 Fe4 65.11(15) . . ?
C39 C40 Fe4 68.35(14) . . ?
C41 C40 H40A 126.5 . . ?
C39 C40 H40A 126.5 . . ?
Fe4 C40 H40A 126.5 . . ?
C42 C41 C40 111.05(18) . . ?
C42 C41 Fe4 73.07(17) . . ?
C40 C41 Fe4 73.11(16) . . ?
C42 C41 H41A 124.4 . . ?
C40 C41 H41A 124.4 . . ?
Fe4 C41 H41A 124.4 . . ?
C41 C42 C43 106.0(2) . . ?
C41 C42 Fe4 65.61(16) . . ?
C43 C42 Fe4 70.08(18) . . ?
C41 C42 H42A 127.0 . . ?
C43 C42 H42A 127.0 . . ?
Fe4 C42 H42A 127.0 . . ?
C42 C43 C39 110.2(2) . . ?
C42 C43 Fe4 69.11(18) . . ?
C39 C43 Fe4 68.41(13) . . ?
C42 C43 H43A 124.8 . . ?
C39 C43 H43A 124.8 . . ?
Fe4 C43 H43A 124.8 . . ?
C48 C44 C45 108.0(2) . . ?
C48 C44 Fe4 69.1(2) . . ?
C45 C44 Fe4 69.8(2) . . ?
C48 C44 H44A 126.0 . . ?
C45 C44 H44A 126.0 . . ?
Fe4 C44 H44A 126.0 . . ?
C44 C45 C46 108.1(2) . . ?
C44 C45 Fe4 69.9(2) . . ?
C46 C45 Fe4 68.9(3) . . ?
C44 C45 H45A 125.9 . . ?
C46 C45 H45A 125.9 . . ?
Fe4 C45 H45A 125.9 . . ?
C47 C46 C45 107.8(2) . . ?
C47 C46 Fe4 69.2(2) . . ?
C45 C46 Fe4 70.4(2) . . ?
C47 C46 H46A 126.1 . . ?
C45 C46 H46A 126.1 . . ?
Fe4 C46 H46A 126.1 . . ?
C46 C47 C48 108.0(2) . . ?
C46 C47 Fe4 69.9(2) . . ?
C48 C47 Fe4 70.1(2) . . ?
C46 C47 H47A 126.0 . . ?
C48 C47 H47A 126.0 . . ?
Fe4 C47 H47A 126.0 . . ?
C44 C48 C47 108.0(2) . . ?
C44 C48 Fe4 70.4(2) . . ?
C47 C48 Fe4 69.0(2) . . ?
C44 C48 H48A 126.0 . . ?
C47 C48 H48A 126.0 . . ?
Fe4 C48 H48A 126.0 . . ?
C38A C37A P2 115.8(3) . . ?
C38A C37A H37C 108.3 . . ?
P2 C37A H37C 108.3 . . ?
C38A C37A H37D 108.3 . . ?
P2 C37A H37D 108.3 . . ?
H37C C37A H37D 107.4 . . ?
C39A C38A C37A 112.9(3) . . ?
C39A C38A H38C 109.0 . . ?
C37A C38A H38C 109.0 . . ?
C39A C38A H38D 109.0 . . ?
C37A C38A H38D 109.0 . . ?
H38C C38A H38D 107.8 . . ?
C43A Fe4A C44A 156.33(19) . . ?
C43A Fe4A C48A 123.20(18) . . ?
C44A Fe4A C48A 41.29(13) . . ?
C43A Fe4A C45A 162.3(2) . . ?
C44A Fe4A C45A 41.35(14) . . ?
C48A Fe4A C45A 69.39(16) . . ?
C43A Fe4A C40A 69.44(16) . . ?
C44A Fe4A C40A 102.87(19) . . ?
C48A Fe4A C40A 122.97(19) . . ?
C45A Fe4A C40A 116.08(19) . . ?
C43A Fe4A C41A 69.63(19) . . ?
C44A Fe4A C41A 119.8(2) . . ?
C48A Fe4A C41A 158.3(2) . . ?
C45A Fe4A C41A 103.0(2) . . ?
C40A Fe4A C41A 40.68(15) . . ?
C43A Fe4A C46A 127.7(2) . . ?
C44A Fe4A C46A 69.12(16) . . ?
C48A Fe4A C46A 68.92(15) . . ?
C45A Fe4A C46A 40.88(14) . . ?
C40A Fe4A C46A 152.7(2) . . ?
C41A Fe4A C46A 119.3(2) . . ?
C43A Fe4A C47A 111.53(18) . . ?
C44A Fe4A C47A 68.88(15) . . ?
C48A Fe4A C47A 40.74(12) . . ?
C45A Fe4A C47A 68.74(15) . . ?
C40A Fe4A C47A 162.3(2) . . ?
C41A Fe4A C47A 157.0(2) . . ?
C46A Fe4A C47A 40.68(12) . . ?
C43A Fe4A C39A 39.44(11) . . ?
C44A Fe4A C39A 120.82(16) . . ?
C48A Fe4A C39A 110.46(14) . . ?
C45A Fe4A C39A 153.70(18) . . ?
C40A Fe4A C39A 40.47(11) . . ?
C41A Fe4A C39A 66.99(16) . . ?
C46A Fe4A C39A 165.26(18) . . ?
C47A Fe4A C39A 129.36(15) . . ?
C43A Fe4A C42A 41.57(12) . . ?
C44A Fe4A C42A 157.27(17) . . ?
C48A Fe4A C42A 161.15(17) . . ?
C45A Fe4A C42A 122.94(18) . . ?
C40A Fe4A C42A 67.03(14) . . ?
C41A Fe4A C42A 39.42(13) . . ?
C46A Fe4A C42A 110.00(16) . . ?
C47A Fe4A C42A 126.22(16) . . ?
C39A Fe4A C42A 65.50(8) . . ?
C43A C39A C40A 110.0(2) . . ?
C43A C39A C38A 159.6(2) . . ?
C40A C39A C38A 90.4(2) . . ?
C43A C39A Fe4A 67.2(2) . . ?
C40A C39A Fe4A 67.8(2) . . ?
C38A C39A Fe4A 124.03(18) . . ?
C41A C40A C39A 106.5(2) . . ?
C41A C40A Fe4A 69.8(4) . . ?
C39A C40A Fe4A 71.7(2) . . ?
C41A C40A H40B 126.7 . . ?
C39A C40A H40B 126.7 . . ?
Fe4A C40A H40B 126.7 . . ?
C40A C41A C42A 109.5(2) . . ?
C40A C41A Fe4A 69.5(3) . . ?
C42A C41A Fe4A 74.6(3) . . ?
C40A C41A H41B 125.2 . . ?
C42A C41A H41B 125.2 . . ?
Fe4A C41A H41B 125.2 . . ?
C41A C42A C43A 105.7(2) . . ?
C41A C42A Fe4A 66.0(3) . . ?
C43A C42A Fe4A 64.0(2) . . ?
C41A C42A H42B 126.8 . . ?
C43A C42A H42B 126.8 . . ?
Fe4A C42A H42B 126.8 . . ?
C39A C43A C42A 106.3(2) . . ?
C39A C43A Fe4A 73.4(2) . . ?
C42A C43A Fe4A 74.4(2) . . ?
C39A C43A H43B 126.4 . . ?
C42A C43A H43B 126.4 . . ?
Fe4A C43A H43B 126.4 . . ?
C48A C44A C45A 107.7(2) . . ?
C48A C44A Fe4A 69.4(2) . . ?
C45A C44A Fe4A 69.6(3) . . ?
C48A C44A H44B 126.1 . . ?
C45A C44A H44B 126.1 . . ?
Fe4A C44A H44B 126.1 . . ?
C46A C45A C44A 108.2(2) . . ?
C46A C45A Fe4A 70.7(3) . . ?
C44A C45A Fe4A 69.1(3) . . ?
C46A C45A H45B 125.9 . . ?
C44A C45A H45B 125.9 . . ?
Fe4A C45A H45B 125.9 . . ?
C45A C46A C47A 107.8(2) . . ?
C45A C46A Fe4A 68.4(3) . . ?
C47A C46A Fe4A 69.9(2) . . ?
C45A C46A H46B 126.1 . . ?
C47A C46A H46B 126.1 . . ?
Fe4A C46A H46B 126.1 . . ?
C48A C47A C46A 107.9(2) . . ?
C48A C47A Fe4A 68.1(2) . . ?
C46A C47A Fe4A 69.4(2) . . ?
C48A C47A H47B 126.0 . . ?
C46A C47A H47B 126.0 . . ?
Fe4A C47A H47B 126.0 . . ?
C47A C48A C44A 108.4(2) . . ?
C47A C48A Fe4A 71.2(2) . . ?
C44A C48A Fe4A 69.3(3) . . ?
C47A C48A H48B 125.8 . . ?
C44A C48A H48B 125.8 . . ?
Fe4A C48A H48B 125.8 . . ?
C50 C49 P2 114.82(13) . . ?
C50 C49 H49A 108.6 . . ?
P2 C49 H49A 108.6 . . ?
C50 C49 H49B 108.6 . . ?
P2 C49 H49B 108.6 . . ?
H49A C49 H49B 107.5 . . ?
C51 C50 C49 109.95(15) . . ?
C51 C50 H50A 109.7 . . ?
C49 C50 H50A 109.7 . . ?
C51 C50 H50B 109.7 . . ?
C49 C50 H50B 109.7 . . ?
H50A C50 H50B 108.2 . . ?
C52 C51 C55 107.06(18) . . ?
C52 C51 C50 125.38(16) . . ?
C55 C51 C50 127.52(19) . . ?
C52 C51 Fe5 69.56(10) . . ?
C55 C51 Fe5 69.28(10) . . ?
C50 C51 Fe5 127.74(13) . . ?
C51 C52 C53 108.79(17) . . ?
C51 C52 Fe5 69.60(10) . . ?
C53 C52 Fe5 69.84(10) . . ?
C51 C52 H52A 125.6 . . ?
C53 C52 H52A 125.6 . . ?
Fe5 C52 H52A 125.6 . . ?
C54 C53 C52 107.4(2) . . ?
C54 C53 Fe5 69.06(12) . . ?
C52 C53 Fe5 69.29(11) . . ?
C54 C53 H53A 126.3 . . ?
C52 C53 H53A 126.3 . . ?
Fe5 C53 H53A 126.3 . . ?
C53 C54 C55 108.34(18) . . ?
C53 C54 Fe5 70.25(11) . . ?
C55 C54 Fe5 69.65(11) . . ?
C53 C54 H54A 125.8 . . ?
C55 C54 H54A 125.8 . . ?
Fe5 C54 H54A 125.8 . . ?
C54 C55 C51 108.42(19) . . ?
C54 C55 Fe5 69.45(11) . . ?
C51 C55 Fe5 69.75(10) . . ?
C54 C55 H55A 125.8 . . ?
C51 C55 H55A 125.8 . . ?
Fe5 C55 H55A 125.8 . . ?
C57 C56 C60 107.72(19) . . ?
C57 C56 Fe5 69.91(12) . . ?
C60 C56 Fe5 69.60(12) . . ?
C57 C56 H56A 126.1 . . ?
C60 C56 H56A 126.1 . . ?
Fe5 C56 H56A 126.1 . . ?
C58 C57 C56 107.97(19) . . ?
C58 C57 Fe5 70.31(12) . . ?
C56 C57 Fe5 69.40(11) . . ?
C58 C57 H57A 126.0 . . ?
C56 C57 H57A 126.0 . . ?
Fe5 C57 H57A 126.0 . . ?
C59 C58 C57 108.4(2) . . ?
C59 C58 Fe5 69.73(13) . . ?
C57 C58 Fe5 69.45(11) . . ?
C59 C58 H58A 125.8 . . ?
C57 C58 H58A 125.8 . . ?
Fe5 C58 H58A 125.8 . . ?
C58 C59 C60 108.4(2) . . ?
C58 C59 Fe5 70.27(12) . . ?
C60 C59 Fe5 69.33(12) . . ?
C58 C59 H59A 125.8 . . ?
C60 C59 H59A 125.8 . . ?
Fe5 C59 H59A 125.8 . . ?
C59 C60 C56 107.6(2) . . ?
C59 C60 Fe5 70.11(12) . . ?
C56 C60 Fe5 69.53(12) . . ?
C59 C60 H60A 126.2 . . ?
C56 C60 H60A 126.2 . . ?
Fe5 C60 H60A 126.2 . . ?
C62 C61 P2 113.80(13) . . ?
C62 C61 H61A 108.8 . . ?
P2 C61 H61A 108.8 . . ?
C62 C61 H61B 108.8 . . ?
P2 C61 H61B 108.8 . . ?
H61A C61 H61B 107.7 . . ?
C63 C62 C61 112.95(15) . . ?
C63 C62 H62A 109.0 . . ?
C61 C62 H62A 109.0 . . ?
C63 C62 H62B 109.0 . . ?
C61 C62 H62B 109.0 . . ?
H62A C62 H62B 107.8 . . ?
C64 C63 C67 107.42(17) . . ?
C64 C63 C62 126.31(16) . . ?
C67 C63 C62 126.27(18) . . ?
C64 C63 Fe6 64.99(12) . . ?
C67 C63 Fe6 70.81(11) . . ?
C62 C63 Fe6 129.84(15) . . ?
C64 C63 Fe6A 74.77(12) . . ?
C67 C63 Fe6A 66.56(11) . . ?
C62 C63 Fe6A 124.34(15) . . ?
C63 C64 C65 108.31(19) . . ?
C63 C64 Fe6 72.27(14) . . ?
C65 C64 Fe6 67.41(15) . . ?
C63 C64 Fe6A 66.95(13) . . ?
C65 C64 Fe6A 70.57(15) . . ?
C63 C64 H64 125.8 . . ?
C65 C64 H64 125.8 . . ?
Fe6 C64 H64 126.0 . . ?
C66 C65 C64 108.21(19) . . ?
C66 C65 Fe6 72.35(16) . . ?
C64 C65 Fe6 68.43(14) . . ?
C66 C65 Fe6A 66.90(15) . . ?
C64 C65 Fe6A 71.82(14) . . ?
C66 C65 H65 125.9 . . ?
C64 C65 H65 125.9 . . ?
Fe6 C65 H65 124.9 . . ?
C65 C66 C67 108.03(17) . . ?
C65 C66 Fe6 64.95(12) . . ?
C67 C66 Fe6 71.25(12) . . ?
C65 C66 Fe6A 74.82(12) . . ?
C67 C66 Fe6A 67.12(12) . . ?
C65 C66 H66 126.0 . . ?
C67 C66 H66 126.0 . . ?
Fe6 C66 H66 129.3 . . ?
C66 C67 C63 108.0(2) . . ?
C66 C67 Fe6A 72.40(12) . . ?
C63 C67 Fe6A 73.12(11) . . ?
C66 C67 Fe6 67.19(12) . . ?
C63 C67 Fe6 67.72(11) . . ?
C66 C67 H67 126.0 . . ?
C63 C67 H67 126.0 . . ?
Fe6 C67 H67 130.7 . . ?
C65 Fe6 C64 44.17(9) . . ?
C65 Fe6 C66 42.69(12) . . ?
C64 Fe6 C66 72.47(10) . . ?
C65 Fe6 C63 72.84(10) . . ?
C64 Fe6 C63 42.74(9) . . ?
C66 Fe6 C63 70.99(9) . . ?
C65 Fe6 C67 71.56(11) . . ?
C64 Fe6 C67 71.32(10) . . ?
C66 Fe6 C67 41.55(10) . . ?
C63 Fe6 C67 41.47(8) . . ?
C65 Fe6 C69 132.23(18) . . ?
C64 Fe6 C69 120.62(16) . . ?
C66 Fe6 C69 157.2(2) . . ?
C63 Fe6 C69 131.7(2) . . ?
C67 Fe6 C69 155.83(19) . . ?
C65 Fe6 C70 115.78(19) . . ?
C64 Fe6 C70 140.58(18) . . ?
C66 Fe6 C70 118.0(2) . . ?
C63 Fe6 C70 170.4(2) . . ?
C67 Fe6 C70 143.2(2) . . ?
C69 Fe6 C70 39.61(16) . . ?
C65 Fe6 C68 166.10(18) . . ?
C64 Fe6 C68 126.31(15) . . ?
C66 Fe6 C68 150.92(19) . . ?
C63 Fe6 C68 106.59(16) . . ?
C67 Fe6 C68 117.63(19) . . ?
C69 Fe6 C68 38.22(13) . . ?
C70 Fe6 C68 64.00(17) . . ?
C65 Fe6 C71 128.0(2) . . ?
C64 Fe6 C71 172.2(2) . . ?
C66 Fe6 C71 101.6(2) . . ?
C63 Fe6 C71 140.92(17) . . ?
C67 Fe6 C71 107.82(19) . . ?
C69 Fe6 C71 63.3(2) . . ?
C70 Fe6 C71 37.61(16) . . ?
C68 Fe6 C71 61.21(18) . . ?
C65 Fe6 C72 157.75(16) . . ?
C64 Fe6 C72 151.65(14) . . ?
C66 Fe6 C72 116.76(15) . . ?
C63 Fe6 C72 112.17(13) . . ?
C67 Fe6 C72 97.49(13) . . ?
C69 Fe6 C72 61.74(13) . . ?
C70 Fe6 C72 61.66(16) . . ?
C68 Fe6 C72 35.79(11) . . ?
C71 Fe6 C72 35.57(13) . . ?
C69 C68 C72 108.2(2) . . ?
C69 C68 Fe6 65.1(3) . . ?
C72 C68 Fe6 77.7(2) . . ?
C69 C68 H68A 125.9 . . ?
C72 C68 H68A 125.9 . . ?
Fe6 C68 H68A 125.9 . . ?
C70 C69 C68 108.3(2) . . ?
C70 C69 Fe6 71.0(4) . . ?
C68 C69 Fe6 76.7(3) . . ?
C70 C69 H69A 125.5 . . ?
C68 C69 H69A 125.5 . . ?
Fe6 C69 H69A 125.5 . . ?
C69 C70 C71 107.9(3) . . ?
C69 C70 Fe6 69.4(3) . . ?
C71 C70 Fe6 78.3(5) . . ?
C69 C70 H70A 125.7 . . ?
C71 C70 H70A 125.7 . . ?
Fe6 C70 H70A 125.7 . . ?
C70 C71 C72 108.0(3) . . ?
C70 C71 Fe6 64.1(4) . . ?
C72 C71 Fe6 75.7(4) . . ?
C70 C71 H71A 126.0 . . ?
C72 C71 H71A 126.0 . . ?
Fe6 C71 H71A 126.0 . . ?
C68 C72 C71 107.6(2) . . ?
C68 C72 Fe6 66.5(2) . . ?
C71 C72 Fe6 68.7(4) . . ?
C68 C72 H72A 126.1 . . ?
C71 C72 H72A 126.1 . . ?
Fe6 C72 H72A 126.1 . . ?
C72A Fe6A C71A 47.7(2) . . ?
C72A Fe6A C68A 44.26(16) . . ?
C71A Fe6A C68A 75.4(2) . . ?
C72A Fe6A C70A 75.8(3) . . ?
C71A Fe6A C70A 44.0(2) . . ?
C68A Fe6A C70A 70.8(2) . . ?
C72A Fe6A C67 118.37(18) . . ?
C71A Fe6A C67 121.3(2) . . ?
C68A Fe6A C67 141.23(16) . . ?
C70A Fe6A C67 146.6(2) . . ?
C72A Fe6A C66 149.5(2) . . ?
C71A Fe6A C66 116.8(3) . . ?
C68A Fe6A C66 165.7(2) . . ?
C70A Fe6A C66 112.0(2) . . ?
C67 Fe6A C66 40.47(10) . . ?
C72A Fe6A C69A 72.53(17) . . ?
C71A Fe6A C69A 72.2(2) . . ?
C68A Fe6A C69A 40.38(13) . . ?
C70A Fe6A C69A 40.57(15) . . ?
C67 Fe6A C69A 166.01(15) . . ?
C66 Fe6A C69A 133.13(16) . . ?
C72A Fe6A C63 113.1(2) . . ?
C71A Fe6A C63 150.2(3) . . ?
C68A Fe6A C63 107.03(14) . . ?
C70A Fe6A C63 165.5(2) . . ?
C67 Fe6A C63 40.32(8) . . ?
C66 Fe6A C63 66.60(8) . . ?
C69A Fe6A C63 129.16(15) . . ?
C72A Fe6A C65 171.6(3) . . ?
C71A Fe6A C65 137.9(3) . . ?
C68A Fe6A C65 127.7(2) . . ?
C70A Fe6A C65 104.8(3) . . ?
C67 Fe6A C65 65.72(10) . . ?
C66 Fe6A C65 38.27(10) . . ?
C69A Fe6A C65 102.32(15) . . ?
C63 Fe6A C65 64.64(8) . . ?
C72A Fe6A C64 135.7(3) . . ?
C71A Fe6A C64 171.5(3) . . ?
C68A Fe6A C64 102.55(18) . . ?
C70A Fe6A C64 127.4(2) . . ?
C67 Fe6A C64 65.43(9) . . ?
C66 Fe6A C64 64.29(9) . . ?
C69A Fe6A C64 100.73(15) . . ?
C63 Fe6A C64 38.28(8) . . ?
C65 Fe6A C64 37.61(7) . . ?
C69A C68A C72A 108.2(3) . . ?
C69A C68A Fe6A 74.6(2) . . ?
C72A C68A Fe6A 59.2(2) . . ?
C69A C68A H68B 125.6 . . ?
C72A C68A H68B 125.6 . . ?
Fe6A C68A H68B 125.6 . . ?
C68A C69A C70A 108.1(3) . . ?
C68A C69A Fe6A 65.0(2) . . ?
C70A C69A Fe6A 65.3(4) . . ?
C68A C69A H69B 125.2 . . ?
C70A C69A H69B 125.2 . . ?
Fe6A C69A H69B 125.2 . . ?
C69A C70A C71A 107.8(3) . . ?
C69A C70A Fe6A 74.2(3) . . ?
C71A C70A Fe6A 59.9(4) . . ?
C69A C70A H70B 125.9 . . ?
C71A C70A H70B 125.9 . . ?
Fe6A C70A H70B 125.9 . . ?
C70A C71A C72A 107.9(3) . . ?
C70A C71A Fe6A 76.1(4) . . ?
C72A C71A Fe6A 65.3(4) . . ?
C70A C71A H71B 126.0 . . ?
C72A C71A H71B 126.0 . . ?
Fe6A C71A H71B 126.0 . . ?
C68A C72A C71A 107.9(3) . . ?
C68A C72A Fe6A 76.6(3) . . ?
C71A C72A Fe6A 67.0(4) . . ?
C68A C72A H72B 126.0 . . ?
C71A C72A H72B 126.0 . . ?
Fe6A C72A H72B 126.0 . . ?
C74 C73 P3 110.32(10) . . ?
C74 C73 H73A 109.6 . . ?
P3 C73 H73A 109.6 . . ?
C74 C73 H73B 109.6 . . ?
P3 C73 H73B 109.6 . . ?
H73A C73 H73B 108.1 . . ?
C75 C74 C73 113.75(13) . . ?
C75 C74 H74A 108.8 . . ?
C73 C74 H74A 108.8 . . ?
C75 C74 H74B 108.8 . . ?
C73 C74 H74B 108.8 . . ?
H74A C74 H74B 107.7 . . ?
C79 C75 C76 107.49(14) . . ?
C79 C75 C74 126.95(14) . . ?
C76 C75 C74 125.54(14) . . ?
C79 C75 Fe7 69.70(9) . . ?
C76 C75 Fe7 69.08(9) . . ?
C74 C75 Fe7 127.92(11) . . ?
C75 C76 C77 108.17(14) . . ?
C75 C76 Fe7 69.95(9) . . ?
C77 C76 Fe7 69.75(9) . . ?
C75 C76 H76A 125.9 . . ?
C77 C76 H76A 125.9 . . ?
Fe7 C76 H76A 125.9 . . ?
C78 C77 C76 107.84(15) . . ?
C78 C77 Fe7 69.99(9) . . ?
C76 C77 Fe7 69.21(9) . . ?
C78 C77 H77A 126.1 . . ?
C76 C77 H77A 126.1 . . ?
Fe7 C77 H77A 126.1 . . ?
C79 C78 C77 108.06(14) . . ?
C79 C78 Fe7 69.64(8) . . ?
C77 C78 Fe7 69.28(9) . . ?
C79 C78 H78A 126.0 . . ?
C77 C78 H78A 126.0 . . ?
Fe7 C78 H78A 126.0 . . ?
C78 C79 C75 108.44(14) . . ?
C78 C79 Fe7 69.81(9) . . ?
C75 C79 Fe7 69.49(8) . . ?
C78 C79 H79A 125.8 . . ?
C75 C79 H79A 125.8 . . ?
Fe7 C79 H79A 125.8 . . ?
C81 C80 C84 107.89(17) . . ?
C81 C80 Fe7 69.69(10) . . ?
C84 C80 Fe7 69.67(10) . . ?
C81 C80 H80A 126.1 . . ?
C84 C80 H80A 126.1 . . ?
Fe7 C80 H80A 126.1 . . ?
C80 C81 C82 108.14(16) . . ?
C80 C81 Fe7 69.77(10) . . ?
C82 C81 Fe7 69.59(9) . . ?
C80 C81 H81A 125.9 . . ?
C82 C81 H81A 125.9 . . ?
Fe7 C81 H81A 125.9 . . ?
C81 C82 C83 108.18(17) . . ?
C81 C82 Fe7 69.77(10) . . ?
C83 C82 Fe7 69.83(9) . . ?
C81 C82 H82A 125.9 . . ?
C83 C82 H82A 125.9 . . ?
Fe7 C82 H82A 125.9 . . ?
C82 C83 C84 107.59(16) . . ?
C82 C83 Fe7 69.48(9) . . ?
C84 C83 Fe7 69.60(10) . . ?
C82 C83 H83A 126.2 . . ?
C84 C83 H83A 126.2 . . ?
Fe7 C83 H83A 126.2 . . ?
C80 C84 C83 108.20(17) . . ?
C80 C84 Fe7 69.68(10) . . ?
C83 C84 Fe7 69.70(10) . . ?
C80 C84 H84A 125.9 . . ?
C83 C84 H84A 125.9 . . ?
Fe7 C84 H84A 125.9 . . ?
C86 C85 P3 110.39(11) . . ?
C86 C85 H85A 109.6 . . ?
P3 C85 H85A 109.6 . . ?
C86 C85 H85B 109.6 . . ?
P3 C85 H85B 109.6 . . ?
H85A C85 H85B 108.1 . . ?
C87 C86 C85 114.21(14) . . ?
C87 C86 H86A 108.7 . . ?
C85 C86 H86A 108.7 . . ?
C87 C86 H86B 108.7 . . ?
C85 C86 H86B 108.7 . . ?
H86A C86 H86B 107.6 . . ?
C91 C87 C88 107.67(17) . . ?
C91 C87 C86 128.87(15) . . ?
C88 C87 C86 123.41(17) . . ?
C91 C87 Fe8 69.77(10) . . ?
C88 C87 Fe8 69.14(10) . . ?
C86 C87 Fe8 128.40(12) . . ?
C89 C88 C87 108.2(2) . . ?
C89 C88 Fe8 69.53(13) . . ?
C87 C88 Fe8 69.90(10) . . ?
C89 C88 H88A 125.9 . . ?
C87 C88 H88A 125.9 . . ?
Fe8 C88 H88A 125.9 . . ?
C90 C89 C88 108.18(18) . . ?
C90 C89 Fe8 69.74(13) . . ?
C88 C89 Fe8 69.65(12) . . ?
C90 C89 H89A 125.9 . . ?
C88 C89 H89A 125.9 . . ?
Fe8 C89 H89A 125.9 . . ?
C89 C90 C91 108.3(2) . . ?
C89 C90 Fe8 69.64(15) . . ?
C91 C90 Fe8 70.04(12) . . ?
C89 C90 H90A 125.9 . . ?
C91 C90 H90A 125.9 . . ?
Fe8 C90 H90A 125.9 . . ?
C87 C91 C90 107.73(19) . . ?
C87 C91 Fe8 69.51(10) . . ?
C90 C91 Fe8 69.00(13) . . ?
C87 C91 H91A 126.1 . . ?
C90 C91 H91A 126.1 . . ?
Fe8 C91 H91A 126.1 . . ?
C96 C92 C93 108.0(2) . . ?
C96 C92 Fe8 69.54(12) . . ?
C93 C92 Fe8 69.90(14) . . ?
C96 C92 H92A 126.0 . . ?
C93 C92 H92A 126.0 . . ?
Fe8 C92 H92A 126.0 . . ?
C92 C93 C94 108.34(19) . . ?
C92 C93 Fe8 69.56(12) . . ?
C94 C93 Fe8 69.47(12) . . ?
C92 C93 H93A 125.8 . . ?
C94 C93 H93A 125.8 . . ?
Fe8 C93 H93A 125.8 . . ?
C95 C94 C93 107.0(2) . . ?
C95 C94 Fe8 69.25(12) . . ?
C93 C94 Fe8 69.67(12) . . ?
C95 C94 H94A 126.5 . . ?
C93 C94 H94A 126.5 . . ?
Fe8 C94 H94A 126.5 . . ?
C94 C95 C96 108.24(19) . . ?
C94 C95 Fe8 70.03(12) . . ?
C96 C95 Fe8 69.56(12) . . ?
C94 C95 H95A 125.9 . . ?
C96 C95 H95A 125.9 . . ?
Fe8 C95 H95A 125.9 . . ?
C92 C96 C95 108.4(2) . . ?
C92 C96 Fe8 70.20(13) . . ?
C95 C96 Fe8 69.58(12) . . ?
C92 C96 H96A 125.8 . . ?
C95 C96 H96A 125.8 . . ?
Fe8 C96 H96A 125.8 . . ?
C98 C97 P3 117.36(11) . . ?
C98 C97 H97A 108.0 . . ?
P3 C97 H97A 108.0 . . ?
C98 C97 H97B 108.0 . . ?
P3 C97 H97B 108.0 . . ?
H97A C97 H97B 107.2 . . ?
C99 C98 C97 112.15(13) . . ?
C99 C98 H98A 109.2 . . ?
C97 C98 H98A 109.2 . . ?
C99 C98 H98B 109.2 . . ?
C97 C98 H98B 109.2 . . ?
H98A C98 H98B 107.9 . . ?
C100 C99 C103 107.23(15) . . ?
C100 C99 C98 126.66(15) . . ?
C103 C99 C98 126.03(14) . . ?
C100 C99 Fe9 64.59(11) . . ?
C103 C99 Fe9 74.88(11) . . ?
C98 C99 Fe9 127.98(11) . . ?
C100 C99 Fe9A 74.21(12) . . ?
C103 C99 Fe9A 64.44(10) . . ?
C98 C99 Fe9A 128.71(11) . . ?
C99 C100 C101 108.41(17) . . ?
C99 C100 Fe9 73.33(11) . . ?
C101 C100 Fe9 70.81(13) . . ?
C99 C100 Fe9A 66.95(11) . . ?
C101 C100 Fe9A 68.15(13) . . ?
C99 C100 H100 125.8 . . ?
C101 C100 H100 125.8 . . ?
Fe9 C100 H100 121.8 . . ?
C102 C101 C100 107.87(16) . . ?
C102 C101 Fe9 75.64(12) . . ?
C100 C101 Fe9 66.17(11) . . ?
C102 C101 Fe9A 64.55(11) . . ?
C100 C101 Fe9A 73.04(11) . . ?
C102 C101 H101 126.1 . . ?
C100 C101 H101 126.1 . . ?
Fe9 C101 H101 123.6 . . ?
C101 C102 C103 108.05(17) . . ?
C101 C102 Fe9A 75.35(12) . . ?
C103 C102 Fe9A 67.87(11) . . ?
C101 C102 Fe9 64.40(11) . . ?
C103 C102 Fe9 71.68(11) . . ?
C101 C102 H102 126.0 . . ?
C103 C102 H102 126.0 . . ?
Fe9 C102 H102 129.4 . . ?
C99 C103 C102 108.44(16) . . ?
C99 C103 Fe9A 74.48(11) . . ?
C102 C103 Fe9A 69.57(12) . . ?
C99 C103 Fe9 65.54(10) . . ?
C102 C103 Fe9 69.41(12) . . ?
C99 C103 H103 125.8 . . ?
C102 C103 H103 125.8 . . ?
Fe9 C103 H103 130.9 . . ?
C106 Fe9 C100 130.39(14) . . ?
C106 Fe9 C101 132.81(14) . . ?
C100 Fe9 C101 43.02(9) . . ?
C106 Fe9 C99 143.81(15) . . ?
C100 Fe9 C99 42.08(7) . . ?
C101 Fe9 C99 70.40(8) . . ?
C106 Fe9 C105 42.08(12) . . ?
C100 Fe9 C105 133.94(14) . . ?
C101 Fe9 C105 173.06(14) . . ?
C99 Fe9 C105 111.44(12) . . ?
C106 Fe9 C107 41.56(13) . . ?
C100 Fe9 C107 145.77(14) . . ?
C101 Fe9 C107 111.96(15) . . ?
C99 Fe9 C107 170.04(14) . . ?
C105 Fe9 C107 67.45(14) . . ?
C106 Fe9 C102 148.70(15) . . ?
C100 Fe9 C102 68.96(9) . . ?
C101 Fe9 C102 39.97(9) . . ?
C99 Fe9 C102 67.49(8) . . ?
C105 Fe9 C102 146.95(14) . . ?
C107 Fe9 C102 107.68(15) . . ?
C106 Fe9 C103 158.46(13) . . ?
C100 Fe9 C103 68.15(8) . . ?
C101 Fe9 C103 67.27(8) . . ?
C99 Fe9 C103 39.58(7) . . ?
C105 Fe9 C103 118.63(12) . . ?
C107 Fe9 C103 131.43(15) . . ?
C102 Fe9 C103 38.91(7) . . ?
C106 Fe9 C104 65.69(13) . . ?
C100 Fe9 C104 151.33(12) . . ?
C101 Fe9 C104 149.01(13) . . ?
C99 Fe9 C104 109.86(11) . . ?
C105 Fe9 C104 37.47(11) . . ?
C107 Fe9 C104 62.85(13) . . ?
C102 Fe9 C104 110.05(12) . . ?
C103 Fe9 C104 92.88(11) . . ?
C106 Fe9 C108 65.12(13) . . ?
C100 Fe9 C108 161.97(13) . . ?
C101 Fe9 C108 121.15(13) . . ?
C99 Fe9 C108 133.26(12) . . ?
C105 Fe9 C108 62.89(12) . . ?
C107 Fe9 C108 36.94(11) . . ?
C102 Fe9 C108 93.07(13) . . ?
C103 Fe9 C108 99.08(12) . . ?
C104 Fe9 C108 35.71(10) . . ?
C105 C104 C108 107.8(2) . . ?
C105 C104 Fe9 61.22(18) . . ?
C108 C104 Fe9 73.1(2) . . ?
C105 C104 H10C 125.9 . . ?
C108 C104 H10C 125.9 . . ?
Fe9 C104 H10C 125.9 . . ?
C106 C105 C104 108.2(2) . . ?
C106 C105 Fe9 62.7(2) . . ?
C104 C105 Fe9 81.3(2) . . ?
C106 C105 H10D 125.7 . . ?
C104 C105 H10D 125.7 . . ?
Fe9 C105 H10D 125.7 . . ?
C105 C106 C107 107.8(2) . . ?
C105 C106 Fe9 75.2(2) . . ?
C107 C106 Fe9 76.8(3) . . ?
C105 C106 H10E 125.3 . . ?
C107 C106 H10E 125.3 . . ?
Fe9 C106 H10E 125.3 . . ?
C106 C107 C108 108.3(2) . . ?
C106 C107 Fe9 61.6(2) . . ?
C108 C107 Fe9 81.2(3) . . ?
C106 C107 H10F 125.8 . . ?
C108 C107 H10F 125.8 . . ?
Fe9 C107 H10F 125.8 . . ?
C107 C108 C104 107.8(2) . . ?
C107 C108 Fe9 61.9(3) . . ?
C104 C108 Fe9 71.2(2) . . ?
C107 C108 H10G 125.8 . . ?
C104 C108 H10G 125.8 . . ?
Fe9 C108 H10G 125.8 . . ?
C149 Fe9A C145 44.60(14) . . ?
C149 Fe9A C103 138.55(18) . . ?
C145 Fe9A C103 123.95(15) . . ?
C149 Fe9A C102 120.74(16) . . ?
C145 Fe9A C102 148.88(16) . . ?
C103 Fe9A C102 42.56(8) . . ?
C149 Fe9A C99 165.72(18) . . ?
C145 Fe9A C99 121.41(15) . . ?
C103 Fe9A C99 41.08(7) . . ?
C102 Fe9A C99 69.29(8) . . ?
C149 Fe9A C101 127.52(19) . . ?
C145 Fe9A C101 167.54(15) . . ?
C103 Fe9A C101 68.50(8) . . ?
C102 Fe9A C101 40.10(9) . . ?
C99 Fe9A C101 66.76(8) . . ?
C149 Fe9A C148 40.57(14) . . ?
C145 Fe9A C148 68.99(15) . . ?
C103 Fe9A C148 162.62(15) . . ?
C102 Fe9A C148 120.18(15) . . ?
C99 Fe9A C148 146.21(17) . . ?
C101 Fe9A C148 98.98(15) . . ?
C149 Fe9A C146 68.82(15) . . ?
C145 Fe9A C146 40.00(13) . . ?
C103 Fe9A C146 133.17(12) . . ?
C102 Fe9A C146 169.90(13) . . ?
C99 Fe9A C146 101.98(11) . . ?
C101 Fe9A C146 132.54(13) . . ?
C148 Fe9A C146 64.15(13) . . ?
C149 Fe9A C100 151.8(2) . . ?
C145 Fe9A C100 141.28(16) . . ?
C103 Fe9A C100 67.00(8) . . ?
C102 Fe9A C100 66.79(9) . . ?
C99 Fe9A C100 38.84(7) . . ?
C101 Fe9A C100 38.81(8) . . ?
C148 Fe9A C100 111.27(17) . . ?
C146 Fe9A C100 103.28(12) . . ?
C149 Fe9A C147 65.66(15) . . ?
C145 Fe9A C147 65.27(14) . . ?
C103 Fe9A C147 154.95(14) . . ?
C102 Fe9A C147 141.24(12) . . ?
C99 Fe9A C147 113.91(13) . . ?
C101 Fe9A C147 103.30(12) . . ?
C148 Fe9A C147 36.90(12) . . ?
C146 Fe9A C147 36.67(11) . . ?
C100 Fe9A C147 91.55(12) . . ?
C146 C145 C149 108.0(3) . . ?
C146 C145 Fe9A 80.9(2) . . ?
C149 C145 Fe9A 67.0(3) . . ?
C146 C145 H14C 125.6 . . ?
C149 C145 H14C 125.6 . . ?
Fe9A C145 H14C 125.6 . . ?
C145 C146 C147 108.4(2) . . ?
C145 C146 Fe9A 59.1(2) . . ?
C147 C146 Fe9A 77.5(2) . . ?
C145 C146 H14D 125.7 . . ?
C147 C146 H14D 125.7 . . ?
Fe9A C146 H14D 125.7 . . ?
C146 C147 C148 107.5(2) . . ?
C146 C147 Fe9A 65.85(19) . . ?
C148 C147 Fe9A 64.9(2) . . ?
C146 C147 H14E 125.7 . . ?
C148 C147 H14E 125.7 . . ?
Fe9A C147 H14E 125.7 . . ?
C149 C148 C147 108.3(2) . . ?
C149 C148 Fe9A 59.0(3) . . ?
C147 C148 Fe9A 78.2(2) . . ?
C149 C148 H14F 125.8 . . ?
C147 C148 H14F 125.8 . . ?
Fe9A C148 H14F 125.8 . . ?
C148 C149 C145 107.7(2) . . ?
C148 C149 Fe9A 80.4(3) . . ?
C145 C149 Fe9A 68.4(3) . . ?
C148 C149 H14G 125.6 . . ?
C145 C149 H14G 125.6 . . ?
Fe9A C149 H14G 125.6 . . ?
C110 C109 P4 114.49(11) . . ?
C110 C109 H10H 108.6 . . ?
P4 C109 H10H 108.6 . . ?
C110 C109 H10I 108.6 . . ?
P4 C109 H10I 108.6 . . ?
H10H C109 H10I 107.6 . . ?
C111 C110 C109 114.71(15) . . ?
C111 C110 H11C 108.6 . . ?
C109 C110 H11C 108.6 . . ?
C111 C110 H11D 108.6 . . ?
C109 C110 H11D 108.6 . . ?
H11C C110 H11D 107.6 . . ?
C115 C111 C112 106.76(15) . . ?
C115 C111 C110 126.02(16) . . ?
C112 C111 C110 127.20(16) . . ?
C115 C111 Fe10 69.59(9) . . ?
C112 C111 Fe10 69.01(9) . . ?
C110 C111 Fe10 125.32(12) . . ?
C113 C112 C111 108.57(16) . . ?
C113 C112 Fe10 70.24(10) . . ?
C111 C112 Fe10 69.71(9) . . ?
C113 C112 H11E 125.7 . . ?
C111 C112 H11E 125.7 . . ?
Fe10 C112 H11E 125.7 . . ?
C114 C113 C112 108.10(16) . . ?
C114 C113 Fe10 69.94(11) . . ?
C112 C113 Fe10 68.82(11) . . ?
C114 C113 H11F 125.9 . . ?
C112 C113 H11F 125.9 . . ?
Fe10 C113 H11F 125.9 . . ?
C113 C114 C115 107.75(16) . . ?
C113 C114 Fe10 69.46(11) . . ?
C115 C114 Fe10 69.19(10) . . ?
C113 C114 H11G 126.1 . . ?
C115 C114 H11G 126.1 . . ?
Fe10 C114 H11G 126.1 . . ?
C114 C115 C111 108.81(16) . . ?
C114 C115 Fe10 70.08(9) . . ?
C111 C115 Fe10 69.29(9) . . ?
C114 C115 H11H 125.6 . . ?
C111 C115 H11H 125.6 . . ?
Fe10 C115 H11H 125.6 . . ?
C120 C116 C117 107.6(2) . . ?
C120 C116 Fe10 70.03(11) . . ?
C117 C116 Fe10 69.76(12) . . ?
C120 C116 H11I 126.2 . . ?
C117 C116 H11I 126.2 . . ?
Fe10 C116 H11I 126.2 . . ?
C118 C117 C116 108.3(2) . . ?
C118 C117 Fe10 70.41(10) . . ?
C116 C117 Fe10 69.18(11) . . ?
C118 C117 H11J 125.9 . . ?
C116 C117 H11J 125.9 . . ?
Fe10 C117 H11J 125.9 . . ?
C117 C118 C119 107.94(19) . . ?
C117 C118 Fe10 69.01(10) . . ?
C119 C118 Fe10 69.89(10) . . ?
C117 C118 H11K 126.0 . . ?
C119 C118 H11K 126.0 . . ?
Fe10 C118 H11K 126.0 . . ?
C118 C119 C120 108.07(19) . . ?
C118 C119 Fe10 69.69(10) . . ?
C120 C119 Fe10 69.11(12) . . ?
C118 C119 H11L 126.0 . . ?
C120 C119 H11L 126.0 . . ?
Fe10 C119 H11L 126.0 . . ?
C119 C120 C116 108.1(2) . . ?
C119 C120 Fe10 70.29(11) . . ?
C116 C120 Fe10 69.03(13) . . ?
C119 C120 H12C 125.9 . . ?
C116 C120 H12C 125.9 . . ?
Fe10 C120 H12C 125.9 . . ?
C122 C121 P4 110.07(10) . . ?
C122 C121 H12D 109.6 . . ?
P4 C121 H12D 109.6 . . ?
C122 C121 H12E 109.6 . . ?
P4 C121 H12E 109.6 . . ?
H12D C121 H12E 108.2 . . ?
C123 C122 C121 114.96(13) . . ?
C123 C122 H12F 108.5 . . ?
C121 C122 H12F 108.5 . . ?
C123 C122 H12G 108.5 . . ?
C121 C122 H12G 108.5 . . ?
H12F C122 H12G 107.5 . . ?
C124 C123 C127 107.14(14) . . ?
C124 C123 C122 127.86(15) . . ?
C127 C123 C122 124.83(15) . . ?
C124 C123 Fe11 69.34(9) . . ?
C127 C123 Fe11 69.03(9) . . ?
C122 C123 Fe11 130.27(12) . . ?
C123 C124 C125 108.51(17) . . ?
C123 C124 Fe11 69.98(10) . . ?
C125 C124 Fe11 68.98(11) . . ?
C123 C124 H12H 125.7 . . ?
C125 C124 H12H 125.7 . . ?
Fe11 C124 H12H 125.7 . . ?
C126 C125 C124 108.01(16) . . ?
C126 C125 Fe11 69.73(11) . . ?
C124 C125 Fe11 70.08(10) . . ?
C126 C125 H12I 126.0 . . ?
C124 C125 H12I 126.0 . . ?
Fe11 C125 H12I 126.0 . . ?
C125 C126 C127 107.73(16) . . ?
C125 C126 Fe11 69.35(11) . . ?
C127 C126 Fe11 69.69(10) . . ?
C125 C126 H12J 126.1 . . ?
C127 C126 H12J 126.1 . . ?
Fe11 C126 H12J 126.1 . . ?
C126 C127 C123 108.61(17) . . ?
C126 C127 Fe11 69.39(10) . . ?
C123 C127 Fe11 70.10(9) . . ?
C126 C127 H12K 125.7 . . ?
C123 C127 H12K 125.7 . . ?
Fe11 C127 H12K 125.7 . . ?
C132 C128 C129 107.89(18) . . ?
C132 C128 Fe11 70.25(11) . . ?
C129 C128 Fe11 69.36(12) . . ?
C132 C128 H12L 126.1 . . ?
C129 C128 H12L 126.1 . . ?
Fe11 C128 H12L 126.1 . . ?
C128 C129 C130 107.3(2) . . ?
C128 C129 Fe11 69.76(11) . . ?
C130 C129 Fe11 69.46(12) . . ?
C128 C129 H12M 126.3 . . ?
C130 C129 H12M 126.3 . . ?
Fe11 C129 H12M 126.3 . . ?
C131 C130 C129 107.63(19) . . ?
C131 C130 Fe11 70.32(11) . . ?
C129 C130 Fe11 69.34(11) . . ?
C131 C130 H13C 126.2 . . ?
C129 C130 H13C 126.2 . . ?
Fe11 C130 H13C 126.2 . . ?
C130 C131 C132 108.52(19) . . ?
C130 C131 Fe11 69.48(12) . . ?
C132 C131 Fe11 69.95(10) . . ?
C130 C131 H13D 125.7 . . ?
C132 C131 H13D 125.7 . . ?
Fe11 C131 H13D 125.7 . . ?
C128 C132 C131 108.65(19) . . ?
C128 C132 Fe11 69.64(12) . . ?
C131 C132 Fe11 69.90(12) . . ?
C128 C132 H13E 125.7 . . ?
C131 C132 H13E 125.7 . . ?
Fe11 C132 H13E 125.7 . . ?
C134 C133 P4 109.80(12) . . ?
C134 C133 H13F 109.7 . . ?
P4 C133 H13F 109.7 . . ?
C134 C133 H13G 109.7 . . ?
P4 C133 H13G 109.7 . . ?
H13F C133 H13G 108.2 . . ?
C150 C134 C133 114.18(16) . . ?
C135 C134 C133 114.18(16) . . ?
C135 C134 H13L 108.7 . . ?
C133 C134 H13L 108.7 . . ?
C135 C134 H13M 108.7 . . ?
C133 C134 H13M 108.7 . . ?
H13L C134 H13M 107.6 . . ?
C150 C134 H13N 108.7 . . ?
C133 C134 H13N 108.7 . . ?
C150 C134 H13O 108.7 . . ?
C133 C134 H13O 108.7 . . ?
H13N C134 H13O 107.6 . . ?
C144 Fe12 C143 44.90(15) . . ?
C144 Fe12 C140 44.68(17) . . ?
C143 Fe12 C140 74.5(2) . . ?
C144 Fe12 C142 73.9(2) . . ?
C143 Fe12 C142 42.67(15) . . ?
C140 Fe12 C142 72.4(2) . . ?
C144 Fe12 C141 73.7(2) . . ?
C143 Fe12 C141 72.3(2) . . ?
C140 Fe12 C141 42.62(16) . . ?
C142 Fe12 C141 41.84(15) . . ?
C144 Fe12 C139 113.0(3) . . ?
C143 Fe12 C139 128.3(3) . . ?
C140 Fe12 C139 126.8(3) . . ?
C142 Fe12 C139 159.3(3) . . ?
C141 Fe12 C139 157.4(3) . . ?
C144 Fe12 C135 125.4(3) . . ?
C143 Fe12 C135 165.3(3) . . ?
C140 Fe12 C135 106.1(3) . . ?
C142 Fe12 C135 152.0(2) . . ?
C141 Fe12 C135 118.4(3) . . ?
C139 Fe12 C135 39.57(14) . . ?
C144 Fe12 C138 130.0(3) . . ?
C143 Fe12 C138 110.9(3) . . ?
C140 Fe12 C138 165.9(3) . . ?
C142 Fe12 C138 120.7(3) . . ?
C141 Fe12 C138 150.8(3) . . ?
C139 Fe12 C138 39.50(14) . . ?
C135 Fe12 C138 65.33(16) . . ?
C144 Fe12 C137 164.4(3) . . ?
C143 Fe12 C137 123.3(3) . . ?
C140 Fe12 C137 150.1(3) . . ?
C142 Fe12 C137 103.7(2) . . ?
C141 Fe12 C137 115.1(2) . . ?
C139 Fe12 C137 64.17(17) . . ?
C135 Fe12 C137 63.25(14) . . ?
C138 Fe12 C137 37.75(13) . . ?
C144 Fe12 C136 157.9(3) . . ?
C143 Fe12 C136 155.1(3) . . ?
C140 Fe12 C136 117.6(3) . . ?
C142 Fe12 C136 117.1(2) . . ?
C141 Fe12 C136 101.2(2) . . ?
C139 Fe12 C136 64.07(19) . . ?
C135 Fe12 C136 37.65(12) . . ?
C138 Fe12 C136 63.15(18) . . ?
C137 Fe12 C136 36.76(13) . . ?
C139 C135 C136 109.1(2) . . ?
C139 C135 C134 132.3(2) . . ?
C136 C135 C134 118.5(2) . . ?
C139 C135 Fe12 69.1(3) . . ?
C136 C135 Fe12 77.4(3) . . ?
C134 C135 Fe12 123.43(18) . . ?
C135 C136 C137 107.0(2) . . ?
C135 C136 Fe12 65.0(2) . . ?
C137 C136 Fe12 70.9(3) . . ?
C135 C136 H13H 126.4 . . ?
C137 C136 H13H 126.4 . . ?
Fe12 C136 H13H 126.4 . . ?
C138 C137 C136 108.3(2) . . ?
C138 C137 Fe12 66.6(2) . . ?
C136 C137 Fe12 72.4(3) . . ?
C138 C137 H13I 125.9 . . ?
C136 C137 H13I 125.9 . . ?
Fe12 C137 H13I 125.9 . . ?
C137 C138 C139 108.2(2) . . ?
C137 C138 Fe12 75.7(2) . . ?
C139 C138 Fe12 68.3(3) . . ?
C137 C138 H13J 125.8 . . ?
C139 C138 H13J 125.8 . . ?
Fe12 C138 H13J 125.8 . . ?
C135 C139 C138 107.3(2) . . ?
C135 C139 Fe12 71.3(2) . . ?
C138 C139 Fe12 72.2(3) . . ?
C135 C139 H13K 126.2 . . ?
C138 C139 H13K 126.2 . . ?
Fe12 C139 H13K 126.2 . . ?
C144 C140 C141 108.1(2) . . ?
C144 C140 Fe12 64.7(2) . . ?
C141 C140 Fe12 72.4(3) . . ?
C144 C140 H14H 125.9 . . ?
C141 C140 H14H 125.9 . . ?
Fe12 C140 H14H 125.9 . . ?
C140 C141 C142 107.9(2) . . ?
C140 C141 Fe12 64.9(3) . . ?
C142 C141 Fe12 69.0(2) . . ?
C140 C141 H14I 125.8 . . ?
C142 C141 H14I 125.8 . . ?
Fe12 C141 H14I 125.8 . . ?
C143 C142 C141 107.5(2) . . ?
C143 C142 Fe12 64.3(2) . . ?
C141 C142 Fe12 69.2(2) . . ?
C143 C142 H14J 126.1 . . ?
C141 C142 H14J 126.1 . . ?
Fe12 C142 H14J 126.1 . . ?
C144 C143 C142 108.7(2) . . ?
C144 C143 Fe12 65.3(2) . . ?
C142 C143 Fe12 73.0(2) . . ?
C144 C143 H14K 125.6 . . ?
C142 C143 H14K 125.6 . . ?
Fe12 C143 H14K 125.6 . . ?
C143 C144 C140 107.8(2) . . ?
C143 C144 Fe12 69.8(2) . . ?
C140 C144 Fe12 70.6(3) . . ?
C143 C144 H14L 126.1 . . ?
C140 C144 H14L 126.1 . . ?
Fe12 C144 H14L 126.1 . . ?
C151 Fe13 C152 45.05(17) . . ?
C151 Fe13 C150 43.97(15) . . ?
C152 Fe13 C150 74.02(18) . . ?
C151 Fe13 C153 73.4(2) . . ?
C152 Fe13 C153 42.83(16) . . ?
C150 Fe13 C153 71.17(18) . . ?
C151 Fe13 C154 72.4(2) . . ?
C152 Fe13 C154 71.8(2) . . ?
C150 Fe13 C154 41.58(15) . . ?
C153 Fe13 C154 41.18(15) . . ?
C151 Fe13 C156 116.7(3) . . ?
C152 Fe13 C156 127.0(3) . . ?
C150 Fe13 C156 132.7(3) . . ?
C153 Fe13 C156 154.9(3) . . ?
C154 Fe13 C156 160.7(3) . . ?
C151 Fe13 C155 124.3(3) . . ?
C152 Fe13 C155 162.5(3) . . ?
C150 Fe13 C155 107.7(2) . . ?
C153 Fe13 C155 154.7(3) . . ?
C154 Fe13 C155 121.5(3) . . ?
C156 Fe13 C155 39.27(14) . . ?
C151 Fe13 C157 136.8(3) . . ?
C152 Fe13 C157 112.3(3) . . ?
C150 Fe13 C157 171.6(3) . . ?
C153 Fe13 C157 117.1(3) . . ?
C154 Fe13 C157 144.4(3) . . ?
C156 Fe13 C157 39.21(14) . . ?
C155 Fe13 C157 64.60(18) . . ?
C151 Fe13 C159 152.6(3) . . ?
C152 Fe13 C159 158.5(3) . . ?
C150 Fe13 C159 113.2(2) . . ?
C153 Fe13 C159 118.4(2) . . ?
C154 Fe13 C159 99.7(2) . . ?
C156 Fe13 C159 64.09(17) . . ?
C155 Fe13 C159 37.51(13) . . ?
C157 Fe13 C159 63.02(16) . . ?
C151 Fe13 C158 170.5(3) . . ?
C152 Fe13 C158 126.2(3) . . ?
C150 Fe13 C158 143.3(2) . . ?
C153 Fe13 C158 102.1(2) . . ?
C154 Fe13 C158 110.0(2) . . ?
C156 Fe13 C158 64.03(17) . . ?
C155 Fe13 C158 62.94(17) . . ?
C157 Fe13 C158 37.53(12) . . ?
C159 Fe13 C158 36.97(12) . . ?
C154 C150 C151 106.2(2) . . ?
C154 C150 C134 118.5(2) . . ?
C151 C150 C134 134.9(2) . . ?
C154 C150 Fe13 71.2(3) . . ?
C151 C150 Fe13 62.2(3) . . ?
C134 C150 Fe13 126.04(18) . . ?
C152 C151 C150 109.0(2) . . ?
C152 C151 Fe13 69.0(3) . . ?
C150 C151 Fe13 73.8(3) . . ?
C152 C151 H15A 125.5 . . ?
C150 C151 H15A 125.5 . . ?
Fe13 C151 H15A 125.5 . . ?
C153 C152 C151 107.7(2) . . ?
C153 C152 Fe13 73.3(3) . . ?
C151 C152 Fe13 65.9(3) . . ?
C153 C152 H15B 126.1 . . ?
C151 C152 H15B 126.1 . . ?
Fe13 C152 H15B 126.1 . . ?
C152 C153 C154 108.1(2) . . ?
C152 C153 Fe13 63.9(2) . . ?
C154 C153 Fe13 71.0(3) . . ?
C152 C153 H15C 125.8 . . ?
C154 C153 H15C 125.8 . . ?
Fe13 C153 H15C 125.8 . . ?
C153 C154 C150 108.9(2) . . ?
C153 C154 Fe13 67.8(3) . . ?
C150 C154 Fe13 67.2(2) . . ?
C153 C154 H15D 125.4 . . ?
C150 C154 H15D 125.4 . . ?
Fe13 C154 H15D 125.4 . . ?
C159 C155 C156 108.2(2) . . ?
C159 C155 Fe13 74.9(3) . . ?
C156 C155 Fe13 67.9(3) . . ?
C159 C155 H15E 125.8 . . ?
C156 C155 H15E 125.8 . . ?
Fe13 C155 H15E 125.8 . . ?
C157 C156 C155 107.7(2) . . ?
C157 C156 Fe13 72.9(3) . . ?
C155 C156 Fe13 72.8(3) . . ?
C157 C156 H15F 125.9 . . ?
C155 C156 H15F 125.9 . . ?
Fe13 C156 H15F 125.9 . . ?
C158 C157 C156 108.1(2) . . ?
C158 C157 Fe13 74.9(3) . . ?
C156 C157 Fe13 67.8(3) . . ?
C158 C157 H15G 125.9 . . ?
C156 C157 H15G 125.9 . . ?
Fe13 C157 H15G 125.9 . . ?
C157 C158 C159 108.0(2) . . ?
C157 C158 Fe13 67.6(3) . . ?
C159 C158 Fe13 71.4(3) . . ?
C157 C158 H15H 126.0 . . ?
C159 C158 H15H 126.0 . . ?
Fe13 C158 H15H 126.0 . . ?
C155 C159 C158 107.9(2) . . ?
C155 C159 Fe13 67.6(3) . . ?
C158 C159 Fe13 71.6(3) . . ?
C155 C159 H15I 126.0 . . ?
C158 C159 H15I 126.0 . . ?
Fe13 C159 H15I 126.0 . . ?
Cl1S C1S Cl2S 111.94(15) . . ?
Cl1S C1S H1SA 109.2 . . ?
Cl2S C1S H1SA 109.2 . . ?
Cl1S C1S H1SB 109.2 . . ?
Cl2S C1S H1SB 109.2 . . ?
H1SA C1S H1SB 107.9 . . ?
Cl4S C2S Cl3S 117.44(17) . . ?
Cl3A C2S Cl4A 111.68(13) . . ?
Cl4S C2S H2SA 107.9 . . ?
Cl3S C2S H2SA 107.9 . . ?
Cl4S C2S H2SB 107.9 . . ?
Cl3S C2S H2SB 107.9 . . ?
H2SA C2S H2SB 107.2 . . ?
Cl3A C2S H2SC 109.3 . . ?
Cl4A C2S H2SC 109.3 . . ?
Cl3A C2S H2SD 109.3 . . ?
Cl4A C2S H2SD 109.3 . . ?
H2SC C2S H2SD 107.9 . . ?
Cl5S C3S Cl6S 99.1(3) . . ?
Cl5S C3S H3SA 111.9 . . ?
Cl6S C3S H3SA 111.9 . . ?
Cl5S C3S H3SB 111.9 . . ?
Cl6S C3S H3SB 111.9 . . ?
H3SA C3S H3SB 109.6 . . ?
Cl5A C3A Cl6A 101.8(3) . . ?
Cl5A C3A H3AA 111.4 . . ?
Cl6A C3A H3AA 111.4 . . ?
Cl5A C3A H3AB 111.4 . . ?
Cl6A C3A H3AB 111.4 . . ?
H3AA C3A H3AB 109.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C25 P1 C1 C2 153.42(12) . . . . ?
C13 P1 C1 C2 -100.24(12) . . . . ?
Ag1 P1 C1 C2 35.18(13) . . . . ?
P1 C1 C2 C3 172.72(11) . . . . ?
C1 C2 C3 C7 14.4(2) . . . . ?
C1 C2 C3 C4 -166.82(15) . . . . ?
C1 C2 C3 Fe1 -77.33(16) . . . . ?
C7 C3 C4 C5 -0.41(19) . . . . ?
C2 C3 C4 C5 -179.40(15) . . . . ?
Fe1 C3 C4 C5 58.93(12) . . . . ?
C7 C3 C4 Fe1 -59.34(12) . . . . ?
C2 C3 C4 Fe1 121.67(15) . . . . ?
C3 C4 C5 C6 0.0(2) . . . . ?
Fe1 C4 C5 C6 59.27(13) . . . . ?
C3 C4 C5 Fe1 -59.24(12) . . . . ?
C4 C5 C6 C7 0.4(2) . . . . ?
Fe1 C5 C6 C7 59.59(14) . . . . ?
C4 C5 C6 Fe1 -59.23(13) . . . . ?
C4 C3 C7 C6 0.6(2) . . . . ?
C2 C3 C7 C6 179.59(16) . . . . ?
Fe1 C3 C7 C6 -58.44(14) . . . . ?
C4 C3 C7 Fe1 59.08(11) . . . . ?
C2 C3 C7 Fe1 -121.96(16) . . . . ?
C5 C6 C7 C3 -0.6(2) . . . . ?
Fe1 C6 C7 C3 58.75(13) . . . . ?
C5 C6 C7 Fe1 -59.36(13) . . . . ?
C12 C8 C9 C10 1.1(9) . . . . ?
Fe1 C8 C9 C10 62.3(6) . . . . ?
C12 C8 C9 Fe1 -61.2(6) . . . . ?
C8 C9 C10 C11 -1.7(10) . . . . ?
Fe1 C9 C10 C11 60.1(7) . . . . ?
C8 C9 C10 Fe1 -61.8(5) . . . . ?
C9 C10 C11 C12 1.6(11) . . . . ?
Fe1 C10 C11 C12 59.4(6) . . . . ?
C9 C10 C11 Fe1 -57.8(7) . . . . ?
C9 C8 C12 C11 -0.1(10) . . . . ?
Fe1 C8 C12 C11 -58.9(7) . . . . ?
C9 C8 C12 Fe1 58.8(6) . . . . ?
C10 C11 C12 C8 -0.9(11) . . . . ?
Fe1 C11 C12 C8 57.5(6) . . . . ?
C10 C11 C12 Fe1 -58.4(7) . . . . ?
C12A C8A C9A C10A 0.3(9) . . . . ?
Fe1 C8A C9A C10A 56.0(7) . . . . ?
C12A C8A C9A Fe1 -55.8(6) . . . . ?
C8A C9A C10A C11A 0.9(11) . . . . ?
Fe1 C9A C10A C11A 58.7(8) . . . . ?
C8A C9A C10A Fe1 -57.8(6) . . . . ?
C9A C10A C11A C12A -1.7(12) . . . . ?
Fe1 C10A C11A C12A 60.3(7) . . . . ?
C9A C10A C11A Fe1 -62.0(7) . . . . ?
C9A C8A C12A C11A -1.3(10) . . . . ?
Fe1 C8A C12A C11A -59.6(7) . . . . ?
C9A C8A C12A Fe1 58.3(6) . . . . ?
C10A C11A C12A C8A 1.9(12) . . . . ?
Fe1 C11A C12A C8A 62.6(6) . . . . ?
C10A C11A C12A Fe1 -60.8(8) . . . . ?
C25 P1 C13 C14 -177.03(11) . . . . ?
C1 P1 C13 C14 77.93(13) . . . . ?
Ag1 P1 C13 C14 -53.11(13) . . . . ?
P1 C13 C14 C15 178.92(11) . . . . ?
C13 C14 C15 C16 -92.32(18) . . . . ?
C13 C14 C15 C19 87.08(18) . . . . ?
C13 C14 C15 Fe2 176.87(11) . . . . ?
C19 C15 C16 C17 1.15(16) . . . . ?
C14 C15 C16 C17 -179.36(13) . . . . ?
Fe2 C15 C16 C17 -58.83(10) . . . . ?
C19 C15 C16 Fe2 59.98(10) . . . . ?
C14 C15 C16 Fe2 -120.53(14) . . . . ?
C15 C16 C17 C18 -0.67(17) . . . . ?
Fe2 C16 C17 C18 -59.01(11) . . . . ?
C15 C16 C17 Fe2 58.35(10) . . . . ?
C16 C17 C18 C19 -0.09(18) . . . . ?
Fe2 C17 C18 C19 -58.86(11) . . . . ?
C16 C17 C18 Fe2 58.77(11) . . . . ?
C17 C18 C19 C15 0.81(18) . . . . ?
Fe2 C18 C19 C15 -58.46(11) . . . . ?
C17 C18 C19 Fe2 59.27(11) . . . . ?
C16 C15 C19 C18 -1.21(17) . . . . ?
C14 C15 C19 C18 179.30(13) . . . . ?
Fe2 C15 C19 C18 58.98(11) . . . . ?
C16 C15 C19 Fe2 -60.19(10) . . . . ?
C14 C15 C19 Fe2 120.32(14) . . . . ?
C24 C20 C21 C22 0.1(2) . . . . ?
Fe2 C20 C21 C22 59.14(12) . . . . ?
C24 C20 C21 Fe2 -59.00(12) . . . . ?
C20 C21 C22 C23 -0.03(19) . . . . ?
Fe2 C21 C22 C23 58.96(12) . . . . ?
C20 C21 C22 Fe2 -58.99(12) . . . . ?
C21 C22 C23 C24 -0.1(2) . . . . ?
Fe2 C22 C23 C24 59.01(12) . . . . ?
C21 C22 C23 Fe2 -59.09(12) . . . . ?
C22 C23 C24 C20 0.2(2) . . . . ?
Fe2 C23 C24 C20 59.42(12) . . . . ?
C22 C23 C24 Fe2 -59.25(12) . . . . ?
C21 C20 C24 C23 -0.2(2) . . . . ?
Fe2 C20 C24 C23 -59.46(13) . . . . ?
C21 C20 C24 Fe2 59.26(12) . . . . ?
C13 P1 C25 C26 59.60(13) . . . . ?
C1 P1 C25 C26 167.30(12) . . . . ?
Ag1 P1 C25 C26 -71.70(12) . . . . ?
P1 C25 C26 C27 166.98(11) . . . . ?
C25 C26 C27 C28 87.65(19) . . . . ?
C25 C26 C27 C31 -85.39(19) . . . . ?
C25 C26 C27 Fe3 -178.07(12) . . . . ?
C31 C27 C28 C29 -0.47(19) . . . . ?
C26 C27 C28 C29 -174.48(15) . . . . ?
Fe3 C27 C28 C29 59.10(11) . . . . ?
C31 C27 C28 Fe3 -59.56(11) . . . . ?
C26 C27 C28 Fe3 126.43(16) . . . . ?
C27 C28 C29 C30 0.27(19) . . . . ?
Fe3 C28 C29 C30 59.42(13) . . . . ?
C27 C28 C29 Fe3 -59.15(11) . . . . ?
C28 C29 C30 C31 0.0(2) . . . . ?
Fe3 C29 C30 C31 59.25(12) . . . . ?
C28 C29 C30 Fe3 -59.21(12) . . . . ?
C28 C27 C31 C30 0.49(19) . . . . ?
C26 C27 C31 C30 174.66(15) . . . . ?
Fe3 C27 C31 C30 -58.96(12) . . . . ?
C28 C27 C31 Fe3 59.46(11) . . . . ?
C26 C27 C31 Fe3 -126.38(16) . . . . ?
C29 C30 C31 C27 -0.3(2) . . . . ?
Fe3 C30 C31 C27 58.79(12) . . . . ?
C29 C30 C31 Fe3 -59.12(12) . . . . ?
C36 C32 C33 C34 -0.2(2) . . . . ?
Fe3 C32 C33 C34 -59.49(12) . . . . ?
C36 C32 C33 Fe3 59.33(13) . . . . ?
C32 C33 C34 C35 0.2(2) . . . . ?
Fe3 C33 C34 C35 -59.09(12) . . . . ?
C32 C33 C34 Fe3 59.30(13) . . . . ?
C33 C34 C35 C36 -0.2(2) . . . . ?
Fe3 C34 C35 C36 -59.28(13) . . . . ?
C33 C34 C35 Fe3 59.10(12) . . . . ?
C34 C35 C36 C32 0.1(2) . . . . ?
Fe3 C35 C36 C32 -59.21(13) . . . . ?
C34 C35 C36 Fe3 59.29(13) . . . . ?
C33 C32 C36 C35 0.1(2) . . . . ?
Fe3 C32 C36 C35 59.39(13) . . . . ?
C33 C32 C36 Fe3 -59.34(13) . . . . ?
C49 P2 C37 C38 165.7(3) . . . . ?
C61 P2 C37 C38 -89.0(3) . . . . ?
Ag2 P2 C37 C38 46.2(4) . . . . ?
P2 C37 C38 C39 -179.1(2) . . . . ?
C37 C38 C39 C43 -123.6(3) . . . . ?
C37 C38 C39 C40 43.7(7) . . . . ?
C37 C38 C39 Fe4 164.3(3) . . . . ?
C43 C39 C40 C41 -7.5(3) . . . . ?
C38 C39 C40 C41 -174.5(5) . . . . ?
Fe4 C39 C40 C41 53.75(19) . . . . ?
C43 C39 C40 Fe4 -61.26(17) . . . . ?
C38 C39 C40 Fe4 131.8(5) . . . . ?
C39 C40 C41 C42 8.0(3) . . . . ?
Fe4 C40 C41 C42 63.7(2) . . . . ?
C39 C40 C41 Fe4 -55.73(19) . . . . ?
C40 C41 C42 C43 -5.0(4) . . . . ?
Fe4 C41 C42 C43 58.7(2) . . . . ?
C40 C41 C42 Fe4 -63.7(2) . . . . ?
C41 C42 C43 C39 0.0(4) . . . . ?
Fe4 C42 C43 C39 55.9(2) . . . . ?
C41 C42 C43 Fe4 -55.9(2) . . . . ?
C40 C39 C43 C42 4.7(3) . . . . ?
C38 C39 C43 C42 179.1(3) . . . . ?
Fe4 C39 C43 C42 -56.3(2) . . . . ?
C40 C39 C43 Fe4 61.01(18) . . . . ?
C38 C39 C43 Fe4 -124.62(19) . . . . ?
C48 C44 C45 C46 0.2(5) . . . . ?
Fe4 C44 C45 C46 -58.5(3) . . . . ?
C48 C44 C45 Fe4 58.7(3) . . . . ?
C44 C45 C46 C47 -0.2(5) . . . . ?
Fe4 C45 C46 C47 -59.3(3) . . . . ?
C44 C45 C46 Fe4 59.1(3) . . . . ?
C45 C46 C47 C48 0.2(5) . . . . ?
Fe4 C46 C47 C48 -59.9(3) . . . . ?
C45 C46 C47 Fe4 60.1(3) . . . . ?
C45 C44 C48 C47 -0.1(5) . . . . ?
Fe4 C44 C48 C47 59.0(3) . . . . ?
C45 C44 C48 Fe4 -59.1(3) . . . . ?
C46 C47 C48 C44 -0.1(5) . . . . ?
Fe4 C47 C48 C44 -59.9(3) . . . . ?
C46 C47 C48 Fe4 59.8(3) . . . . ?
C49 P2 C37A C38A 98.5(3) . . . . ?
C61 P2 C37A C38A -157.5(3) . . . . ?
Ag2 P2 C37A C38A -33.0(4) . . . . ?
P2 C37A C38A C39A 172.5(3) . . . . ?
C37A C38A C39A C43A -36.9(11) . . . . ?
C37A C38A C39A C40A 141.7(4) . . . . ?
C37A C38A C39A Fe4A -155.2(3) . . . . ?
C43A C39A C40A C41A 8.0(6) . . . . ?
C38A C39A C40A C41A -171.5(5) . . . . ?
Fe4A C39A C40A C41A 61.5(4) . . . . ?
C43A C39A C40A Fe4A -53.5(3) . . . . ?
C38A C39A C40A Fe4A 126.99(19) . . . . ?
C39A C40A C41A C42A 1.5(7) . . . . ?
Fe4A C40A C41A C42A 64.3(4) . . . . ?
C39A C40A C41A Fe4A -62.8(3) . . . . ?
C40A C41A C42A C43A -9.6(7) . . . . ?
Fe4A C41A C42A C43A 51.5(3) . . . . ?
C40A C41A C42A Fe4A -61.1(5) . . . . ?
C40A C39A C43A C42A -13.8(5) . . . . ?
C38A C39A C43A C42A 164.7(7) . . . . ?
Fe4A C39A C43A C42A -67.7(3) . . . . ?
C40A C39A C43A Fe4A 53.9(3) . . . . ?
C38A C39A C43A Fe4A -127.6(9) . . . . ?
C41A C42A C43A C39A 14.3(6) . . . . ?
Fe4A C42A C43A C39A 67.0(3) . . . . ?
C41A C42A C43A Fe4A -52.7(4) . . . . ?
C48A C44A C45A C46A -0.9(6) . . . . ?
Fe4A C44A C45A C46A -60.1(4) . . . . ?
C48A C44A C45A Fe4A 59.2(3) . . . . ?
C44A C45A C46A C47A 0.1(6) . . . . ?
Fe4A C45A C46A C47A -59.0(4) . . . . ?
C44A C45A C46A Fe4A 59.1(4) . . . . ?
C45A C46A C47A C48A 0.8(6) . . . . ?
Fe4A C46A C47A C48A -57.3(3) . . . . ?
C45A C46A C47A Fe4A 58.1(4) . . . . ?
C46A C47A C48A C44A -1.4(6) . . . . ?
Fe4A C47A C48A C44A -59.5(3) . . . . ?
C46A C47A C48A Fe4A 58.1(3) . . . . ?
C45A C44A C48A C47A 1.4(6) . . . . ?
Fe4A C44A C48A C47A 60.7(3) . . . . ?
C45A C44A C48A Fe4A -59.3(4) . . . . ?
C37 P2 C49 C50 -67.7(2) . . . . ?
C61 P2 C49 C50 178.29(14) . . . . ?
C37A P2 C49 C50 -81.99(19) . . . . ?
Ag2 P2 C49 C50 50.92(15) . . . . ?
P2 C49 C50 C51 -166.55(13) . . . . ?
C49 C50 C51 C52 82.1(2) . . . . ?
C49 C50 C51 C55 -95.7(2) . . . . ?
C49 C50 C51 Fe5 172.60(13) . . . . ?
C55 C51 C52 C53 -0.4(2) . . . . ?
C50 C51 C52 C53 -178.54(16) . . . . ?
Fe5 C51 C52 C53 59.01(13) . . . . ?
C55 C51 C52 Fe5 -59.38(12) . . . . ?
C50 C51 C52 Fe5 122.44(17) . . . . ?
C51 C52 C53 C54 -0.1(2) . . . . ?
Fe5 C52 C53 C54 58.75(13) . . . . ?
C51 C52 C53 Fe5 -58.87(12) . . . . ?
C52 C53 C54 C55 0.6(2) . . . . ?
Fe5 C53 C54 C55 59.45(13) . . . . ?
C52 C53 C54 Fe5 -58.89(13) . . . . ?
C53 C54 C55 C51 -0.8(2) . . . . ?
Fe5 C54 C55 C51 59.04(13) . . . . ?
C53 C54 C55 Fe5 -59.82(13) . . . . ?
C52 C51 C55 C54 0.7(2) . . . . ?
C50 C51 C55 C54 178.83(17) . . . . ?
Fe5 C51 C55 C54 -58.85(13) . . . . ?
C52 C51 C55 Fe5 59.56(12) . . . . ?
C50 C51 C55 Fe5 -122.31(18) . . . . ?
C60 C56 C57 C58 -0.4(2) . . . . ?
Fe5 C56 C57 C58 -59.98(14) . . . . ?
C60 C56 C57 Fe5 59.57(13) . . . . ?
C56 C57 C58 C59 0.4(2) . . . . ?
Fe5 C57 C58 C59 -59.04(14) . . . . ?
C56 C57 C58 Fe5 59.41(13) . . . . ?
C57 C58 C59 C60 -0.2(2) . . . . ?
Fe5 C58 C59 C60 -59.05(14) . . . . ?
C57 C58 C59 Fe5 58.87(14) . . . . ?
C58 C59 C60 C56 -0.1(2) . . . . ?
Fe5 C59 C60 C56 -59.70(14) . . . . ?
C58 C59 C60 Fe5 59.63(14) . . . . ?
C57 C56 C60 C59 0.3(2) . . . . ?
Fe5 C56 C60 C59 60.06(14) . . . . ?
C57 C56 C60 Fe5 -59.77(14) . . . . ?
C49 P2 C61 C62 -158.34(16) . . . . ?
C37 P2 C61 C62 98.6(2) . . . . ?
C37A P2 C61 C62 89.5(2) . . . . ?
Ag2 P2 C61 C62 -33.89(18) . . . . ?
P2 C61 C62 C63 -173.62(15) . . . . ?
C61 C62 C63 C64 -12.1(3) . . . . ?
C61 C62 C63 C67 168.55(19) . . . . ?
C61 C62 C63 Fe6 73.9(2) . . . . ?
C61 C62 C63 Fe6A 84.1(2) . . . . ?
C67 C63 C64 C65 -0.3(2) . . . . ?
C62 C63 C64 C65 -179.7(2) . . . . ?
Fe6 C63 C64 C65 57.95(16) . . . . ?
Fe6A C63 C64 C65 58.57(16) . . . . ?
C67 C63 C64 Fe6 -58.23(15) . . . . ?
C62 C63 C64 Fe6 122.3(2) . . . . ?
C67 C63 C64 Fe6A -58.84(14) . . . . ?
C62 C63 C64 Fe6A 121.7(2) . . . . ?
C63 C64 C65 C66 0.8(3) . . . . ?
Fe6 C64 C65 C66 61.76(17) . . . . ?
Fe6A C64 C65 C66 57.13(16) . . . . ?
C63 C64 C65 Fe6 -60.99(16) . . . . ?
C63 C64 C65 Fe6A -56.36(16) . . . . ?
C64 C65 C66 C67 -1.0(2) . . . . ?
Fe6 C65 C66 C67 58.32(16) . . . . ?
Fe6A C65 C66 C67 59.21(15) . . . . ?
C64 C65 C66 Fe6 -59.28(16) . . . . ?
C64 C65 C66 Fe6A -60.18(16) . . . . ?
C65 C66 C67 C63 0.8(2) . . . . ?
Fe6 C66 C67 C63 55.30(14) . . . . ?
Fe6A C66 C67 C63 64.94(14) . . . . ?
C65 C66 C67 Fe6A -64.14(16) . . . . ?
C65 C66 C67 Fe6 -54.50(15) . . . . ?
C64 C63 C67 C66 -0.3(2) . . . . ?
C62 C63 C67 C66 179.1(2) . . . . ?
Fe6 C63 C67 C66 -54.98(14) . . . . ?
Fe6A C63 C67 C66 -64.47(14) . . . . ?
C64 C63 C67 Fe6A 64.15(15) . . . . ?
C62 C63 C67 Fe6A -116.4(2) . . . . ?
C64 C63 C67 Fe6 54.66(14) . . . . ?
C62 C63 C67 Fe6 -125.9(2) . . . . ?
C66 C65 Fe6 C64 -118.58(17) . . . . ?
C64 C65 Fe6 C66 118.58(17) . . . . ?
C66 C65 Fe6 C63 -80.33(12) . . . . ?
C64 C65 Fe6 C63 38.25(11) . . . . ?
C66 C65 Fe6 C67 -36.69(12) . . . . ?
C64 C65 Fe6 C67 81.89(13) . . . . ?
C66 C65 Fe6 C69 148.4(3) . . . . ?
C64 C65 Fe6 C69 -93.0(3) . . . . ?
C66 C65 Fe6 C70 104.2(2) . . . . ?
C64 C65 Fe6 C70 -137.2(2) . . . . ?
C66 C65 Fe6 C68 -170.1(7) . . . . ?
C64 C65 Fe6 C68 -51.5(7) . . . . ?
C66 C65 Fe6 C71 61.9(3) . . . . ?
C64 C65 Fe6 C71 -179.6(2) . . . . ?
C66 C65 Fe6 C72 26.4(4) . . . . ?
C64 C65 Fe6 C72 145.0(4) . . . . ?
C72 C68 C69 C70 2.0(6) . . . . ?
Fe6 C68 C69 C70 -64.5(5) . . . . ?
C72 C68 C69 Fe6 66.5(3) . . . . ?
C68 C69 C70 C71 -1.3(8) . . . . ?
Fe6 C69 C70 C71 -69.5(7) . . . . ?
C68 C69 C70 Fe6 68.2(4) . . . . ?
C69 C70 C71 C72 0.0(10) . . . . ?
Fe6 C70 C71 C72 -63.5(6) . . . . ?
C69 C70 C71 Fe6 63.6(5) . . . . ?
C69 C68 C72 C71 -2.0(7) . . . . ?
Fe6 C68 C72 C71 56.4(5) . . . . ?
C69 C68 C72 Fe6 -58.3(3) . . . . ?
C70 C71 C72 C68 1.2(9) . . . . ?
Fe6 C71 C72 C68 -55.0(4) . . . . ?
C70 C71 C72 Fe6 56.2(6) . . . . ?
C72A C68A C69A C70A -0.9(6) . . . . ?
Fe6A C68A C69A C70A -50.3(5) . . . . ?
C72A C68A C69A Fe6A 49.4(3) . . . . ?
C68A C69A C70A C71A -0.1(8) . . . . ?
Fe6A C69A C70A C71A -50.3(6) . . . . ?
C68A C69A C70A Fe6A 50.2(4) . . . . ?
C69A C70A C71A C72A 1.0(10) . . . . ?
Fe6A C70A C71A C72A -57.8(5) . . . . ?
C69A C70A C71A Fe6A 58.8(6) . . . . ?
C72A Fe6A C71A C70A -117.6(4) . . . . ?
C68A Fe6A C71A C70A -77.3(3) . . . . ?
C67 Fe6A C71A C70A 141.0(3) . . . . ?
C66 Fe6A C71A C70A 94.6(4) . . . . ?
C69A Fe6A C71A C70A -35.3(3) . . . . ?
C63 Fe6A C71A C70A -176.2(4) . . . . ?
C65 Fe6A C71A C70A 53.5(5) . . . . ?
C68A Fe6A C71A C72A 40.3(2) . . . . ?
C70A Fe6A C71A C72A 117.6(4) . . . . ?
C67 Fe6A C71A C72A -101.4(3) . . . . ?
C66 Fe6A C71A C72A -147.8(3) . . . . ?
C69A Fe6A C71A C72A 82.3(3) . . . . ?
C63 Fe6A C71A C72A -58.6(6) . . . . ?
C65 Fe6A C71A C72A 171.1(3) . . . . ?
C69A C68A C72A C71A 1.6(6) . . . . ?
Fe6A C68A C72A C71A 60.1(5) . . . . ?
C69A C68A C72A Fe6A -58.5(3) . . . . ?
C70A C71A C72A C68A -1.6(9) . . . . ?
Fe6A C71A C72A C68A -66.3(4) . . . . ?
C70A C71A C72A Fe6A 64.7(6) . . . . ?
C71A Fe6A C72A C68A 116.4(3) . . . . ?
C70A Fe6A C72A C68A 76.9(2) . . . . ?
C67 Fe6A C72A C68A -135.7(2) . . . . ?
C66 Fe6A C72A C68A -173.8(3) . . . . ?
C69A Fe6A C72A C68A 34.8(2) . . . . ?
C63 Fe6A C72A C68A -91.1(2) . . . . ?
C64 Fe6A C72A C68A -52.8(3) . . . . ?
C68A Fe6A C72A C71A -116.4(3) . . . . ?
C70A Fe6A C72A C71A -39.5(3) . . . . ?
C67 Fe6A C72A C71A 107.9(3) . . . . ?
C66 Fe6A C72A C71A 69.8(4) . . . . ?
C69A Fe6A C72A C71A -81.6(3) . . . . ?
C63 Fe6A C72A C71A 152.6(3) . . . . ?
C64 Fe6A C72A C71A -169.1(3) . . . . ?
C97 P3 C73 C74 174.40(10) . . . . ?
C85 P3 C73 C74 64.97(12) . . . . ?
Ag3 P3 C73 C74 -60.11(11) . . . . ?
P3 C73 C74 C75 161.65(11) . . . . ?
C73 C74 C75 C79 16.3(2) . . . . ?
C73 C74 C75 C76 -165.74(14) . . . . ?
C73 C74 C75 Fe7 -75.73(17) . . . . ?
C79 C75 C76 C77 0.14(17) . . . . ?
C74 C75 C76 C77 -178.13(14) . . . . ?
Fe7 C75 C76 C77 59.49(11) . . . . ?
C79 C75 C76 Fe7 -59.34(10) . . . . ?
C74 C75 C76 Fe7 122.38(15) . . . . ?
C75 C76 C77 C78 -0.06(17) . . . . ?
Fe7 C76 C77 C78 59.55(11) . . . . ?
C75 C76 C77 Fe7 -59.61(10) . . . . ?
C76 C77 C78 C79 -0.04(17) . . . . ?
Fe7 C77 C78 C79 59.02(11) . . . . ?
C76 C77 C78 Fe7 -59.06(11) . . . . ?
C77 C78 C79 C75 0.13(17) . . . . ?
Fe7 C78 C79 C75 58.93(10) . . . . ?
C77 C78 C79 Fe7 -58.80(11) . . . . ?
C76 C75 C79 C78 -0.17(17) . . . . ?
C74 C75 C79 C78 178.07(14) . . . . ?
Fe7 C75 C79 C78 -59.12(11) . . . . ?
C76 C75 C79 Fe7 58.95(10) . . . . ?
C74 C75 C79 Fe7 -122.80(15) . . . . ?
C84 C80 C81 C82 0.20(19) . . . . ?
Fe7 C80 C81 C82 -59.21(12) . . . . ?
C84 C80 C81 Fe7 59.41(11) . . . . ?
C80 C81 C82 C83 -0.16(19) . . . . ?
Fe7 C81 C82 C83 -59.49(11) . . . . ?
C80 C81 C82 Fe7 59.33(12) . . . . ?
C81 C82 C83 C84 0.06(18) . . . . ?
Fe7 C82 C83 C84 -59.39(11) . . . . ?
C81 C82 C83 Fe7 59.45(12) . . . . ?
C81 C80 C84 C83 -0.16(18) . . . . ?
Fe7 C80 C84 C83 59.26(11) . . . . ?
C81 C80 C84 Fe7 -59.43(12) . . . . ?
C82 C83 C84 C80 0.06(18) . . . . ?
Fe7 C83 C84 C80 -59.25(11) . . . . ?
C82 C83 C84 Fe7 59.32(11) . . . . ?
C73 P3 C85 C86 -179.94(11) . . . . ?
C97 P3 C85 C86 69.93(12) . . . . ?
Ag3 P3 C85 C86 -54.79(12) . . . . ?
P3 C85 C86 C87 171.16(11) . . . . ?
C85 C86 C87 C91 27.2(3) . . . . ?
C85 C86 C87 C88 -155.70(16) . . . . ?
C85 C86 C87 Fe8 -66.92(18) . . . . ?
C91 C87 C88 C89 -0.2(2) . . . . ?
C86 C87 C88 C89 -177.78(17) . . . . ?
Fe8 C87 C88 C89 59.20(14) . . . . ?
C91 C87 C88 Fe8 -59.35(13) . . . . ?
C86 C87 C88 Fe8 123.02(17) . . . . ?
C87 C88 C89 C90 -0.1(2) . . . . ?
Fe8 C88 C89 C90 59.30(16) . . . . ?
C87 C88 C89 Fe8 -59.43(13) . . . . ?
C88 C89 C90 C91 0.4(3) . . . . ?
Fe8 C89 C90 C91 59.61(15) . . . . ?
C88 C89 C90 Fe8 -59.24(16) . . . . ?
C88 C87 C91 C90 0.4(2) . . . . ?
C86 C87 C91 C90 177.83(18) . . . . ?
Fe8 C87 C91 C90 -58.58(14) . . . . ?
C88 C87 C91 Fe8 58.96(12) . . . . ?
C86 C87 C91 Fe8 -123.58(18) . . . . ?
C89 C90 C91 C87 -0.5(2) . . . . ?
Fe8 C90 C91 C87 58.90(13) . . . . ?
C89 C90 C91 Fe8 -59.37(16) . . . . ?
C96 C92 C93 C94 0.5(3) . . . . ?
Fe8 C92 C93 C94 -58.80(16) . . . . ?
C96 C92 C93 Fe8 59.32(15) . . . . ?
C92 C93 C94 C95 -0.6(3) . . . . ?
Fe8 C93 C94 C95 -59.44(15) . . . . ?
C92 C93 C94 Fe8 58.86(15) . . . . ?
C93 C94 C95 C96 0.4(2) . . . . ?
Fe8 C94 C95 C96 -59.27(15) . . . . ?
C93 C94 C95 Fe8 59.70(15) . . . . ?
C93 C92 C96 C95 -0.2(2) . . . . ?
Fe8 C92 C96 C95 59.30(15) . . . . ?
C93 C92 C96 Fe8 -59.54(16) . . . . ?
C94 C95 C96 C92 -0.1(2) . . . . ?
Fe8 C95 C96 C92 -59.69(15) . . . . ?
C94 C95 C96 Fe8 59.57(15) . . . . ?
C73 P3 C97 C98 -70.84(13) . . . . ?
C85 P3 C97 C98 38.70(14) . . . . ?
Ag3 P3 C97 C98 163.52(10) . . . . ?
P3 C97 C98 C99 175.89(11) . . . . ?
C97 C98 C99 C100 147.67(17) . . . . ?
C97 C98 C99 C103 -35.9(2) . . . . ?
C97 C98 C99 Fe9 63.26(18) . . . . ?
C97 C98 C99 Fe9A 48.35(19) . . . . ?
C103 C99 C100 C101 0.7(2) . . . . ?
C98 C99 C100 C101 177.75(16) . . . . ?
Fe9 C99 C100 C101 -62.53(15) . . . . ?
Fe9A C99 C100 C101 -55.40(15) . . . . ?
C103 C99 C100 Fe9 63.28(12) . . . . ?
C98 C99 C100 Fe9 -119.72(16) . . . . ?
C103 C99 C100 Fe9A 56.14(12) . . . . ?
C98 C99 C100 Fe9A -126.85(16) . . . . ?
C99 C100 C101 C102 -0.5(2) . . . . ?
Fe9 C100 C101 C102 -64.70(15) . . . . ?
Fe9A C100 C101 C102 -55.23(15) . . . . ?
C99 C100 C101 Fe9 64.15(14) . . . . ?
C99 C100 C101 Fe9A 54.68(13) . . . . ?
C100 C101 C102 C103 0.1(2) . . . . ?
Fe9 C101 C102 C103 -58.48(15) . . . . ?
Fe9A C101 C102 C103 -60.35(14) . . . . ?
C100 C101 C102 Fe9A 60.47(15) . . . . ?
C100 C101 C102 Fe9 58.61(14) . . . . ?
C100 C99 C103 C102 -0.7(2) . . . . ?
C98 C99 C103 C102 -177.70(15) . . . . ?
Fe9 C99 C103 C102 56.03(14) . . . . ?
Fe9A C99 C103 C102 61.68(14) . . . . ?
C100 C99 C103 Fe9A -62.35(13) . . . . ?
C98 C99 C103 Fe9A 120.62(15) . . . . ?
C100 C99 C103 Fe9 -56.69(12) . . . . ?
C98 C99 C103 Fe9 126.28(16) . . . . ?
C101 C102 C103 C99 0.3(2) . . . . ?
Fe9A C102 C103 C99 -64.84(13) . . . . ?
Fe9 C102 C103 C99 -53.74(13) . . . . ?
C101 C102 C103 Fe9A 65.18(15) . . . . ?
C101 C102 C103 Fe9 54.08(14) . . . . ?
C108 C104 C105 C106 -0.9(4) . . . . ?
Fe9 C104 C105 C106 57.4(3) . . . . ?
C108 C104 C105 Fe9 -58.4(3) . . . . ?
C104 C105 C106 C107 1.0(5) . . . . ?
Fe9 C105 C106 C107 70.6(3) . . . . ?
C104 C105 C106 Fe9 -69.6(3) . . . . ?
C100 Fe9 C106 C105 -114.7(2) . . . . ?
C101 Fe9 C106 C105 -173.3(2) . . . . ?
C99 Fe9 C106 C105 -53.8(3) . . . . ?
C107 Fe9 C106 C105 112.8(3) . . . . ?
C102 Fe9 C106 C105 125.9(3) . . . . ?
C103 Fe9 C106 C105 30.9(5) . . . . ?
C104 Fe9 C106 C105 36.95(16) . . . . ?
C108 Fe9 C106 C105 76.36(18) . . . . ?
C100 Fe9 C106 C107 132.6(2) . . . . ?
C101 Fe9 C106 C107 73.9(3) . . . . ?
C99 Fe9 C106 C107 -166.6(2) . . . . ?
C105 Fe9 C106 C107 -112.8(3) . . . . ?
C102 Fe9 C106 C107 13.1(4) . . . . ?
C103 Fe9 C106 C107 -81.9(5) . . . . ?
C104 Fe9 C106 C107 -75.80(19) . . . . ?
C108 Fe9 C106 C107 -36.39(18) . . . . ?
C105 C106 C107 C108 -0.7(6) . . . . ?
Fe9 C106 C107 C108 68.8(4) . . . . ?
C105 C106 C107 Fe9 -69.4(3) . . . . ?
C106 C107 C108 C104 0.1(6) . . . . ?
Fe9 C107 C108 C104 56.2(3) . . . . ?
C106 C107 C108 Fe9 -56.1(3) . . . . ?
C105 C104 C108 C107 0.5(5) . . . . ?
Fe9 C104 C108 C107 -50.7(4) . . . . ?
C105 C104 C108 Fe9 51.2(3) . . . . ?
C149 Fe9A C145 C146 -114.1(3) . . . . ?
C103 Fe9A C145 C146 118.7(2) . . . . ?
C102 Fe9A C145 C146 171.7(2) . . . . ?
C99 Fe9A C145 C146 69.6(2) . . . . ?
C101 Fe9A C145 C146 -58.8(8) . . . . ?
C148 Fe9A C145 C146 -74.4(2) . . . . ?
C100 Fe9A C145 C146 23.8(3) . . . . ?
C147 Fe9A C145 C146 -34.42(17) . . . . ?
C103 Fe9A C145 C149 -127.2(2) . . . . ?
C102 Fe9A C145 C149 -74.2(3) . . . . ?
C99 Fe9A C145 C149 -176.3(2) . . . . ?
C101 Fe9A C145 C149 55.3(8) . . . . ?
C148 Fe9A C145 C149 39.69(19) . . . . ?
C146 Fe9A C145 C149 114.1(3) . . . . ?
C100 Fe9A C145 C149 137.9(3) . . . . ?
C147 Fe9A C145 C149 79.7(2) . . . . ?
C149 C145 C146 C147 0.1(5) . . . . ?
Fe9A C145 C146 C147 62.2(3) . . . . ?
C149 C145 C146 Fe9A -62.1(3) . . . . ?
C145 C146 C147 C148 0.1(5) . . . . ?
Fe9A C146 C147 C148 51.1(3) . . . . ?
C145 C146 C147 Fe9A -51.0(3) . . . . ?
C146 C147 C148 C149 -0.2(6) . . . . ?
Fe9A C147 C148 C149 51.4(4) . . . . ?
C146 C147 C148 Fe9A -51.6(3) . . . . ?
C147 C148 C149 C145 0.3(6) . . . . ?
Fe9A C148 C149 C145 63.5(3) . . . . ?
C147 C148 C149 Fe9A -63.2(4) . . . . ?
C146 C145 C149 C148 -0.2(6) . . . . ?
Fe9A C145 C149 C148 -71.7(4) . . . . ?
C146 C145 C149 Fe9A 71.5(3) . . . . ?
C145 Fe9A C149 C148 113.5(3) . . . . ?
C103 Fe9A C149 C148 -153.4(2) . . . . ?
C102 Fe9A C149 C148 -101.8(2) . . . . ?
C99 Fe9A C149 C148 126.3(7) . . . . ?
C101 Fe9A C149 C148 -53.5(3) . . . . ?
C146 Fe9A C149 C148 74.5(2) . . . . ?
C100 Fe9A C149 C148 -3.9(5) . . . . ?
C147 Fe9A C149 C148 34.8(2) . . . . ?
C103 Fe9A C149 C145 93.1(3) . . . . ?
C102 Fe9A C149 C145 144.6(2) . . . . ?
C99 Fe9A C149 C145 12.7(8) . . . . ?
C101 Fe9A C149 C145 -167.1(2) . . . . ?
C148 Fe9A C149 C145 -113.5(3) . . . . ?
C146 Fe9A C149 C145 -38.99(18) . . . . ?
C100 Fe9A C149 C145 -117.4(4) . . . . ?
C147 Fe9A C149 C145 -78.7(2) . . . . ?
C133 P4 C109 C110 -94.69(14) . . . . ?
C121 P4 C109 C110 157.21(13) . . . . ?
Ag4 P4 C109 C110 33.48(15) . . . . ?
P4 C109 C110 C111 72.34(18) . . . . ?
C109 C110 C111 C115 102.68(19) . . . . ?
C109 C110 C111 C112 -78.8(2) . . . . ?
C109 C110 C111 Fe10 -168.08(12) . . . . ?
C115 C111 C112 C113 -0.07(18) . . . . ?
C110 C111 C112 C113 -178.79(16) . . . . ?
Fe10 C111 C112 C113 -59.70(12) . . . . ?
C115 C111 C112 Fe10 59.63(11) . . . . ?
C110 C111 C112 Fe10 -119.09(17) . . . . ?
C111 C112 C113 C114 0.3(2) . . . . ?
Fe10 C112 C113 C114 -59.09(12) . . . . ?
C111 C112 C113 Fe10 59.38(12) . . . . ?
C112 C113 C114 C115 -0.38(19) . . . . ?
Fe10 C113 C114 C115 -58.78(12) . . . . ?
C112 C113 C114 Fe10 58.40(12) . . . . ?
C113 C114 C115 C111 0.34(19) . . . . ?
Fe10 C114 C115 C111 -58.61(11) . . . . ?
C113 C114 C115 Fe10 58.95(12) . . . . ?
C112 C111 C115 C114 -0.16(18) . . . . ?
C110 C111 C115 C114 178.57(15) . . . . ?
Fe10 C111 C115 C114 59.09(11) . . . . ?
C112 C111 C115 Fe10 -59.25(11) . . . . ?
C110 C111 C115 Fe10 119.48(16) . . . . ?
C120 C116 C117 C118 -0.3(2) . . . . ?
Fe10 C116 C117 C118 59.76(14) . . . . ?
C120 C116 C117 Fe10 -60.08(13) . . . . ?
C116 C117 C118 C119 0.2(2) . . . . ?
Fe10 C117 C118 C119 59.25(12) . . . . ?
C116 C117 C118 Fe10 -59.00(13) . . . . ?
C117 C118 C119 C120 -0.1(2) . . . . ?
Fe10 C118 C119 C120 58.62(12) . . . . ?
C117 C118 C119 Fe10 -58.70(13) . . . . ?
C118 C119 C120 C116 -0.1(2) . . . . ?
Fe10 C119 C120 C116 58.86(14) . . . . ?
C118 C119 C120 Fe10 -58.98(12) . . . . ?
C117 C116 C120 C119 0.3(2) . . . . ?
Fe10 C116 C120 C119 -59.64(13) . . . . ?
C117 C116 C120 Fe10 59.92(14) . . . . ?
C109 P4 C121 C122 -81.55(13) . . . . ?
C133 P4 C121 C122 168.59(11) . . . . ?
Ag4 P4 C121 C122 43.62(12) . . . . ?
P4 C121 C122 C123 172.37(12) . . . . ?
C121 C122 C123 C124 22.8(2) . . . . ?
C121 C122 C123 C127 -162.44(16) . . . . ?
C121 C122 C123 Fe11 -71.4(2) . . . . ?
C127 C123 C124 C125 0.5(2) . . . . ?
C122 C123 C124 C125 176.06(16) . . . . ?
Fe11 C123 C124 C125 -58.36(13) . . . . ?
C127 C123 C124 Fe11 58.90(12) . . . . ?
C122 C123 C124 Fe11 -125.58(17) . . . . ?
C123 C124 C125 C126 -0.7(2) . . . . ?
Fe11 C124 C125 C126 -59.64(13) . . . . ?
C123 C124 C125 Fe11 58.98(13) . . . . ?
C124 C125 C126 C127 0.5(2) . . . . ?
Fe11 C125 C126 C127 -59.34(13) . . . . ?
C124 C125 C126 Fe11 59.86(13) . . . . ?
C125 C126 C127 C123 -0.2(2) . . . . ?
Fe11 C126 C127 C123 -59.32(12) . . . . ?
C125 C126 C127 Fe11 59.12(13) . . . . ?
C124 C123 C127 C126 -0.2(2) . . . . ?
C122 C123 C127 C126 -175.91(16) . . . . ?
Fe11 C123 C127 C126 58.88(12) . . . . ?
C124 C123 C127 Fe11 -59.09(12) . . . . ?
C122 C123 C127 Fe11 125.22(16) . . . . ?
C132 C128 C129 C130 -0.4(2) . . . . ?
Fe11 C128 C129 C130 59.56(15) . . . . ?
C132 C128 C129 Fe11 -59.93(14) . . . . ?
C128 C129 C130 C131 0.4(2) . . . . ?
Fe11 C129 C130 C131 60.17(15) . . . . ?
C128 C129 C130 Fe11 -59.75(14) . . . . ?
C129 C130 C131 C132 -0.3(2) . . . . ?
Fe11 C130 C131 C132 59.24(14) . . . . ?
C129 C130 C131 Fe11 -59.54(15) . . . . ?
C129 C128 C132 C131 0.2(2) . . . . ?
Fe11 C128 C132 C131 -59.19(14) . . . . ?
C129 C128 C132 Fe11 59.37(14) . . . . ?
C130 C131 C132 C128 0.1(2) . . . . ?
Fe11 C131 C132 C128 59.03(14) . . . . ?
C130 C131 C132 Fe11 -58.95(15) . . . . ?
C109 P4 C133 C134 169.55(14) . . . . ?
C121 P4 C133 C134 -83.48(15) . . . . ?
Ag4 P4 C133 C134 40.77(15) . . . . ?
P4 C133 C134 C150 -169.37(15) . . . . ?
P4 C133 C134 C135 -169.37(15) . . . . ?
C133 C134 C135 C139 68.0(4) . . . . ?
C133 C134 C135 C136 -107.3(4) . . . . ?
C133 C134 C135 Fe12 159.24(19) . . . . ?
C139 C135 C136 C137 3.7(6) . . . . ?
C134 C135 C136 C137 -180.0(3) . . . . ?
Fe12 C135 C136 C137 -58.6(4) . . . . ?
C139 C135 C136 Fe12 62.3(3) . . . . ?
C134 C135 C136 Fe12 -121.4(2) . . . . ?
C135 C136 C137 C138 -2.1(6) . . . . ?
Fe12 C136 C137 C138 -57.0(3) . . . . ?
C135 C136 C137 Fe12 55.0(4) . . . . ?
C136 C137 C138 C139 -0.3(6) . . . . ?
Fe12 C137 C138 C139 -60.9(4) . . . . ?
C136 C137 C138 Fe12 60.6(4) . . . . ?
C136 C135 C139 C138 -3.9(6) . . . . ?
C134 C135 C139 C138 -179.5(3) . . . . ?
Fe12 C135 C139 C138 63.7(4) . . . . ?
C136 C135 C139 Fe12 -67.7(4) . . . . ?
C134 C135 C139 Fe12 116.7(3) . . . . ?
C137 C138 C139 C135 2.6(5) . . . . ?
Fe12 C138 C139 C135 -63.1(3) . . . . ?
C137 C138 C139 Fe12 65.7(3) . . . . ?
C144 C140 C141 C142 0.6(5) . . . . ?
Fe12 C140 C141 C142 55.4(3) . . . . ?
C144 C140 C141 Fe12 -54.9(3) . . . . ?
C140 C141 C142 C143 -0.4(4) . . . . ?
Fe12 C141 C142 C143 52.7(3) . . . . ?
C140 C141 C142 Fe12 -53.1(3) . . . . ?
C141 C142 C143 C144 0.0(4) . . . . ?
Fe12 C142 C143 C144 55.7(3) . . . . ?
C141 C142 C143 Fe12 -55.6(3) . . . . ?
C140 Fe12 C143 C144 -39.95(19) . . . . ?
C142 Fe12 C143 C144 -120.6(3) . . . . ?
C141 Fe12 C143 C144 -84.5(2) . . . . ?
C139 Fe12 C143 C144 85.0(3) . . . . ?
C135 Fe12 C143 C144 54.2(11) . . . . ?
C138 Fe12 C143 C144 126.3(3) . . . . ?
C137 Fe12 C143 C144 166.7(4) . . . . ?
C136 Fe12 C143 C144 -162.8(8) . . . . ?
C144 Fe12 C143 C142 120.6(3) . . . . ?
C140 Fe12 C143 C142 80.7(2) . . . . ?
C141 Fe12 C143 C142 36.14(18) . . . . ?
C139 Fe12 C143 C142 -154.4(4) . . . . ?
C135 Fe12 C143 C142 174.8(12) . . . . ?
C138 Fe12 C143 C142 -113.1(3) . . . . ?
C137 Fe12 C143 C142 -72.7(3) . . . . ?
C136 Fe12 C143 C142 -42.2(8) . . . . ?
C142 C143 C144 C140 0.3(5) . . . . ?
Fe12 C143 C144 C140 60.7(3) . . . . ?
C142 C143 C144 Fe12 -60.4(3) . . . . ?
C141 C140 C144 C143 -0.5(5) . . . . ?
Fe12 C140 C144 C143 -60.1(3) . . . . ?
C141 C140 C144 Fe12 59.6(4) . . . . ?
C140 Fe12 C144 C143 118.4(3) . . . . ?
C142 Fe12 C144 C143 37.38(18) . . . . ?
C141 Fe12 C144 C143 81.0(2) . . . . ?
C139 Fe12 C144 C143 -121.9(3) . . . . ?
C135 Fe12 C144 C143 -165.3(4) . . . . ?
C138 Fe12 C144 C143 -79.4(4) . . . . ?
C137 Fe12 C144 C143 -45.7(11) . . . . ?
C136 Fe12 C144 C143 160.7(9) . . . . ?
C143 Fe12 C144 C140 -118.4(3) . . . . ?
C142 Fe12 C144 C140 -81.0(2) . . . . ?
C141 Fe12 C144 C140 -37.3(2) . . . . ?
C139 Fe12 C144 C140 119.8(3) . . . . ?
C135 Fe12 C144 C140 76.3(3) . . . . ?
C138 Fe12 C144 C140 162.2(4) . . . . ?
C137 Fe12 C144 C140 -164.1(12) . . . . ?
C136 Fe12 C144 C140 42.3(8) . . . . ?
C133 C134 C150 C154 78.3(4) . . . . ?
C133 C134 C150 C151 -110.2(5) . . . . ?
C133 C134 C150 Fe13 164.92(19) . . . . ?
C154 C150 C151 C152 -2.6(6) . . . . ?
C134 C150 C151 C152 -174.8(3) . . . . ?
Fe13 C150 C151 C152 -60.4(4) . . . . ?
C154 C150 C151 Fe13 57.8(4) . . . . ?
C134 C150 C151 Fe13 -114.4(3) . . . . ?
C150 Fe13 C151 C152 118.3(3) . . . . ?
C153 Fe13 C151 C152 38.4(2) . . . . ?
C154 Fe13 C151 C152 81.6(2) . . . . ?
C156 Fe13 C151 C152 -116.8(3) . . . . ?
C155 Fe13 C151 C152 -161.9(4) . . . . ?
C157 Fe13 C151 C152 -73.8(5) . . . . ?
C159 Fe13 C151 C152 158.5(6) . . . . ?
C152 Fe13 C151 C150 -118.3(3) . . . . ?
C153 Fe13 C151 C150 -79.9(2) . . . . ?
C154 Fe13 C151 C150 -36.71(19) . . . . ?
C156 Fe13 C151 C150 124.9(3) . . . . ?
C155 Fe13 C151 C150 79.8(3) . . . . ?
C157 Fe13 C151 C150 167.9(4) . . . . ?
C159 Fe13 C151 C150 40.2(7) . . . . ?
C150 C151 C152 C153 1.7(6) . . . . ?
Fe13 C151 C152 C153 -61.8(3) . . . . ?
C150 C151 C152 Fe13 63.4(4) . . . . ?
C151 Fe13 C152 C153 118.8(3) . . . . ?
C150 Fe13 C152 C153 79.4(2) . . . . ?
C154 Fe13 C152 C153 35.8(2) . . . . ?
C156 Fe13 C152 C153 -148.7(3) . . . . ?
C155 Fe13 C152 C153 177.5(10) . . . . ?
C157 Fe13 C152 C153 -106.5(3) . . . . ?
C159 Fe13 C152 C153 -33.7(8) . . . . ?
C158 Fe13 C152 C153 -66.1(3) . . . . ?
C150 Fe13 C152 C151 -39.5(2) . . . . ?
C153 Fe13 C152 C151 -118.8(3) . . . . ?
C154 Fe13 C152 C151 -83.0(3) . . . . ?
C156 Fe13 C152 C151 92.4(4) . . . . ?
C155 Fe13 C152 C151 58.7(10) . . . . ?
C157 Fe13 C152 C151 134.7(3) . . . . ?
C159 Fe13 C152 C151 -152.6(8) . . . . ?
C158 Fe13 C152 C151 175.1(4) . . . . ?
C151 C152 C153 C154 -0.1(6) . . . . ?
Fe13 C152 C153 C154 -57.1(4) . . . . ?
C151 C152 C153 Fe13 57.1(4) . . . . ?
C152 C153 C154 C150 -1.6(6) . . . . ?
Fe13 C153 C154 C150 -54.5(4) . . . . ?
C152 C153 C154 Fe13 52.9(3) . . . . ?
C151 C150 C154 C153 2.5(6) . . . . ?
C134 C150 C154 C153 176.3(3) . . . . ?
Fe13 C150 C154 C153 54.8(4) . . . . ?
C151 C150 C154 Fe13 -52.3(4) . . . . ?
C134 C150 C154 Fe13 121.5(2) . . . . ?
C159 C155 C156 C157 0.6(6) . . . . ?
Fe13 C155 C156 C157 65.1(4) . . . . ?
C159 C155 C156 Fe13 -64.5(4) . . . . ?
C155 C156 C157 C158 -0.5(6) . . . . ?
Fe13 C156 C157 C158 64.5(4) . . . . ?
C155 C156 C157 Fe13 -65.1(4) . . . . ?
C156 C157 C158 C159 0.3(6) . . . . ?
Fe13 C157 C158 C159 60.3(4) . . . . ?
C156 C157 C158 Fe13 -60.0(4) . . . . ?
C156 C155 C159 C158 -0.5(6) . . . . ?
Fe13 C155 C159 C158 -60.5(4) . . . . ?
C156 C155 C159 Fe13 60.0(4) . . . . ?
C157 C158 C159 C155 0.1(6) . . . . ?
Fe13 C158 C159 C155 58.0(4) . . . . ?
C157 C158 C159 Fe13 -57.9(4) . . . . ?

_refine_diff_density_max         1.358
_refine_diff_density_min         -1.386
_refine_diff_density_rms         0.184
_shelxl_version_number           2014/6

_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Bruker Apex2'
_diffrn_measurement_device       'κ-geometry diffractometer'

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_b15206
_database_code_depnum_ccdc_archive 'CCDC 1429848'
_audit_update_record             
;
2015-10-06 deposited with the CCDC.
2016-01-06 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C160 H184 Ag4 Fe12 O10 P4'
_chemical_formula_weight         3492.62
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.356(16)
_cell_length_b                   16.784(18)
_cell_length_c                   17.332(11)
_cell_angle_alpha                69.038(9)
_cell_angle_beta                 83.27(3)
_cell_angle_gamma                78.13(4)
_cell_volume                     3546(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    110
_cell_measurement_reflns_used    9399
_cell_measurement_theta_min      2.73
_cell_measurement_theta_max      40.42
_exptl_crystal_description       blick
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_F_000             1784
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.652
_exptl_crystal_size_mid          0.225
_exptl_crystal_size_min          0.165
_exptl_absorpt_coefficient_mu    1.828
_shelx_estimated_absorpt_T_min   0.382
_shelx_estimated_absorpt_T_max   0.752
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6123
_exptl_absorpt_correction_T_max  0.748
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      110
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            86384
_diffrn_reflns_av_unetI/netI     0.0179
_diffrn_reflns_av_R_equivalents  0.0204
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.260
_diffrn_reflns_theta_max         28.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             16968
_reflns_number_gt                15229
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       Apex2
_computing_cell_refinement       SAINT
_computing_data_reduction        SAINT
_computing_structure_solution    SHELXT
_computing_structure_refinement  SHELXL-2014
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0834P)²+4.8587P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         16968
_refine_ls_number_parameters     901
_refine_ls_number_restraints     70
_refine_ls_R_factor_all          0.0361
_refine_ls_R_factor_gt           0.0292
_refine_ls_wR_factor_ref         0.1185
_refine_ls_wR_factor_gt          0.0979
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.46676(2) 0.60867(2) 0.42219(2) 0.01626(6) Uani 1 1 d . . . . .
Ag2 Ag 0.47159(2) 0.59046(2) 0.25812(2) 0.02369(6) Uani 1 1 d . . . . .
Fe1 Fe 0.10640(3) 0.35934(2) 0.41238(2) 0.01328(8) Uani 1 1 d . . . . .
Fe2 Fe 0.11335(4) 0.98889(3) 0.26643(4) 0.03318(12) Uani 1 1 d . . . . .
Fe3 Fe 0.22803(3) 0.67733(2) 0.77695(2) 0.01554(8) Uani 1 1 d . . . . .
Fe4 Fe -0.01139(3) 0.73854(3) 0.07784(3) 0.02425(10) Uani 1 1 d . . . . .
Fe5 Fe 0.66783(3) 0.65047(2) -0.12796(2) 0.01373(8) Uani 1 1 d . . . . .
Fe6 Fe 0.61747(3) 0.95325(3) 0.21688(3) 0.02447(10) Uani 1 1 d . . . . .
P1 P 0.28844(5) 0.64900(4) 0.43708(4) 0.01265(12) Uani 1 1 d . . . . .
P2 P 0.44053(5) 0.70094(5) 0.12792(4) 0.01721(13) Uani 1 1 d . . . . .
O1 O 0.49995(16) 0.45565(13) 0.42894(13) 0.0225(4) Uani 1 1 d . . . . .
O2 O 0.44397(17) 0.45516(15) 0.31370(13) 0.0289(5) Uani 1 1 d . . . . .
O3 O 0.62445(16) 0.63316(15) 0.39112(14) 0.0269(4) Uani 1 1 d . . . . .
O4 O 0.63963(17) 0.61100(18) 0.27044(15) 0.0338(5) Uani 1 1 d . . . . .
C1 C 0.46737(19) 0.41879(18) 0.38829(17) 0.0183(5) Uani 1 1 d . . . . .
C2 C 0.4552(2) 0.32507(19) 0.43064(19) 0.0243(6) Uani 1 1 d . . . . .
H2A H 0.4292 0.3048 0.3917 0.036 Uiso 1 1 calc R U . . .
H2B H 0.5217 0.2895 0.4492 0.036 Uiso 1 1 calc R U . . .
H2C H 0.4067 0.3202 0.4785 0.036 Uiso 1 1 calc R U . . .
C3 C 0.6736(2) 0.62572(17) 0.32693(17) 0.0189(5) Uani 1 1 d . . . . .
C4 C 0.7849(2) 0.6373(2) 0.31743(19) 0.0250(6) Uani 1 1 d . . . . .
H4A H 0.8022 0.6484 0.3656 0.038 Uiso 1 1 calc R U . . .
H4B H 0.8293 0.5844 0.3134 0.038 Uiso 1 1 calc R U . . .
H4C H 0.7950 0.6864 0.2672 0.038 Uiso 1 1 calc R U . . .
C5 C 0.20935(19) 0.60550(16) 0.38719(16) 0.0149(5) Uani 1 1 d . . . . .
H5A H 0.1382 0.6375 0.3864 0.018 Uiso 1 1 calc R U . . .
H5B H 0.2351 0.6161 0.3291 0.018 Uiso 1 1 calc R U . . .
C6 C 0.20853(19) 0.50811(16) 0.43000(16) 0.0151(5) Uani 1 1 d . . . . .
H6A H 0.2794 0.4753 0.4319 0.018 Uiso 1 1 calc R U . . .
H6B H 0.1800 0.4969 0.4875 0.018 Uiso 1 1 calc R U . . .
C7 C 0.14472(19) 0.47851(16) 0.38341(16) 0.0140(5) Uani 1 1 d . . . . .
C8 C 0.03563(19) 0.48526(16) 0.39275(16) 0.0152(5) Uani 1 1 d . . . . .
H8 H -0.0099 0.5067 0.4339 0.018 Uiso 1 1 calc R U . . .
C9 C 0.00328(19) 0.45420(16) 0.33492(16) 0.0153(5) Uani 1 1 d . . . . .
H9 H -0.0687 0.4503 0.3281 0.018 Uiso 1 1 calc R U . . .
C10 C 0.0921(2) 0.42910(17) 0.28913(16) 0.0164(5) Uani 1 1 d . . . . .
H10 H 0.0932 0.4044 0.2444 0.020 Uiso 1 1 calc R U . . .
C11 C 0.17941(19) 0.44452(16) 0.31840(16) 0.0151(5) Uani 1 1 d . . . . .
H11 H 0.2520 0.4329 0.2975 0.018 Uiso 1 1 calc R U . . .
C12 C 0.0789(2) 0.28767(19) 0.53372(18) 0.0252(6) Uani 1 1 d . . . . .
H12 H 0.0411 0.3102 0.5771 0.030 Uiso 1 1 calc R U . . .
C13 C 0.1870(2) 0.27996(19) 0.51361(18) 0.0237(6) Uani 1 1 d . . . . .
H13 H 0.2380 0.2964 0.5404 0.028 Uiso 1 1 calc R U . . .
C14 C 0.2085(2) 0.24507(17) 0.44937(18) 0.0215(5) Uani 1 1 d . . . . .
H14 H 0.2776 0.2331 0.4224 0.026 Uiso 1 1 calc R U . . .
C15 C 0.1151(2) 0.23087(17) 0.42830(19) 0.0221(6) Uani 1 1 d . . . . .
H15 H 0.1072 0.2068 0.3847 0.026 Uiso 1 1 calc R U . . .
C16 C 0.0356(2) 0.25703(17) 0.48076(18) 0.0226(6) Uani 1 1 d . . . . .
H16 H -0.0386 0.2550 0.4801 0.027 Uiso 1 1 calc R U . . .
C17 C 0.2382(2) 0.76525(16) 0.39520(17) 0.0175(5) Uani 1 1 d . . . . .
H17A H 0.1645 0.7761 0.4115 0.021 Uiso 1 1 calc R U . . .
H17B H 0.2743 0.7966 0.4187 0.021 Uiso 1 1 calc R U . . .
C18 C 0.2522(2) 0.79946(17) 0.30070(18) 0.0213(5) Uani 1 1 d . . . . .
H18A H 0.3213 0.7738 0.2844 0.026 Uiso 1 1 calc R U . . .
H18B H 0.2014 0.7804 0.2770 0.026 Uiso 1 1 calc R U . . .
C19 C 0.2401(2) 0.89654(18) 0.2648(2) 0.0263(6) Uani 1 1 d . . . . .
C20 C 0.2113(3) 0.9493(2) 0.1827(2) 0.0385(8) Uani 1 1 d . . . . .
H20 H 0.1927 0.9288 0.1396 0.046 Uiso 1 1 calc R U . . .
C21 C 0.2156(3) 1.0370(2) 0.1736(3) 0.0475(10) Uani 1 1 d . . . . .
H21 H 0.1990 1.0886 0.1226 0.057 Uiso 1 1 calc R U . . .
C22 C 0.2461(3) 1.0389(2) 0.2478(3) 0.0434(9) Uani 1 1 d . . . . .
H22 H 0.2549 1.0915 0.2589 0.052 Uiso 1 1 calc R U . . .
C23 C 0.2615(2) 0.95211(19) 0.3042(2) 0.0318(7) Uani 1 1 d . . . . .
H23 H 0.2821 0.9334 0.3626 0.038 Uiso 1 1 calc R U . . .
C29 C 0.2348(2) 0.61628(16) 0.54406(16) 0.0154(5) Uani 1 1 d . . . . .
H29A H 0.1593 0.6249 0.5429 0.018 Uiso 1 1 calc R U . . .
H29B H 0.2599 0.5536 0.5717 0.018 Uiso 1 1 calc R U . . .
C30 C 0.2616(2) 0.66605(19) 0.59586(18) 0.0213(5) Uani 1 1 d . . . . .
H30A H 0.3357 0.6493 0.6060 0.026 Uiso 1 1 calc R U . . .
H30B H 0.2473 0.7290 0.5643 0.026 Uiso 1 1 calc R U . . .
C31 C 0.20184(19) 0.64809(16) 0.67707(16) 0.0149(5) Uani 1 1 d . . . . .
C32 C 0.1152(2) 0.7047(2) 0.69664(18) 0.0213(5) Uani 1 1 d . . . . .
H32 H 0.0854 0.7637 0.6590 0.026 Uiso 1 1 calc R U . . .
C33 C 0.0791(2) 0.6629(3) 0.7793(2) 0.0343(8) Uani 1 1 d . . . . .
H33 H 0.0198 0.6874 0.8097 0.041 Uiso 1 1 calc R U . . .
C34 C 0.1427(3) 0.5811(2) 0.8107(2) 0.0364(8) Uani 1 1 d . . . . .
H34 H 0.1361 0.5377 0.8675 0.044 Uiso 1 1 calc R U . . .
C35 C 0.2185(2) 0.57128(19) 0.74810(19) 0.0251(6) Uani 1 1 d . . . . .
H35 H 0.2740 0.5199 0.7532 0.030 Uiso 1 1 calc R U . . .
C36 C 0.3779(2) 0.66400(18) 0.79971(17) 0.0198(5) Uani 1 1 d . . . . .
H36 H 0.4352 0.6188 0.7910 0.024 Uiso 1 1 calc R U . . .
C37 C 0.3441(2) 0.74688(18) 0.74027(18) 0.0203(5) Uani 1 1 d . . . . .
H37 H 0.3733 0.7700 0.6825 0.024 Uiso 1 1 calc R U . . .
C38 C 0.2611(2) 0.79083(18) 0.77720(19) 0.0226(6) Uani 1 1 d . . . . .
H38 H 0.2215 0.8502 0.7498 0.027 Uiso 1 1 calc R U . . .
C39 C 0.2435(2) 0.73576(19) 0.85965(19) 0.0228(6) Uani 1 1 d . . . . .
H39 H 0.1893 0.7494 0.9002 0.027 Uiso 1 1 calc R U . . .
C40 C 0.3157(2) 0.65685(18) 0.87400(17) 0.0208(5) Uani 1 1 d . . . . .
H40 H 0.3214 0.6057 0.9264 0.025 Uiso 1 1 calc R U . . .
C41 C 0.3112(2) 0.76041(18) 0.09955(18) 0.0211(5) Uani 1 1 d . . . . .
H41A H 0.2875 0.7965 0.1348 0.025 Uiso 1 1 calc R U . . .
H41B H 0.3146 0.8000 0.0415 0.025 Uiso 1 1 calc R U . . .
C42 C 0.2318(2) 0.7031(2) 0.1082(2) 0.0251(6) Uani 1 1 d . . . . .
H42A H 0.2413 0.6818 0.0610 0.030 Uiso 1 1 calc R U . . .
H42B H 0.2420 0.6522 0.1597 0.030 Uiso 1 1 calc R U . . .
C43 C 0.1250(2) 0.7535(2) 0.1102(2) 0.0265(6) Uani 1 1 d . . . . .
C44 C 0.0805(2) 0.8302(2) 0.0464(2) 0.0332(7) Uani 1 1 d . . . . .
H44 H 0.1127 0.8565 -0.0097 0.040 Uiso 1 1 calc R U . . .
C45 C -0.0184(3) 0.8618(3) 0.0761(3) 0.0433(9) Uani 1 1 d . . . . .
H45 H -0.0671 0.9142 0.0446 0.052 Uiso 1 1 calc R U . . .
C46 C -0.0356(3) 0.8058(3) 0.1579(3) 0.0452(10) Uani 1 1 d . . . . .
H46 H -0.0986 0.8119 0.1942 0.054 Uiso 1 1 calc R U . . .
C47 C 0.0520(3) 0.7395(3) 0.1794(2) 0.0377(8) Uani 1 1 d . . . . .
H47 H 0.0608 0.6904 0.2333 0.045 Uiso 1 1 calc R U . . .
C48 C 0.0209(3) 0.6465(3) 0.0229(2) 0.0362(8) Uani 1 1 d . . . . .
H48 H 0.0907 0.6189 0.0084 0.043 Uiso 1 1 calc R U . . .
C49 C -0.0390(3) 0.7226(3) -0.0287(2) 0.0348(7) Uani 1 1 d . . . . .
H49 H -0.0191 0.7584 -0.0862 0.042 Uiso 1 1 calc R U . . .
C50 C -0.1335(2) 0.7389(2) 0.0161(2) 0.0327(7) Uani 1 1 d . . . . .
H50 H -0.1910 0.7886 -0.0045 0.039 Uiso 1 1 calc R U . . .
C51 C -0.1312(3) 0.6732(2) 0.0945(2) 0.0340(7) Uani 1 1 d . . . . .
H51 H -0.1865 0.6682 0.1393 0.041 Uiso 1 1 calc R U . . .
C52 C -0.0360(3) 0.6164(2) 0.0991(2) 0.0396(8) Uani 1 1 d . . . . .
H52 H -0.0127 0.5638 0.1476 0.048 Uiso 1 1 calc R U . . .
C53 C 0.4850(2) 0.65551(18) 0.04625(17) 0.0186(5) Uani 1 1 d . . . . .
H53A H 0.4355 0.6205 0.0427 0.022 Uiso 1 1 calc R U . . .
H53B H 0.4875 0.7033 -0.0074 0.022 Uiso 1 1 calc R U . . .
C54 C 0.5916(2) 0.59832(18) 0.06166(17) 0.0191(5) Uani 1 1 d . . . . .
H54A H 0.6384 0.6306 0.0738 0.023 Uiso 1 1 calc R U . . .
H54B H 0.5866 0.5459 0.1109 0.023 Uiso 1 1 calc R U . . .
C55 C 0.6361(2) 0.57124(16) -0.01044(16) 0.0164(5) Uani 1 1 d . . . . .
C56 C 0.7427(2) 0.55255(17) -0.03296(17) 0.0199(5) Uani 1 1 d . . . . .
H56 H 0.8009 0.5564 -0.0039 0.024 Uiso 1 1 calc R U . . .
C57 C 0.7512(2) 0.52782(17) -0.10471(18) 0.0208(5) Uani 1 1 d . . . . .
H57 H 0.8165 0.5118 -0.1347 0.025 Uiso 1 1 calc R U . . .
C58 C 0.6504(2) 0.53142(17) -0.12703(17) 0.0208(5) Uani 1 1 d . . . . .
H58 H 0.6326 0.5181 -0.1750 0.025 Uiso 1 1 calc R U . . .
C59 C 0.5799(2) 0.55759(17) -0.06876(16) 0.0179(5) Uani 1 1 d . . . . .
H59 H 0.5035 0.5662 -0.0691 0.021 Uiso 1 1 calc R U . . .
C60 C 0.6490(2) 0.77310(17) -0.12442(17) 0.0211(5) Uani 1 1 d . . . . .
H60 H 0.6377 0.7893 -0.0735 0.025 Uiso 1 1 calc R U . . .
C61 C 0.7460(2) 0.75092(17) -0.16300(18) 0.0211(5) Uani 1 1 d . . . . .
H61 H 0.8145 0.7492 -0.1440 0.025 Uiso 1 1 calc R U . . .
C62 C 0.7278(2) 0.73252(17) -0.23347(17) 0.0210(5) Uani 1 1 d . . . . .
H62 H 0.7815 0.7149 -0.2724 0.025 Uiso 1 1 calc R U . . .
C63 C 0.6201(2) 0.74259(18) -0.23862(17) 0.0219(5) Uani 1 1 d . . . . .
H63 H 0.5849 0.7330 -0.2816 0.026 Uiso 1 1 calc R U . . .
C64 C 0.5712(2) 0.76776(17) -0.17124(17) 0.0210(5) Uani 1 1 d . . . . .
H64 H 0.4957 0.7790 -0.1586 0.025 Uiso 1 1 calc R U . . .
C65 C 0.5154(2) 0.78820(19) 0.10160(18) 0.0215(5) Uani 1 1 d . . . . .
H65A H 0.5885 0.7640 0.0944 0.026 Uiso 1 1 calc R U . . .
H65B H 0.4935 0.8324 0.0480 0.026 Uiso 1 1 calc R U . . .
C66 C 0.5048(2) 0.8322(2) 0.16586(19) 0.0250(6) Uani 1 1 d . . . . .
H66A H 0.4319 0.8570 0.1732 0.030 Uiso 1 1 calc R U . . .
H66B H 0.5273 0.7886 0.2196 0.030 Uiso 1 1 calc R U . . .
C67 C 0.5677(2) 0.90315(19) 0.14058(18) 0.0220(5) Uani 1 1 d . . . . .
C68 C 0.5289(2) 0.9939(2) 0.1174(2) 0.0284(6) Uani 1 1 d . . . . .
H68 H 0.4549 1.0214 0.1159 0.034 Uiso 1 1 calc R U . . .
C69 C 0.6132(3) 1.0386(2) 0.0993(2) 0.0327(7) Uani 1 1 d . . . . .
H69 H 0.6090 1.1027 0.0823 0.039 Uiso 1 1 calc R U . . .
C70 C 0.7044(3) 0.9758(2) 0.1090(2) 0.0357(8) Uani 1 1 d . . . . .
H70 H 0.7758 0.9880 0.1006 0.043 Uiso 1 1 calc R U . . .
C71 C 0.6766(2) 0.8923(2) 0.1344(2) 0.0291(6) Uani 1 1 d . . . . .
H71 H 0.7252 0.8358 0.1469 0.035 Uiso 1 1 calc R U . . .
C24 C -0.0091(12) 0.9251(5) 0.3127(7) 0.060(2) Uani 0.6 1 d D U P A 1
H24 H -0.0060 0.8609 0.3325 0.072 Uiso 0.6 1 calc R U P A 1
C25 C -0.0288(7) 0.9834(5) 0.2307(5) 0.0597(19) Uani 0.6 1 d D U P A 1
H25B H -0.0405 0.9672 0.1828 0.072 Uiso 0.6 1 calc R U P A 1
C26 C -0.0242(6) 1.0681(4) 0.2282(6) 0.0626(18) Uani 0.6 1 d D U P A 1
H26 H -0.0339 1.1221 0.1784 0.075 Uiso 0.6 1 calc R U P A 1
C27 C 0.0003(7) 1.0625(6) 0.3084(7) 0.079(2) Uani 0.6 1 d D U P A 1
H27 H 0.0068 1.1120 0.3256 0.094 Uiso 0.6 1 calc R U P A 1
C28 C 0.0114(9) 0.9731(7) 0.3601(5) 0.074(2) Uani 0.6 1 d D U P A 1
H28 H 0.0269 0.9492 0.4200 0.088 Uiso 0.6 1 calc R U P A 1
C72 C 0.5925(7) 0.8773(5) 0.3359(5) 0.062(2) Uani 0.6 1 d D U P B 1
H72 H 0.5658 0.8216 0.3549 0.074 Uiso 0.6 1 calc R U P B 1
C73 C 0.6975(6) 0.8871(3) 0.3235(4) 0.0420(15) Uani 0.6 1 d D U P B 1
H73 H 0.7578 0.8391 0.3298 0.050 Uiso 0.6 1 calc R U P B 1
C74 C 0.7019(4) 0.9761(3) 0.2985(3) 0.0276(10) Uani 0.6 1 d D U P B 1
H74B H 0.7658 1.0017 0.2835 0.033 Uiso 0.6 1 calc R U P B 1
C75 C 0.5998(6) 1.0239(5) 0.2935(15) 0.040(3) Uani 0.6 1 d D U P B 1
H75 H 0.5793 1.0883 0.2773 0.048 Uiso 0.6 1 calc R U P B 1
C76 C 0.5328(4) 0.9627(6) 0.3176(5) 0.0577(19) Uani 0.6 1 d D U P B 1
H76 H 0.4563 0.9768 0.3218 0.069 Uiso 0.6 1 calc R U P B 1
C24A C -0.011(2) 0.9341(9) 0.3149(9) 0.040(3) Uiso 0.4 1 d . . P A 2
H24A H -0.0148 0.8738 0.3194 0.048 Uiso 0.4 1 calc R U P A 2
C25A C -0.0328(11) 1.0033(8) 0.2457(7) 0.035(2) Uiso 0.4 1 d . . P A 2
H25A H -0.0612 1.0039 0.1946 0.042 Uiso 0.4 1 calc R U P A 2
C26A C -0.0149(8) 1.0790(6) 0.2627(6) 0.0247(18) Uiso 0.4 1 d . . P A 2
H26A H -0.0276 1.1413 0.2265 0.030 Uiso 0.4 1 calc R U P A 2
C27A C 0.0126(7) 1.0433(6) 0.3465(5) 0.0237(16) Uiso 0.4 1 d . . P A 2
H27A H 0.0336 1.0772 0.3771 0.028 Uiso 0.4 1 calc R U P A 2
C28A C 0.0158(12) 0.9538(7) 0.3786(7) 0.031(2) Uiso 0.4 1 d . . P A 2
H28A H 0.0358 0.9130 0.4349 0.037 Uiso 0.4 1 calc R U P A 2
C72A C 0.5282(7) 0.9040(6) 0.3278(6) 0.0284(18) Uiso 0.4 1 d . . P B 2
H72A H 0.4736 0.8686 0.3360 0.034 Uiso 0.4 1 calc R U P B 2
C73A C 0.6334(9) 0.8728(7) 0.3365(9) 0.031(2) Uiso 0.4 1 d . . P B 2
H73A H 0.6654 0.8101 0.3536 0.037 Uiso 0.4 1 calc R U P B 2
C74A C 0.6861(9) 0.9382(9) 0.3181(7) 0.044(3) Uiso 0.4 1 d . . P B 2
H74A H 0.7614 0.9319 0.3228 0.053 Uiso 0.4 1 calc R U P B 2
C75A C 0.6134(11) 1.0196(8) 0.295(2) 0.034(4) Uani 0.4 1 d . . P B 2
H75A H 0.6282 1.0794 0.2807 0.040 Uiso 0.4 1 calc R U P B 2
C76A C 0.5151(8) 0.9950(6) 0.3003(8) 0.029(2) Uiso 0.4 1 d . . P B 2
H76A H 0.4485 1.0358 0.2864 0.034 Uiso 0.4 1 calc R U P B 2
O1S O 0.3244(2) -0.12599(15) 0.51424(17) 0.0378(6) Uani 1 1 d . . . . .
C1S C 0.2290(3) -0.0836(2) 0.5388(3) 0.0425(9) Uani 1 1 d . . . . .
H1SA H 0.2215 -0.1010 0.5998 0.051 Uiso 1 1 calc R U . . .
H1SB H 0.1715 -0.0987 0.5189 0.051 Uiso 1 1 calc R U . . .
C2S C 0.2303(3) 0.0130(2) 0.4999(3) 0.0439(9) Uani 1 1 d . . . . .
H2SA H 0.1957 0.0442 0.5373 0.053 Uiso 1 1 calc R U . . .
H2SB H 0.1961 0.0379 0.4466 0.053 Uiso 1 1 calc R U . . .
C3S C 0.3441(3) 0.0184(2) 0.4868(3) 0.0432(9) Uani 1 1 d . . . . .
H3SA H 0.3626 0.0507 0.5193 0.052 Uiso 1 1 calc R U . . .
H3SB H 0.3622 0.0474 0.4276 0.052 Uiso 1 1 calc R U . . .
C4S C 0.3983(3) -0.0763(2) 0.5172(2) 0.0369(8) Uani 1 1 d . . . . .
H4SA H 0.4593 -0.0852 0.4808 0.044 Uiso 1 1 calc R U . . .
H4SB H 0.4202 -0.0933 0.5743 0.044 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 O3 2.197(3) . ?
Ag1 P1 2.348(3) . ?
Ag1 O1 2.470(3) 2_666 ?
Ag1 O1 2.477(3) . ?
Ag1 Ag2 2.9589(18) . ?
Ag2 O2 2.217(3) . ?
Ag2 P2 2.3689(15) . ?
Ag2 O4 2.384(4) . ?
Fe1 C7 2.039(3) . ?
Fe1 C11 2.045(3) . ?
Fe1 C10 2.046(3) . ?
Fe1 C13 2.047(3) . ?
Fe1 C12 2.048(3) . ?
Fe1 C16 2.048(3) . ?
Fe1 C14 2.049(3) . ?
Fe1 C8 2.053(3) . ?
Fe1 C15 2.054(4) . ?
Fe1 C9 2.058(3) . ?
Fe2 C28 1.970(10) . ?
Fe2 C25A 1.976(15) . ?
Fe2 C27 1.989(8) . ?
Fe2 C24A 2.01(3) . ?
Fe2 C26A 2.028(10) . ?
Fe2 C21 2.028(4) . ?
Fe2 C20 2.036(4) . ?
Fe2 C19 2.052(3) . ?
Fe2 C26 2.058(7) . ?
Fe2 C22 2.058(4) . ?
Fe2 C23 2.059(4) . ?
Fe2 C24 2.065(14) . ?
Fe3 C37 2.037(3) . ?
Fe3 C36 2.038(4) . ?
Fe3 C32 2.042(3) . ?
Fe3 C38 2.043(3) . ?
Fe3 C34 2.043(4) . ?
Fe3 C35 2.044(3) . ?
Fe3 C31 2.045(3) . ?
Fe3 C33 2.046(4) . ?
Fe3 C40 2.050(3) . ?
Fe3 C39 2.054(3) . ?
Fe4 C52 2.039(4) . ?
Fe4 C48 2.039(4) . ?
Fe4 C45 2.040(4) . ?
Fe4 C49 2.042(4) . ?
Fe4 C46 2.043(4) . ?
Fe4 C47 2.046(4) . ?
Fe4 C44 2.047(4) . ?
Fe4 C50 2.051(4) . ?
Fe4 C43 2.055(4) . ?
Fe4 C51 2.057(4) . ?
Fe5 C61 2.036(3) . ?
Fe5 C60 2.044(3) . ?
Fe5 C56 2.046(3) . ?
Fe5 C55 2.046(3) . ?
Fe5 C59 2.047(3) . ?
Fe5 C62 2.047(3) . ?
Fe5 C57 2.051(3) . ?
Fe5 C58 2.053(3) . ?
Fe5 C64 2.056(3) . ?
Fe5 C63 2.058(3) . ?
Fe6 C74A 1.986(12) . ?
Fe6 C76 2.004(7) . ?
Fe6 C75A 2.03(3) . ?
Fe6 C69 2.027(3) . ?
Fe6 C72 2.030(7) . ?
Fe6 C67 2.032(3) . ?
Fe6 C68 2.036(4) . ?
Fe6 C73A 2.037(14) . ?
Fe6 C70 2.038(4) . ?
Fe6 C75 2.04(2) . ?
Fe6 C71 2.041(3) . ?
Fe6 C73 2.073(5) . ?
P1 C17 1.829(3) . ?
P1 C29 1.837(3) . ?
P1 C5 1.838(3) . ?
P2 C53 1.824(3) . ?
P2 C41 1.833(3) . ?
P2 C65 1.836(3) . ?
O1 C1 1.250(3) . ?
O1 Ag1 2.470(3) 2_666 ?
O2 C1 1.262(4) . ?
O3 C3 1.257(4) . ?
O4 C3 1.245(4) . ?
C1 C2 1.514(4) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.520(4) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.536(4) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.499(3) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C11 1.428(4) . ?
C7 C8 1.432(4) . ?
C8 C9 1.425(4) . ?
C8 H8 1.0000 . ?
C9 C10 1.423(4) . ?
C9 H9 1.0000 . ?
C10 C11 1.429(4) . ?
C10 H10 1.0000 . ?
C11 H11 1.0000 . ?
C12 C16 1.423(5) . ?
C12 C13 1.434(4) . ?
C12 H12 1.0000 . ?
C13 C14 1.410(5) . ?
C13 H13 1.0000 . ?
C14 C15 1.427(4) . ?
C14 H14 1.0000 . ?
C15 C16 1.419(4) . ?
C15 H15 1.0000 . ?
C16 H16 1.0000 . ?
C17 C18 1.532(4) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.503(4) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C23 1.424(5) . ?
C19 C20 1.429(5) . ?
C20 C21 1.435(6) . ?
C20 H20 1.0000 . ?
C21 C22 1.408(7) . ?
C21 H21 1.0000 . ?
C22 C23 1.423(5) . ?
C22 H22 1.0000 . ?
C23 H23 1.0000 . ?
C29 C30 1.539(4) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.497(4) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C35 1.427(4) . ?
C31 C32 1.430(4) . ?
C32 C33 1.426(5) . ?
C32 H32 1.0000 . ?
C33 C34 1.414(6) . ?
C33 H33 1.0000 . ?
C34 C35 1.425(5) . ?
C34 H34 1.0000 . ?
C35 H35 1.0000 . ?
C36 C37 1.423(4) . ?
C36 C40 1.429(4) . ?
C36 H36 1.0000 . ?
C37 C38 1.421(4) . ?
C37 H37 1.0000 . ?
C38 C39 1.420(4) . ?
C38 H38 1.0000 . ?
C39 C40 1.429(4) . ?
C39 H39 1.0000 . ?
C40 H40 1.0000 . ?
C41 C42 1.534(4) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.506(4) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.433(5) . ?
C43 C47 1.436(5) . ?
C44 C45 1.427(5) . ?
C44 H44 1.0000 . ?
C45 C46 1.416(6) . ?
C45 H45 1.0000 . ?
C46 C47 1.420(6) . ?
C46 H46 1.0000 . ?
C47 H47 1.0000 . ?
C48 C49 1.414(5) . ?
C48 C52 1.422(6) . ?
C48 H48 1.0000 . ?
C49 C50 1.432(5) . ?
C49 H49 1.0000 . ?
C50 C51 1.410(5) . ?
C50 H50 1.0000 . ?
C51 C52 1.416(6) . ?
C51 H51 1.0000 . ?
C52 H52 1.0000 . ?
C53 C54 1.538(4) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C55 1.498(4) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.432(4) . ?
C55 C59 1.433(4) . ?
C56 C57 1.431(4) . ?
C56 H56 1.0000 . ?
C57 C58 1.427(4) . ?
C57 H57 1.0000 . ?
C58 C59 1.423(4) . ?
C58 H58 1.0000 . ?
C59 H59 1.0000 . ?
C60 C64 1.427(4) . ?
C60 C61 1.428(4) . ?
C60 H60 1.0000 . ?
C61 C62 1.420(4) . ?
C61 H61 1.0000 . ?
C62 C63 1.424(4) . ?
C62 H62 1.0000 . ?
C63 C64 1.424(4) . ?
C63 H63 1.0000 . ?
C64 H64 1.0000 . ?
C65 C66 1.522(4) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 C67 1.505(4) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 C71 1.425(4) . ?
C67 C68 1.428(4) . ?
C68 C69 1.423(5) . ?
C68 H68 1.0000 . ?
C69 C70 1.419(5) . ?
C69 H69 1.0000 . ?
C70 C71 1.425(5) . ?
C70 H70 1.0000 . ?
C71 H71 1.0000 . ?
C24 C28 1.420(7) . ?
C24 C25 1.426(7) . ?
C24 H24 1.0000 . ?
C25 C26 1.420(6) . ?
C25 H25B 1.0000 . ?
C26 C27 1.431(7) . ?
C26 H26 1.0000 . ?
C27 C28 1.433(7) . ?
C27 H27 1.0000 . ?
C28 H28 1.0000 . ?
C72 C73 1.428(7) . ?
C72 C76 1.433(7) . ?
C72 H72 1.0000 . ?
C73 C74 1.411(5) . ?
C73 H73 1.0000 . ?
C74 C75 1.428(7) . ?
C74 H74B 1.0000 . ?
C75 C76 1.420(7) . ?
C75 H75 1.0000 . ?
C76 H76 1.0000 . ?
C24A C25A 1.349(16) . ?
C24A C28A 1.362(15) . ?
C24A H24A 1.0000 . ?
C25A C26A 1.472(14) . ?
C25A H25A 1.0000 . ?
C26A C27A 1.420(12) . ?
C26A H26A 1.0000 . ?
C27A C28A 1.396(12) . ?
C27A H27A 1.0000 . ?
C28A H28A 1.0000 . ?
C72A C73A 1.400(13) . ?
C72A C76A 1.407(12) . ?
C72A H72A 1.0000 . ?
C73A C74A 1.348(17) . ?
C73A H73A 1.0000 . ?
C74A C75A 1.457(19) . ?
C74A H74A 1.0000 . ?
C75A C76A 1.439(15) . ?
C75A H75A 1.0000 . ?
C76A H76A 1.0000 . ?
O1S C1S 1.424(5) . ?
O1S C4S 1.432(5) . ?
C1S C2S 1.521(5) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C2S C3S 1.527(6) . ?
C2S H2SA 0.9900 . ?
C2S H2SB 0.9900 . ?
C3S C4S 1.531(6) . ?
C3S H3SA 0.9900 . ?
C3S H3SB 0.9900 . ?
C4S H4SA 0.9900 . ?
C4S H4SB 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 Ag1 P1 154.67(8) . . ?
O3 Ag1 O1 91.38(9) . 2_666 ?
P1 Ag1 O1 97.08(7) . 2_666 ?
O3 Ag1 O1 97.89(9) . . ?
P1 Ag1 O1 106.71(7) . . ?
O1 Ag1 O1 83.79(7) 2_666 . ?
O3 Ag1 Ag2 86.92(6) . . ?
P1 Ag1 Ag2 97.08(3) . . ?
O1 Ag1 Ag2 150.08(6) 2_666 . ?
O1 Ag1 Ag2 66.93(5) . . ?
O2 Ag2 P2 134.10(6) . . ?
O2 Ag2 O4 115.67(10) . . ?
P2 Ag2 O4 96.99(8) . . ?
O2 Ag2 Ag1 92.26(7) . . ?
P2 Ag2 Ag1 128.42(6) . . ?
O4 Ag2 Ag1 75.00(6) . . ?
C7 Fe1 C11 40.93(10) . . ?
C7 Fe1 C10 68.84(11) . . ?
C11 Fe1 C10 40.89(11) . . ?
C7 Fe1 C13 106.08(12) . . ?
C11 Fe1 C13 118.46(13) . . ?
C10 Fe1 C13 153.80(12) . . ?
C7 Fe1 C12 119.54(12) . . ?
C11 Fe1 C12 154.01(12) . . ?
C10 Fe1 C12 163.96(12) . . ?
C13 Fe1 C12 41.00(13) . . ?
C7 Fe1 C16 155.49(12) . . ?
C11 Fe1 C16 163.02(12) . . ?
C10 Fe1 C16 126.67(12) . . ?
C13 Fe1 C16 68.43(13) . . ?
C12 Fe1 C16 40.67(13) . . ?
C7 Fe1 C14 124.07(13) . . ?
C11 Fe1 C14 106.39(13) . . ?
C10 Fe1 C14 119.97(12) . . ?
C13 Fe1 C14 40.27(13) . . ?
C12 Fe1 C14 68.29(13) . . ?
C16 Fe1 C14 68.06(14) . . ?
C7 Fe1 C8 40.98(11) . . ?
C11 Fe1 C8 68.55(12) . . ?
C10 Fe1 C8 68.22(11) . . ?
C13 Fe1 C8 125.68(12) . . ?
C12 Fe1 C8 108.28(12) . . ?
C16 Fe1 C8 121.62(13) . . ?
C14 Fe1 C8 162.08(11) . . ?
C7 Fe1 C15 161.75(11) . . ?
C11 Fe1 C15 125.01(12) . . ?
C10 Fe1 C15 107.95(12) . . ?
C13 Fe1 C15 68.42(13) . . ?
C12 Fe1 C15 68.51(13) . . ?
C16 Fe1 C15 40.47(12) . . ?
C14 Fe1 C15 40.71(12) . . ?
C8 Fe1 C15 156.11(11) . . ?
C7 Fe1 C9 68.93(12) . . ?
C11 Fe1 C9 68.70(12) . . ?
C10 Fe1 C9 40.59(11) . . ?
C13 Fe1 C9 163.60(12) . . ?
C12 Fe1 C9 126.70(12) . . ?
C16 Fe1 C9 109.24(13) . . ?
C14 Fe1 C9 155.38(12) . . ?
C8 Fe1 C9 40.57(10) . . ?
C15 Fe1 C9 121.11(12) . . ?
C28 Fe2 C27 42.4(2) . . ?
C25A Fe2 C24A 39.6(5) . . ?
C25A Fe2 C26A 43.1(4) . . ?
C24A Fe2 C26A 68.1(6) . . ?
C28 Fe2 C21 164.3(4) . . ?
C25A Fe2 C21 121.2(4) . . ?
C27 Fe2 C21 123.7(3) . . ?
C24A Fe2 C21 154.1(4) . . ?
C26A Fe2 C21 110.6(3) . . ?
C28 Fe2 C20 154.3(4) . . ?
C25A Fe2 C20 113.8(3) . . ?
C27 Fe2 C20 158.2(4) . . ?
C24A Fe2 C20 121.0(5) . . ?
C26A Fe2 C20 136.6(3) . . ?
C21 Fe2 C20 41.34(17) . . ?
C28 Fe2 C19 122.4(3) . . ?
C25A Fe2 C19 134.3(3) . . ?
C27 Fe2 C19 160.5(3) . . ?
C24A Fe2 C19 111.0(6) . . ?
C26A Fe2 C19 176.8(3) . . ?
C21 Fe2 C19 68.70(14) . . ?
C20 Fe2 C19 40.93(13) . . ?
C28 Fe2 C26 69.9(3) . . ?
C27 Fe2 C26 41.4(2) . . ?
C21 Fe2 C26 104.1(3) . . ?
C20 Fe2 C26 119.1(3) . . ?
C19 Fe2 C26 156.7(3) . . ?
C28 Fe2 C22 129.6(3) . . ?
C25A Fe2 C22 150.1(4) . . ?
C27 Fe2 C22 110.0(3) . . ?
C24A Fe2 C22 165.5(4) . . ?
C26A Fe2 C22 113.0(3) . . ?
C21 Fe2 C22 40.30(19) . . ?
C20 Fe2 C22 68.98(19) . . ?
C19 Fe2 C22 68.66(16) . . ?
C26 Fe2 C22 121.0(2) . . ?
C28 Fe2 C23 112.5(3) . . ?
C25A Fe2 C23 169.4(4) . . ?
C27 Fe2 C23 125.9(3) . . ?
C24A Fe2 C23 130.0(5) . . ?
C26A Fe2 C23 142.4(3) . . ?
C21 Fe2 C23 67.75(17) . . ?
C20 Fe2 C23 68.41(17) . . ?
C19 Fe2 C23 40.54(14) . . ?
C26 Fe2 C23 159.0(3) . . ?
C22 Fe2 C23 40.45(14) . . ?
C28 Fe2 C24 41.1(3) . . ?
C27 Fe2 C24 69.4(4) . . ?
C21 Fe2 C24 151.3(4) . . ?
C20 Fe2 C24 116.7(4) . . ?
C19 Fe2 C24 107.2(3) . . ?
C26 Fe2 C24 67.9(3) . . ?
C22 Fe2 C24 166.8(3) . . ?
C23 Fe2 C24 128.5(3) . . ?
C37 Fe3 C36 40.89(12) . . ?
C37 Fe3 C32 118.04(13) . . ?
C36 Fe3 C32 150.77(12) . . ?
C37 Fe3 C38 40.74(12) . . ?
C36 Fe3 C38 68.70(12) . . ?
C32 Fe3 C38 109.08(13) . . ?
C37 Fe3 C34 164.38(15) . . ?
C36 Fe3 C34 126.77(15) . . ?
C32 Fe3 C34 68.40(14) . . ?
C38 Fe3 C34 153.76(15) . . ?
C37 Fe3 C35 125.87(13) . . ?
C36 Fe3 C35 105.53(13) . . ?
C32 Fe3 C35 68.62(12) . . ?
C38 Fe3 C35 164.72(13) . . ?
C34 Fe3 C35 40.80(15) . . ?
C37 Fe3 C31 106.09(12) . . ?
C36 Fe3 C31 115.79(11) . . ?
C32 Fe3 C31 40.96(11) . . ?
C38 Fe3 C31 127.59(11) . . ?
C34 Fe3 C31 68.73(12) . . ?
C35 Fe3 C31 40.86(11) . . ?
C37 Fe3 C33 153.07(15) . . ?
C36 Fe3 C33 165.67(14) . . ?
C32 Fe3 C33 40.83(13) . . ?
C38 Fe3 C33 120.31(14) . . ?
C34 Fe3 C33 40.45(17) . . ?
C35 Fe3 C33 68.53(14) . . ?
C31 Fe3 C33 68.87(11) . . ?
C37 Fe3 C40 68.73(12) . . ?
C36 Fe3 C40 40.92(12) . . ?
C32 Fe3 C40 167.60(12) . . ?
C38 Fe3 C40 68.57(12) . . ?
C34 Fe3 C40 107.97(13) . . ?
C35 Fe3 C40 116.98(12) . . ?
C31 Fe3 C40 150.16(11) . . ?
C33 Fe3 C40 128.90(13) . . ?
C37 Fe3 C39 68.44(12) . . ?
C36 Fe3 C39 68.63(12) . . ?
C32 Fe3 C39 129.73(12) . . ?
C38 Fe3 C39 40.56(12) . . ?
C34 Fe3 C39 119.73(14) . . ?
C35 Fe3 C39 152.13(12) . . ?
C31 Fe3 C39 166.69(11) . . ?
C33 Fe3 C39 110.13(12) . . ?
C40 Fe3 C39 40.75(12) . . ?
C52 Fe4 C48 40.80(17) . . ?
C52 Fe4 C45 165.63(17) . . ?
C48 Fe4 C45 151.91(17) . . ?
C52 Fe4 C49 68.34(16) . . ?
C48 Fe4 C49 40.55(15) . . ?
C45 Fe4 C49 118.00(17) . . ?
C52 Fe4 C46 128.20(18) . . ?
C48 Fe4 C46 166.31(18) . . ?
C45 Fe4 C46 40.58(19) . . ?
C49 Fe4 C46 151.96(17) . . ?
C52 Fe4 C47 108.72(16) . . ?
C48 Fe4 C47 128.29(16) . . ?
C45 Fe4 C47 68.37(18) . . ?
C49 Fe4 C47 165.81(15) . . ?
C46 Fe4 C47 40.65(16) . . ?
C52 Fe4 C44 152.55(15) . . ?
C48 Fe4 C44 118.15(16) . . ?
C45 Fe4 C44 40.87(15) . . ?
C49 Fe4 C44 107.38(16) . . ?
C46 Fe4 C44 68.51(17) . . ?
C47 Fe4 C44 68.44(16) . . ?
C52 Fe4 C50 67.91(15) . . ?
C48 Fe4 C50 68.35(15) . . ?
C45 Fe4 C50 107.68(16) . . ?
C49 Fe4 C50 40.96(14) . . ?
C46 Fe4 C50 118.27(16) . . ?
C47 Fe4 C50 152.19(14) . . ?
C44 Fe4 C50 127.64(15) . . ?
C52 Fe4 C43 118.71(14) . . ?
C48 Fe4 C43 107.56(14) . . ?
C45 Fe4 C43 69.00(14) . . ?
C49 Fe4 C43 127.11(14) . . ?
C46 Fe4 C43 68.98(14) . . ?
C47 Fe4 C43 41.00(13) . . ?
C44 Fe4 C43 40.89(14) . . ?
C50 Fe4 C43 165.58(13) . . ?
C52 Fe4 C51 40.45(15) . . ?
C48 Fe4 C51 68.38(16) . . ?
C45 Fe4 C51 127.54(16) . . ?
C49 Fe4 C51 68.35(14) . . ?
C46 Fe4 C51 108.26(16) . . ?
C47 Fe4 C51 119.09(15) . . ?
C44 Fe4 C51 165.36(14) . . ?
C50 Fe4 C51 40.15(13) . . ?
C43 Fe4 C51 152.74(14) . . ?
C61 Fe5 C60 40.97(12) . . ?
C61 Fe5 C56 107.51(13) . . ?
C60 Fe5 C56 116.85(13) . . ?
C61 Fe5 C55 127.85(12) . . ?
C60 Fe5 C55 106.79(12) . . ?
C56 Fe5 C55 40.96(11) . . ?
C61 Fe5 C59 166.59(11) . . ?
C60 Fe5 C59 128.16(12) . . ?
C56 Fe5 C59 68.65(13) . . ?
C55 Fe5 C59 40.99(11) . . ?
C61 Fe5 C62 40.70(12) . . ?
C60 Fe5 C62 68.51(12) . . ?
C56 Fe5 C62 128.98(13) . . ?
C55 Fe5 C62 166.81(12) . . ?
C59 Fe5 C62 151.44(12) . . ?
C61 Fe5 C57 117.82(14) . . ?
C60 Fe5 C57 150.97(13) . . ?
C56 Fe5 C57 40.89(12) . . ?
C55 Fe5 C57 68.84(11) . . ?
C59 Fe5 C57 68.30(14) . . ?
C62 Fe5 C57 108.89(12) . . ?
C61 Fe5 C58 151.39(12) . . ?
C60 Fe5 C58 166.68(12) . . ?
C56 Fe5 C58 68.84(13) . . ?
C55 Fe5 C58 69.00(12) . . ?
C59 Fe5 C58 40.63(11) . . ?
C62 Fe5 C58 118.36(12) . . ?
C57 Fe5 C58 40.69(13) . . ?
C61 Fe5 C64 68.66(14) . . ?
C60 Fe5 C64 40.72(12) . . ?
C56 Fe5 C64 150.34(12) . . ?
C55 Fe5 C64 116.80(12) . . ?
C59 Fe5 C64 107.92(14) . . ?
C62 Fe5 C64 68.29(13) . . ?
C57 Fe5 C64 167.40(12) . . ?
C58 Fe5 C64 128.79(13) . . ?
C61 Fe5 C63 68.51(13) . . ?
C60 Fe5 C63 68.40(13) . . ?
C56 Fe5 C63 167.64(12) . . ?
C55 Fe5 C63 150.64(12) . . ?
C59 Fe5 C63 117.93(13) . . ?
C62 Fe5 C63 40.58(13) . . ?
C57 Fe5 C63 129.53(12) . . ?
C58 Fe5 C63 108.68(13) . . ?
C64 Fe5 C63 40.51(12) . . ?
C74A Fe6 C75A 42.6(7) . . ?
C74A Fe6 C69 135.3(4) . . ?
C76 Fe6 C69 129.1(3) . . ?
C75A Fe6 C69 108.4(6) . . ?
C76 Fe6 C72 41.6(2) . . ?
C69 Fe6 C72 168.9(3) . . ?
C74A Fe6 C67 150.9(4) . . ?
C76 Fe6 C67 120.7(2) . . ?
C75A Fe6 C67 159.7(4) . . ?
C69 Fe6 C67 69.48(14) . . ?
C72 Fe6 C67 108.8(2) . . ?
C74A Fe6 C68 166.7(4) . . ?
C76 Fe6 C68 110.8(2) . . ?
C75A Fe6 C68 124.2(6) . . ?
C69 Fe6 C68 41.00(14) . . ?
C72 Fe6 C68 130.7(3) . . ?
C67 Fe6 C68 41.09(13) . . ?
C74A Fe6 C73A 39.1(5) . . ?
C75A Fe6 C73A 68.1(7) . . ?
C69 Fe6 C73A 174.3(4) . . ?
C67 Fe6 C73A 115.5(4) . . ?
C68 Fe6 C73A 144.6(4) . . ?
C74A Fe6 C70 117.3(4) . . ?
C76 Fe6 C70 165.4(3) . . ?
C75A Fe6 C70 123.4(4) . . ?
C69 Fe6 C70 40.86(16) . . ?
C72 Fe6 C70 149.7(3) . . ?
C67 Fe6 C70 69.09(14) . . ?
C68 Fe6 C70 68.58(16) . . ?
C73A Fe6 C70 136.8(4) . . ?
C76 Fe6 C75 41.1(3) . . ?
C69 Fe6 C75 107.0(5) . . ?
C72 Fe6 C75 69.6(4) . . ?
C67 Fe6 C75 154.6(3) . . ?
C68 Fe6 C75 119.8(4) . . ?
C70 Fe6 C75 125.6(4) . . ?
C74A Fe6 C71 124.0(4) . . ?
C76 Fe6 C71 153.4(3) . . ?
C75A Fe6 C71 158.7(4) . . ?
C69 Fe6 C71 69.02(16) . . ?
C72 Fe6 C71 117.3(3) . . ?
C67 Fe6 C71 40.95(13) . . ?
C68 Fe6 C71 68.63(15) . . ?
C73A Fe6 C71 112.5(3) . . ?
C70 Fe6 C71 40.91(14) . . ?
C75 Fe6 C71 163.2(3) . . ?
C76 Fe6 C73 68.6(2) . . ?
C69 Fe6 C73 148.9(2) . . ?
C72 Fe6 C73 40.7(2) . . ?
C67 Fe6 C73 128.01(19) . . ?
C68 Fe6 C73 167.9(2) . . ?
C70 Fe6 C73 115.3(2) . . ?
C75 Fe6 C73 68.2(4) . . ?
C71 Fe6 C73 106.2(2) . . ?
C17 P1 C29 103.70(12) . . ?
C17 P1 C5 101.44(14) . . ?
C29 P1 C5 101.78(13) . . ?
C17 P1 Ag1 115.79(10) . . ?
C29 P1 Ag1 115.28(9) . . ?
C5 P1 Ag1 116.73(10) . . ?
C53 P2 C41 104.14(14) . . ?
C53 P2 C65 101.55(14) . . ?
C41 P2 C65 102.72(16) . . ?
C53 P2 Ag2 109.10(11) . . ?
C41 P2 Ag2 121.70(10) . . ?
C65 P2 Ag2 115.32(11) . . ?
C1 O1 Ag1 125.00(19) . 2_666 ?
C1 O1 Ag1 131.85(18) . . ?
Ag1 O1 Ag1 96.22(7) 2_666 . ?
C1 O2 Ag2 113.93(19) . . ?
C3 O3 Ag1 122.34(19) . . ?
C3 O4 Ag2 129.02(19) . . ?
O1 C1 O2 123.8(3) . . ?
O1 C1 C2 118.3(3) . . ?
O2 C1 C2 117.8(3) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O4 C3 O3 126.3(3) . . ?
O4 C3 C4 117.4(3) . . ?
O3 C3 C4 116.3(3) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 P1 113.83(18) . . ?
C6 C5 H5A 108.8 . . ?
P1 C5 H5A 108.8 . . ?
C6 C5 H5B 108.8 . . ?
P1 C5 H5B 108.8 . . ?
H5A C5 H5B 107.7 . . ?
C7 C6 C5 109.7(2) . . ?
C7 C6 H6A 109.7 . . ?
C5 C6 H6A 109.7 . . ?
C7 C6 H6B 109.7 . . ?
C5 C6 H6B 109.7 . . ?
H6A C6 H6B 108.2 . . ?
C11 C7 C8 107.6(2) . . ?
C11 C7 C6 126.9(2) . . ?
C8 C7 C6 125.4(2) . . ?
C11 C7 Fe1 69.78(15) . . ?
C8 C7 Fe1 70.04(15) . . ?
C6 C7 Fe1 128.77(18) . . ?
C9 C8 C7 108.5(2) . . ?
C9 C8 Fe1 69.92(15) . . ?
C7 C8 Fe1 68.98(15) . . ?
C9 C8 H8 125.8 . . ?
C7 C8 H8 125.8 . . ?
Fe1 C8 H8 125.8 . . ?
C10 C9 C8 107.6(2) . . ?
C10 C9 Fe1 69.23(16) . . ?
C8 C9 Fe1 69.52(15) . . ?
C10 C9 H9 126.2 . . ?
C8 C9 H9 126.2 . . ?
Fe1 C9 H9 126.2 . . ?
C9 C10 C11 108.5(2) . . ?
C9 C10 Fe1 70.18(15) . . ?
C11 C10 Fe1 69.54(15) . . ?
C9 C10 H10 125.7 . . ?
C11 C10 H10 125.7 . . ?
Fe1 C10 H10 125.7 . . ?
C7 C11 C10 107.8(2) . . ?
C7 C11 Fe1 69.29(15) . . ?
C10 C11 Fe1 69.57(15) . . ?
C7 C11 H11 126.1 . . ?
C10 C11 H11 126.1 . . ?
Fe1 C11 H11 126.1 . . ?
C16 C12 C13 107.4(3) . . ?
C16 C12 Fe1 69.67(17) . . ?
C13 C12 Fe1 69.47(16) . . ?
C16 C12 H12 126.3 . . ?
C13 C12 H12 126.3 . . ?
Fe1 C12 H12 126.3 . . ?
C14 C13 C12 107.9(3) . . ?
C14 C13 Fe1 69.92(17) . . ?
C12 C13 Fe1 69.53(17) . . ?
C14 C13 H13 126.1 . . ?
C12 C13 H13 126.1 . . ?
Fe1 C13 H13 126.1 . . ?
C13 C14 C15 108.7(3) . . ?
C13 C14 Fe1 69.81(17) . . ?
C15 C14 Fe1 69.84(17) . . ?
C13 C14 H14 125.6 . . ?
C15 C14 H14 125.6 . . ?
Fe1 C14 H14 125.6 . . ?
C16 C15 C14 107.3(3) . . ?
C16 C15 Fe1 69.56(16) . . ?
C14 C15 Fe1 69.45(16) . . ?
C16 C15 H15 126.3 . . ?
C14 C15 H15 126.3 . . ?
Fe1 C15 H15 126.3 . . ?
C15 C16 C12 108.6(3) . . ?
C15 C16 Fe1 69.97(17) . . ?
C12 C16 Fe1 69.66(17) . . ?
C15 C16 H16 125.7 . . ?
C12 C16 H16 125.7 . . ?
Fe1 C16 H16 125.7 . . ?
C18 C17 P1 110.90(18) . . ?
C18 C17 H17A 109.5 . . ?
P1 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
P1 C17 H17B 109.5 . . ?
H17A C17 H17B 108.0 . . ?
C19 C18 C17 113.1(2) . . ?
C19 C18 H18A 109.0 . . ?
C17 C18 H18A 109.0 . . ?
C19 C18 H18B 109.0 . . ?
C17 C18 H18B 109.0 . . ?
H18A C18 H18B 107.8 . . ?
C23 C19 C20 107.6(3) . . ?
C23 C19 C18 126.4(3) . . ?
C20 C19 C18 125.9(3) . . ?
C23 C19 Fe2 69.99(19) . . ?
C20 C19 Fe2 68.96(19) . . ?
C18 C19 Fe2 129.4(2) . . ?
C19 C20 C21 107.0(4) . . ?
C19 C20 Fe2 70.1(2) . . ?
C21 C20 Fe2 69.0(2) . . ?
C19 C20 H20 126.5 . . ?
C21 C20 H20 126.5 . . ?
Fe2 C20 H20 126.5 . . ?
C22 C21 C20 109.3(3) . . ?
C22 C21 Fe2 71.0(2) . . ?
C20 C21 Fe2 69.6(2) . . ?
C22 C21 H21 125.4 . . ?
C20 C21 H21 125.4 . . ?
Fe2 C21 H21 125.4 . . ?
C21 C22 C23 107.2(3) . . ?
C21 C22 Fe2 68.7(2) . . ?
C23 C22 Fe2 69.8(2) . . ?
C21 C22 H22 126.4 . . ?
C23 C22 H22 126.4 . . ?
Fe2 C22 H22 126.4 . . ?
C22 C23 C19 109.0(4) . . ?
C22 C23 Fe2 69.8(2) . . ?
C19 C23 Fe2 69.47(19) . . ?
C22 C23 H23 125.5 . . ?
C19 C23 H23 125.5 . . ?
Fe2 C23 H23 125.5 . . ?
C30 C29 P1 114.35(19) . . ?
C30 C29 H29A 108.7 . . ?
P1 C29 H29A 108.7 . . ?
C30 C29 H29B 108.7 . . ?
P1 C29 H29B 108.7 . . ?
H29A C29 H29B 107.6 . . ?
C31 C30 C29 112.1(2) . . ?
C31 C30 H30A 109.2 . . ?
C29 C30 H30A 109.2 . . ?
C31 C30 H30B 109.2 . . ?
C29 C30 H30B 109.2 . . ?
H30A C30 H30B 107.9 . . ?
C35 C31 C32 107.4(3) . . ?
C35 C31 C30 126.8(3) . . ?
C32 C31 C30 125.7(3) . . ?
C35 C31 Fe3 69.55(17) . . ?
C32 C31 Fe3 69.41(16) . . ?
C30 C31 Fe3 127.50(19) . . ?
C33 C32 C31 108.2(3) . . ?
C33 C32 Fe3 69.75(18) . . ?
C31 C32 Fe3 69.63(16) . . ?
C33 C32 H32 125.9 . . ?
C31 C32 H32 125.9 . . ?
Fe3 C32 H32 125.9 . . ?
C34 C33 C32 107.9(3) . . ?
C34 C33 Fe3 69.67(19) . . ?
C32 C33 Fe3 69.42(16) . . ?
C34 C33 H33 126.0 . . ?
C32 C33 H33 126.0 . . ?
Fe3 C33 H33 126.0 . . ?
C33 C34 C35 108.4(3) . . ?
C33 C34 Fe3 69.9(2) . . ?
C35 C34 Fe3 69.63(18) . . ?
C33 C34 H34 125.8 . . ?
C35 C34 H34 125.8 . . ?
Fe3 C34 H34 125.8 . . ?
C34 C35 C31 108.0(3) . . ?
C34 C35 Fe3 69.57(18) . . ?
C31 C35 Fe3 69.58(17) . . ?
C34 C35 H35 126.0 . . ?
C31 C35 H35 126.0 . . ?
Fe3 C35 H35 126.0 . . ?
C37 C36 C40 108.0(2) . . ?
C37 C36 Fe3 69.55(16) . . ?
C40 C36 Fe3 70.00(16) . . ?
C37 C36 H36 126.0 . . ?
C40 C36 H36 126.0 . . ?
Fe3 C36 H36 126.0 . . ?
C38 C37 C36 108.1(3) . . ?
C38 C37 Fe3 69.85(18) . . ?
C36 C37 Fe3 69.56(17) . . ?
C38 C37 H37 125.9 . . ?
C36 C37 H37 125.9 . . ?
Fe3 C37 H37 125.9 . . ?
C39 C38 C37 108.2(3) . . ?
C39 C38 Fe3 70.11(17) . . ?
C37 C38 Fe3 69.40(17) . . ?
C39 C38 H38 125.9 . . ?
C37 C38 H38 125.9 . . ?
Fe3 C38 H38 125.9 . . ?
C38 C39 C40 108.1(3) . . ?
C38 C39 Fe3 69.33(17) . . ?
C40 C39 Fe3 69.48(16) . . ?
C38 C39 H39 126.0 . . ?
C40 C39 H39 126.0 . . ?
Fe3 C39 H39 126.0 . . ?
C39 C40 C36 107.6(2) . . ?
C39 C40 Fe3 69.77(16) . . ?
C36 C40 Fe3 69.07(17) . . ?
C39 C40 H40 126.2 . . ?
C36 C40 H40 126.2 . . ?
Fe3 C40 H40 126.2 . . ?
C42 C41 P2 114.7(2) . . ?
C42 C41 H41A 108.6 . . ?
P2 C41 H41A 108.6 . . ?
C42 C41 H41B 108.6 . . ?
P2 C41 H41B 108.6 . . ?
H41A C41 H41B 107.6 . . ?
C43 C42 C41 110.4(3) . . ?
C43 C42 H42A 109.6 . . ?
C41 C42 H42A 109.6 . . ?
C43 C42 H42B 109.6 . . ?
C41 C42 H42B 109.6 . . ?
H42A C42 H42B 108.1 . . ?
C44 C43 C47 106.7(3) . . ?
C44 C43 C42 126.4(3) . . ?
C47 C43 C42 126.6(3) . . ?
C44 C43 Fe4 69.25(19) . . ?
C47 C43 Fe4 69.18(19) . . ?
C42 C43 Fe4 131.2(2) . . ?
C45 C44 C43 108.4(3) . . ?
C45 C44 Fe4 69.3(2) . . ?
C43 C44 Fe4 69.9(2) . . ?
C45 C44 H44 125.8 . . ?
C43 C44 H44 125.8 . . ?
Fe4 C44 H44 125.8 . . ?
C46 C45 C44 108.1(3) . . ?
C46 C45 Fe4 69.8(2) . . ?
C44 C45 Fe4 69.8(2) . . ?
C46 C45 H45 125.9 . . ?
C44 C45 H45 125.9 . . ?
Fe4 C45 H45 125.9 . . ?
C45 C46 C47 108.1(3) . . ?
C45 C46 Fe4 69.6(2) . . ?
C47 C46 Fe4 69.8(2) . . ?
C45 C46 H46 125.9 . . ?
C47 C46 H46 125.9 . . ?
Fe4 C46 H46 125.9 . . ?
C46 C47 C43 108.6(3) . . ?
C46 C47 Fe4 69.5(2) . . ?
C43 C47 Fe4 69.83(19) . . ?
C46 C47 H47 125.7 . . ?
C43 C47 H47 125.7 . . ?
Fe4 C47 H47 125.7 . . ?
C49 C48 C52 107.8(3) . . ?
C49 C48 Fe4 69.8(2) . . ?
C52 C48 Fe4 69.6(2) . . ?
C49 C48 H48 126.1 . . ?
C52 C48 H48 126.1 . . ?
Fe4 C48 H48 126.1 . . ?
C48 C49 C50 107.7(3) . . ?
C48 C49 Fe4 69.6(2) . . ?
C50 C49 Fe4 69.9(2) . . ?
C48 C49 H49 126.2 . . ?
C50 C49 H49 126.2 . . ?
Fe4 C49 H49 126.2 . . ?
C51 C50 C49 108.2(3) . . ?
C51 C50 Fe4 70.16(18) . . ?
C49 C50 Fe4 69.18(19) . . ?
C51 C50 H50 125.9 . . ?
C49 C50 H50 125.9 . . ?
Fe4 C50 H50 125.9 . . ?
C50 C51 C52 107.8(3) . . ?
C50 C51 Fe4 69.69(19) . . ?
C52 C51 Fe4 69.1(2) . . ?
C50 C51 H51 126.1 . . ?
C52 C51 H51 126.1 . . ?
Fe4 C51 H51 126.1 . . ?
C51 C52 C48 108.4(3) . . ?
C51 C52 Fe4 70.5(2) . . ?
C48 C52 Fe4 69.6(2) . . ?
C51 C52 H52 125.8 . . ?
C48 C52 H52 125.8 . . ?
Fe4 C52 H52 125.8 . . ?
C54 C53 P2 112.08(19) . . ?
C54 C53 H53A 109.2 . . ?
P2 C53 H53A 109.2 . . ?
C54 C53 H53B 109.2 . . ?
P2 C53 H53B 109.2 . . ?
H53A C53 H53B 107.9 . . ?
C55 C54 C53 112.9(2) . . ?
C55 C54 H54A 109.0 . . ?
C53 C54 H54A 109.0 . . ?
C55 C54 H54B 109.0 . . ?
C53 C54 H54B 109.0 . . ?
H54A C54 H54B 107.8 . . ?
C56 C55 C59 107.3(2) . . ?
C56 C55 C54 126.4(2) . . ?
C59 C55 C54 126.2(2) . . ?
C56 C55 Fe5 69.50(15) . . ?
C59 C55 Fe5 69.53(16) . . ?
C54 C55 Fe5 127.1(2) . . ?
C57 C56 C55 108.0(2) . . ?
C57 C56 Fe5 69.76(17) . . ?
C55 C56 Fe5 69.54(15) . . ?
C57 C56 H56 126.0 . . ?
C55 C56 H56 126.0 . . ?
Fe5 C56 H56 126.0 . . ?
C58 C57 C56 108.3(2) . . ?
C58 C57 Fe5 69.70(16) . . ?
C56 C57 Fe5 69.35(15) . . ?
C58 C57 H57 125.8 . . ?
C56 C57 H57 125.8 . . ?
Fe5 C57 H57 125.8 . . ?
C59 C58 C57 107.7(3) . . ?
C59 C58 Fe5 69.47(16) . . ?
C57 C58 Fe5 69.61(16) . . ?
C59 C58 H58 126.2 . . ?
C57 C58 H58 126.2 . . ?
Fe5 C58 H58 126.2 . . ?
C58 C59 C55 108.7(3) . . ?
C58 C59 Fe5 69.90(16) . . ?
C55 C59 Fe5 69.48(16) . . ?
C58 C59 H59 125.6 . . ?
C55 C59 H59 125.6 . . ?
Fe5 C59 H59 125.6 . . ?
C64 C60 C61 107.9(3) . . ?
C64 C60 Fe5 70.11(16) . . ?
C61 C60 Fe5 69.20(16) . . ?
C64 C60 H60 126.1 . . ?
C61 C60 H60 126.1 . . ?
Fe5 C60 H60 126.1 . . ?
C62 C61 C60 107.9(3) . . ?
C62 C61 Fe5 70.08(16) . . ?
C60 C61 Fe5 69.83(17) . . ?
C62 C61 H61 126.0 . . ?
C60 C61 H61 126.0 . . ?
Fe5 C61 H61 126.0 . . ?
C61 C62 C63 108.3(2) . . ?
C61 C62 Fe5 69.21(16) . . ?
C63 C62 Fe5 70.13(16) . . ?
C61 C62 H62 125.9 . . ?
C63 C62 H62 125.9 . . ?
Fe5 C62 H62 125.9 . . ?
C62 C63 C64 108.0(3) . . ?
C62 C63 Fe5 69.29(16) . . ?
C64 C63 Fe5 69.68(17) . . ?
C62 C63 H63 126.0 . . ?
C64 C63 H63 126.0 . . ?
Fe5 C63 H63 126.0 . . ?
C63 C64 C60 107.9(3) . . ?
C63 C64 Fe5 69.81(16) . . ?
C60 C64 Fe5 69.17(17) . . ?
C63 C64 H64 126.0 . . ?
C60 C64 H64 126.0 . . ?
Fe5 C64 H64 126.0 . . ?
C66 C65 P2 114.2(2) . . ?
C66 C65 H65A 108.7 . . ?
P2 C65 H65A 108.7 . . ?
C66 C65 H65B 108.7 . . ?
P2 C65 H65B 108.7 . . ?
H65A C65 H65B 107.6 . . ?
C67 C66 C65 111.6(2) . . ?
C67 C66 H66A 109.3 . . ?
C65 C66 H66A 109.3 . . ?
C67 C66 H66B 109.3 . . ?
C65 C66 H66B 109.3 . . ?
H66A C66 H66B 108.0 . . ?
C71 C67 C68 107.4(3) . . ?
C71 C67 C66 126.5(3) . . ?
C68 C67 C66 126.2(3) . . ?
C71 C67 Fe6 69.84(18) . . ?
C68 C67 Fe6 69.59(18) . . ?
C66 C67 Fe6 126.4(2) . . ?
C69 C68 C67 108.5(3) . . ?
C69 C68 Fe6 69.18(19) . . ?
C67 C68 Fe6 69.32(17) . . ?
C69 C68 H68 125.7 . . ?
C67 C68 H68 125.7 . . ?
Fe6 C68 H68 125.7 . . ?
C70 C69 C68 107.7(3) . . ?
C70 C69 Fe6 70.0(2) . . ?
C68 C69 Fe6 69.82(19) . . ?
C70 C69 H69 126.1 . . ?
C68 C69 H69 126.1 . . ?
Fe6 C69 H69 126.1 . . ?
C69 C70 C71 108.2(3) . . ?
C69 C70 Fe6 69.18(19) . . ?
C71 C70 Fe6 69.66(19) . . ?
C69 C70 H70 125.9 . . ?
C71 C70 H70 125.9 . . ?
Fe6 C70 H70 125.9 . . ?
C67 C71 C70 108.2(3) . . ?
C67 C71 Fe6 69.21(17) . . ?
C70 C71 Fe6 69.4(2) . . ?
C67 C71 H71 125.9 . . ?
C70 C71 H71 125.9 . . ?
Fe6 C71 H71 125.9 . . ?
C28 C24 C25 108.1(4) . . ?
C28 C24 Fe2 65.8(6) . . ?
C25 C24 Fe2 71.0(6) . . ?
C28 C24 H24 125.9 . . ?
C25 C24 H24 125.9 . . ?
Fe2 C24 H24 125.9 . . ?
C26 C25 C24 108.0(4) . . ?
C26 C25 Fe2 68.6(4) . . ?
C24 C25 Fe2 68.9(6) . . ?
C26 C25 H25B 125.9 . . ?
C24 C25 H25B 125.9 . . ?
Fe2 C25 H25B 125.9 . . ?
C25 C26 C27 108.2(4) . . ?
C25 C26 Fe2 71.4(4) . . ?
C27 C26 Fe2 66.7(4) . . ?
C25 C26 H26 125.9 . . ?
C27 C26 H26 125.9 . . ?
Fe2 C26 H26 125.9 . . ?
C26 C27 C28 107.4(4) . . ?
C26 C27 Fe2 71.9(4) . . ?
C28 C27 Fe2 68.1(5) . . ?
C26 C27 H27 126.3 . . ?
C28 C27 H27 126.3 . . ?
Fe2 C27 H27 126.3 . . ?
C24 C28 C27 108.1(4) . . ?
C24 C28 Fe2 73.1(7) . . ?
C27 C28 Fe2 69.5(5) . . ?
C24 C28 H28 125.9 . . ?
C27 C28 H28 125.9 . . ?
Fe2 C28 H28 125.9 . . ?
C73 C72 C76 106.7(4) . . ?
C73 C72 Fe6 71.2(3) . . ?
C76 C72 Fe6 68.2(4) . . ?
C73 C72 H72 126.6 . . ?
C76 C72 H72 126.6 . . ?
Fe6 C72 H72 126.6 . . ?
C74 C73 C72 108.5(4) . . ?
C74 C73 Fe6 70.8(3) . . ?
C72 C73 Fe6 68.0(3) . . ?
C74 C73 H73 125.7 . . ?
C72 C73 H73 125.7 . . ?
Fe6 C73 H73 125.7 . . ?
C73 C74 C75 108.7(4) . . ?
C73 C74 Fe6 69.6(3) . . ?
C75 C74 Fe6 68.0(9) . . ?
C73 C74 H74B 125.6 . . ?
C75 C74 H74B 125.6 . . ?
Fe6 C74 H74B 125.6 . . ?
C76 C75 C74 107.0(4) . . ?
C76 C75 Fe6 68.1(7) . . ?
C74 C75 Fe6 71.6(7) . . ?
C76 C75 H75 126.5 . . ?
C74 C75 H75 126.5 . . ?
Fe6 C75 H75 126.5 . . ?
C75 C76 C72 109.0(4) . . ?
C75 C76 Fe6 70.9(9) . . ?
C72 C76 Fe6 70.2(4) . . ?
C75 C76 H76 125.5 . . ?
C72 C76 H76 125.5 . . ?
Fe6 C76 H76 125.5 . . ?
C25A C24A C28A 114.2(11) . . ?
C25A C24A Fe2 68.9(11) . . ?
C28A C24A Fe2 77.7(13) . . ?
C25A C24A H24A 122.9 . . ?
C28A C24A H24A 122.9 . . ?
Fe2 C24A H24A 122.9 . . ?
C24A C25A C26A 106.5(9) . . ?
C24A C25A Fe2 71.6(13) . . ?
C26A C25A Fe2 70.3(7) . . ?
C24A C25A H25A 126.7 . . ?
C26A C25A H25A 126.7 . . ?
Fe2 C25A H25A 126.7 . . ?
C27A C26A C25A 103.1(7) . . ?
C27A C26A Fe2 73.9(6) . . ?
C25A C26A Fe2 66.6(7) . . ?
C27A C26A H26A 128.3 . . ?
C25A C26A H26A 128.3 . . ?
Fe2 C26A H26A 128.3 . . ?
C28A C27A C26A 111.8(8) . . ?
C28A C27A Fe2 72.8(7) . . ?
C26A C27A Fe2 66.2(6) . . ?
C28A C27A H27A 124.0 . . ?
C26A C27A H27A 124.0 . . ?
Fe2 C27A H27A 124.0 . . ?
C24A C28A C27A 104.4(9) . . ?
C24A C28A Fe2 64.6(13) . . ?
C27A C28A Fe2 69.3(7) . . ?
C24A C28A H28A 127.8 . . ?
C27A C28A H28A 127.8 . . ?
Fe2 C28A H28A 127.8 . . ?
C73A C72A C76A 106.7(9) . . ?
C73A C72A Fe6 66.9(7) . . ?
C76A C72A Fe6 68.5(6) . . ?
C73A C72A H72A 126.6 . . ?
C76A C72A H72A 126.6 . . ?
Fe6 C72A H72A 126.6 . . ?
C74A C73A C72A 111.3(10) . . ?
C74A C73A Fe6 68.4(7) . . ?
C72A C73A Fe6 73.9(7) . . ?
C74A C73A H73A 124.4 . . ?
C72A C73A H73A 124.4 . . ?
Fe6 C73A H73A 124.4 . . ?
C73A C74A C75A 108.2(10) . . ?
C73A C74A Fe6 72.5(8) . . ?
C75A C74A Fe6 70.2(14) . . ?
C73A C74A H74A 125.8 . . ?
C75A C74A H74A 125.8 . . ?
Fe6 C74A H74A 125.8 . . ?
C76A C75A C74A 105.0(10) . . ?
C76A C75A Fe6 71.4(12) . . ?
C74A C75A Fe6 67.3(11) . . ?
C76A C75A H75A 127.5 . . ?
C74A C75A H75A 127.5 . . ?
Fe6 C75A H75A 127.5 . . ?
C72A C76A C75A 108.8(9) . . ?
C72A C76A Fe6 72.4(6) . . ?
C75A C76A Fe6 67.5(12) . . ?
C72A C76A H76A 125.6 . . ?
C75A C76A H76A 125.6 . . ?
Fe6 C76A H76A 125.6 . . ?
C1S O1S C4S 105.2(3) . . ?
O1S C1S C2S 106.1(3) . . ?
O1S C1S H1SA 110.5 . . ?
C2S C1S H1SA 110.5 . . ?
O1S C1S H1SB 110.5 . . ?
C2S C1S H1SB 110.5 . . ?
H1SA C1S H1SB 108.7 . . ?
C1S C2S C3S 103.9(3) . . ?
C1S C2S H2SA 111.0 . . ?
C3S C2S H2SA 111.0 . . ?
C1S C2S H2SB 111.0 . . ?
C3S C2S H2SB 111.0 . . ?
H2SA C2S H2SB 109.0 . . ?
C2S C3S C4S 104.2(3) . . ?
C2S C3S H3SA 110.9 . . ?
C4S C3S H3SA 110.9 . . ?
C2S C3S H3SB 110.9 . . ?
C4S C3S H3SB 110.9 . . ?
H3SA C3S H3SB 108.9 . . ?
O1S C4S C3S 105.6(3) . . ?
O1S C4S H4SA 110.6 . . ?
C3S C4S H4SA 110.6 . . ?
O1S C4S H4SB 110.6 . . ?
C3S C4S H4SB 110.6 . . ?
H4SA C4S H4SB 108.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 O1 C1 O2 174.7(2) 2_666 . . . ?
Ag1 O1 C1 O2 31.1(4) . . . . ?
Ag1 O1 C1 C2 -5.3(3) 2_666 . . . ?
Ag1 O1 C1 C2 -148.9(2) . . . . ?
Ag2 O2 C1 O1 2.3(3) . . . . ?
Ag2 O2 C1 C2 -177.63(18) . . . . ?
Ag2 O4 C3 O3 -0.2(5) . . . . ?
Ag2 O4 C3 C4 -179.2(2) . . . . ?
Ag1 O3 C3 O4 6.0(4) . . . . ?
Ag1 O3 C3 C4 -174.95(19) . . . . ?
C17 P1 C5 C6 -161.47(19) . . . . ?
C29 P1 C5 C6 -54.7(2) . . . . ?
Ag1 P1 C5 C6 71.7(2) . . . . ?
P1 C5 C6 C7 -178.34(17) . . . . ?
C5 C6 C7 C11 91.4(3) . . . . ?
C5 C6 C7 C8 -83.8(3) . . . . ?
C5 C6 C7 Fe1 -175.77(18) . . . . ?
C11 C7 C8 C9 1.0(3) . . . . ?
C6 C7 C8 C9 177.1(2) . . . . ?
Fe1 C7 C8 C9 -58.92(18) . . . . ?
C11 C7 C8 Fe1 59.95(17) . . . . ?
C6 C7 C8 Fe1 -124.0(2) . . . . ?
C7 C8 C9 C10 -0.6(3) . . . . ?
Fe1 C8 C9 C10 -58.98(18) . . . . ?
C7 C8 C9 Fe1 58.35(18) . . . . ?
C8 C9 C10 C11 0.0(3) . . . . ?
Fe1 C9 C10 C11 -59.16(19) . . . . ?
C8 C9 C10 Fe1 59.16(18) . . . . ?
C8 C7 C11 C10 -1.0(3) . . . . ?
C6 C7 C11 C10 -177.0(2) . . . . ?
Fe1 C7 C11 C10 59.09(18) . . . . ?
C8 C7 C11 Fe1 -60.11(17) . . . . ?
C6 C7 C11 Fe1 123.9(3) . . . . ?
C9 C10 C11 C7 0.6(3) . . . . ?
Fe1 C10 C11 C7 -58.92(18) . . . . ?
C9 C10 C11 Fe1 59.56(19) . . . . ?
C16 C12 C13 C14 0.0(3) . . . . ?
Fe1 C12 C13 C14 -59.6(2) . . . . ?
C16 C12 C13 Fe1 59.6(2) . . . . ?
C12 C13 C14 C15 0.2(3) . . . . ?
Fe1 C13 C14 C15 -59.2(2) . . . . ?
C12 C13 C14 Fe1 59.4(2) . . . . ?
C13 C14 C15 C16 -0.3(3) . . . . ?
Fe1 C14 C15 C16 -59.48(19) . . . . ?
C13 C14 C15 Fe1 59.2(2) . . . . ?
C14 C15 C16 C12 0.3(3) . . . . ?
Fe1 C15 C16 C12 -59.11(19) . . . . ?
C14 C15 C16 Fe1 59.41(19) . . . . ?
C13 C12 C16 C15 -0.2(3) . . . . ?
Fe1 C12 C16 C15 59.3(2) . . . . ?
C13 C12 C16 Fe1 -59.5(2) . . . . ?
C29 P1 C17 C18 -165.56(19) . . . . ?
C5 P1 C17 C18 -60.3(2) . . . . ?
Ag1 P1 C17 C18 67.1(2) . . . . ?
P1 C17 C18 C19 -164.0(2) . . . . ?
C17 C18 C19 C23 29.0(4) . . . . ?
C17 C18 C19 C20 -155.4(3) . . . . ?
C17 C18 C19 Fe2 -64.2(4) . . . . ?
C23 C19 C20 C21 -0.1(4) . . . . ?
C18 C19 C20 C21 -176.4(3) . . . . ?
Fe2 C19 C20 C21 59.4(3) . . . . ?
C23 C19 C20 Fe2 -59.6(2) . . . . ?
C18 C19 C20 Fe2 124.1(3) . . . . ?
C19 C20 C21 C22 0.0(4) . . . . ?
Fe2 C20 C21 C22 60.1(3) . . . . ?
C19 C20 C21 Fe2 -60.1(2) . . . . ?
C20 C21 C22 C23 0.1(4) . . . . ?
Fe2 C21 C22 C23 59.4(3) . . . . ?
C20 C21 C22 Fe2 -59.3(3) . . . . ?
C21 C22 C23 C19 -0.2(4) . . . . ?
Fe2 C22 C23 C19 58.5(2) . . . . ?
C21 C22 C23 Fe2 -58.8(3) . . . . ?
C20 C19 C23 C22 0.2(4) . . . . ?
C18 C19 C23 C22 176.5(3) . . . . ?
Fe2 C19 C23 C22 -58.7(2) . . . . ?
C20 C19 C23 Fe2 58.9(2) . . . . ?
C18 C19 C23 Fe2 -124.8(3) . . . . ?
C17 P1 C29 C30 -57.2(2) . . . . ?
C5 P1 C29 C30 -162.24(19) . . . . ?
Ag1 P1 C29 C30 70.4(2) . . . . ?
P1 C29 C30 C31 170.15(19) . . . . ?
C29 C30 C31 C35 75.3(3) . . . . ?
C29 C30 C31 C32 -103.0(3) . . . . ?
C29 C30 C31 Fe3 166.69(19) . . . . ?
C35 C31 C32 C33 0.1(3) . . . . ?
C30 C31 C32 C33 178.7(2) . . . . ?
Fe3 C31 C32 C33 -59.3(2) . . . . ?
C35 C31 C32 Fe3 59.40(19) . . . . ?
C30 C31 C32 Fe3 -122.1(3) . . . . ?
C31 C32 C33 C34 0.0(3) . . . . ?
Fe3 C32 C33 C34 -59.2(2) . . . . ?
C31 C32 C33 Fe3 59.20(19) . . . . ?
C32 C33 C34 C35 0.0(3) . . . . ?
Fe3 C33 C34 C35 -59.1(2) . . . . ?
C32 C33 C34 Fe3 59.1(2) . . . . ?
C33 C34 C35 C31 0.1(3) . . . . ?
Fe3 C34 C35 C31 -59.2(2) . . . . ?
C33 C34 C35 Fe3 59.3(2) . . . . ?
C32 C31 C35 C34 -0.2(3) . . . . ?
C30 C31 C35 C34 -178.7(2) . . . . ?
Fe3 C31 C35 C34 59.2(2) . . . . ?
C32 C31 C35 Fe3 -59.31(19) . . . . ?
C30 C31 C35 Fe3 122.2(3) . . . . ?
C40 C36 C37 C38 -0.3(3) . . . . ?
Fe3 C36 C37 C38 59.4(2) . . . . ?
C40 C36 C37 Fe3 -59.70(19) . . . . ?
C36 C37 C38 C39 0.4(3) . . . . ?
Fe3 C37 C38 C39 59.6(2) . . . . ?
C36 C37 C38 Fe3 -59.24(19) . . . . ?
C37 C38 C39 C40 -0.3(3) . . . . ?
Fe3 C38 C39 C40 58.8(2) . . . . ?
C37 C38 C39 Fe3 -59.2(2) . . . . ?
C38 C39 C40 C36 0.1(3) . . . . ?
Fe3 C39 C40 C36 58.90(19) . . . . ?
C38 C39 C40 Fe3 -58.8(2) . . . . ?
C37 C36 C40 C39 0.1(3) . . . . ?
Fe3 C36 C40 C39 -59.34(19) . . . . ?
C37 C36 C40 Fe3 59.41(19) . . . . ?
C53 P2 C41 C42 69.6(2) . . . . ?
C65 P2 C41 C42 175.1(2) . . . . ?
Ag2 P2 C41 C42 -54.0(2) . . . . ?
P2 C41 C42 C43 162.0(2) . . . . ?
C41 C42 C43 C44 60.5(4) . . . . ?
C41 C42 C43 C47 -112.5(4) . . . . ?
C41 C42 C43 Fe4 154.0(2) . . . . ?
C47 C43 C44 C45 -0.5(4) . . . . ?
C42 C43 C44 C45 -174.7(3) . . . . ?
Fe4 C43 C44 C45 58.8(3) . . . . ?
C47 C43 C44 Fe4 -59.3(2) . . . . ?
C42 C43 C44 Fe4 126.5(3) . . . . ?
C43 C44 C45 C46 0.4(4) . . . . ?
Fe4 C44 C45 C46 59.5(3) . . . . ?
C43 C44 C45 Fe4 -59.1(2) . . . . ?
C44 C45 C46 C47 -0.1(4) . . . . ?
Fe4 C45 C46 C47 59.4(3) . . . . ?
C44 C45 C46 Fe4 -59.5(3) . . . . ?
C45 C46 C47 C43 -0.2(4) . . . . ?
Fe4 C46 C47 C43 59.0(2) . . . . ?
C45 C46 C47 Fe4 -59.3(3) . . . . ?
C44 C43 C47 C46 0.5(4) . . . . ?
C42 C43 C47 C46 174.6(3) . . . . ?
Fe4 C43 C47 C46 -58.9(3) . . . . ?
C44 C43 C47 Fe4 59.3(2) . . . . ?
C42 C43 C47 Fe4 -126.5(3) . . . . ?
C52 C48 C49 C50 -0.3(4) . . . . ?
Fe4 C48 C49 C50 -59.8(2) . . . . ?
C52 C48 C49 Fe4 59.4(3) . . . . ?
C48 C49 C50 C51 0.1(4) . . . . ?
Fe4 C49 C50 C51 -59.5(3) . . . . ?
C48 C49 C50 Fe4 59.6(2) . . . . ?
C49 C50 C51 C52 0.2(4) . . . . ?
Fe4 C50 C51 C52 -58.7(3) . . . . ?
C49 C50 C51 Fe4 58.9(3) . . . . ?
C50 C51 C52 C48 -0.4(4) . . . . ?
Fe4 C51 C52 C48 -59.5(2) . . . . ?
C50 C51 C52 Fe4 59.1(3) . . . . ?
C49 C48 C52 C51 0.5(4) . . . . ?
Fe4 C48 C52 C51 60.0(3) . . . . ?
C49 C48 C52 Fe4 -59.6(3) . . . . ?
C41 P2 C53 C54 -176.90(19) . . . . ?
C65 P2 C53 C54 76.6(2) . . . . ?
Ag2 P2 C53 C54 -45.5(2) . . . . ?
P2 C53 C54 C55 -171.43(19) . . . . ?
C53 C54 C55 C56 150.9(3) . . . . ?
C53 C54 C55 C59 -30.4(4) . . . . ?
C53 C54 C55 Fe5 60.2(3) . . . . ?
C59 C55 C56 C57 0.1(3) . . . . ?
C54 C55 C56 C57 179.0(2) . . . . ?
Fe5 C55 C56 C57 -59.37(19) . . . . ?
C59 C55 C56 Fe5 59.49(19) . . . . ?
C54 C55 C56 Fe5 -121.6(3) . . . . ?
C55 C56 C57 C58 0.2(3) . . . . ?
Fe5 C56 C57 C58 -59.00(19) . . . . ?
C55 C56 C57 Fe5 59.24(19) . . . . ?
C56 C57 C58 C59 -0.5(3) . . . . ?
Fe5 C57 C58 C59 -59.28(18) . . . . ?
C56 C57 C58 Fe5 58.78(18) . . . . ?
C57 C58 C59 C55 0.6(3) . . . . ?
Fe5 C58 C59 C55 -58.79(18) . . . . ?
C57 C58 C59 Fe5 59.36(19) . . . . ?
C56 C55 C59 C58 -0.4(3) . . . . ?
C54 C55 C59 C58 -179.3(2) . . . . ?
Fe5 C55 C59 C58 59.04(19) . . . . ?
C56 C55 C59 Fe5 -59.47(19) . . . . ?
C54 C55 C59 Fe5 121.6(3) . . . . ?
C64 C60 C61 C62 0.3(3) . . . . ?
Fe5 C60 C61 C62 59.98(18) . . . . ?
C64 C60 C61 Fe5 -59.66(19) . . . . ?
C60 C61 C62 C63 -0.4(3) . . . . ?
Fe5 C61 C62 C63 59.45(19) . . . . ?
C60 C61 C62 Fe5 -59.82(19) . . . . ?
C61 C62 C63 C64 0.3(3) . . . . ?
Fe5 C62 C63 C64 59.2(2) . . . . ?
C61 C62 C63 Fe5 -58.9(2) . . . . ?
C62 C63 C64 C60 -0.1(3) . . . . ?
Fe5 C63 C64 C60 58.84(19) . . . . ?
C62 C63 C64 Fe5 -58.92(19) . . . . ?
C61 C60 C64 C63 -0.2(3) . . . . ?
Fe5 C60 C64 C63 -59.24(19) . . . . ?
C61 C60 C64 Fe5 59.09(19) . . . . ?
C53 P2 C65 C66 -172.7(2) . . . . ?
C41 P2 C65 C66 79.7(2) . . . . ?
Ag2 P2 C65 C66 -55.0(2) . . . . ?
P2 C65 C66 C67 -179.9(2) . . . . ?
C65 C66 C67 C71 -67.7(4) . . . . ?
C65 C66 C67 C68 111.5(3) . . . . ?
C65 C66 C67 Fe6 -158.4(2) . . . . ?
C71 C67 C68 C69 -1.7(4) . . . . ?
C66 C67 C68 C69 179.0(3) . . . . ?
Fe6 C67 C68 C69 58.2(2) . . . . ?
C71 C67 C68 Fe6 -59.9(2) . . . . ?
C66 C67 C68 Fe6 120.8(3) . . . . ?
C67 C68 C69 C70 1.7(4) . . . . ?
Fe6 C68 C69 C70 60.0(2) . . . . ?
C67 C68 C69 Fe6 -58.3(2) . . . . ?
C68 C69 C70 C71 -1.0(4) . . . . ?
Fe6 C69 C70 C71 58.9(2) . . . . ?
C68 C69 C70 Fe6 -59.9(2) . . . . ?
C68 C67 C71 C70 1.1(4) . . . . ?
C66 C67 C71 C70 -179.6(3) . . . . ?
Fe6 C67 C71 C70 -58.7(2) . . . . ?
C68 C67 C71 Fe6 59.7(2) . . . . ?
C66 C67 C71 Fe6 -121.0(3) . . . . ?
C69 C70 C71 C67 0.0(4) . . . . ?
Fe6 C70 C71 C67 58.5(2) . . . . ?
C69 C70 C71 Fe6 -58.6(2) . . . . ?
C28 C24 C25 C26 -2.1(15) . . . . ?
Fe2 C24 C25 C26 -57.5(7) . . . . ?
C28 C24 C25 Fe2 55.4(10) . . . . ?
C24 C25 C26 C27 1.0(12) . . . . ?
Fe2 C25 C26 C27 -56.6(6) . . . . ?
C24 C25 C26 Fe2 57.7(9) . . . . ?
C25 C26 C27 C28 0.5(10) . . . . ?
Fe2 C26 C27 C28 -59.0(7) . . . . ?
C25 C26 C27 Fe2 59.5(6) . . . . ?
C25 C24 C28 C27 2.4(16) . . . . ?
Fe2 C24 C28 C27 61.0(8) . . . . ?
C25 C24 C28 Fe2 -58.5(10) . . . . ?
C26 C27 C28 C24 -1.8(13) . . . . ?
Fe2 C27 C28 C24 -63.3(10) . . . . ?
C26 C27 C28 Fe2 61.5(6) . . . . ?
C76 C72 C73 C74 0.1(7) . . . . ?
Fe6 C72 C73 C74 59.4(4) . . . . ?
C76 C72 C73 Fe6 -59.2(5) . . . . ?
C72 C73 C74 C75 -0.9(12) . . . . ?
Fe6 C73 C74 C75 56.8(11) . . . . ?
C72 C73 C74 Fe6 -57.7(4) . . . . ?
C73 C74 C75 C76 1.3(18) . . . . ?
Fe6 C74 C75 C76 59.1(12) . . . . ?
C73 C74 C75 Fe6 -57.7(7) . . . . ?
C74 C75 C76 C72 -1.2(18) . . . . ?
Fe6 C75 C76 C72 60.1(7) . . . . ?
C74 C75 C76 Fe6 -61.3(12) . . . . ?
C73 C72 C76 C75 0.7(13) . . . . ?
Fe6 C72 C76 C75 -60.5(11) . . . . ?
C73 C72 C76 Fe6 61.2(5) . . . . ?
C28A C24A C25A C26A 3(3) . . . . ?
Fe2 C24A C25A C26A -62.1(10) . . . . ?
C28A C24A C25A Fe2 65(2) . . . . ?
C24A C25A C26A C27A -2.9(18) . . . . ?
Fe2 C25A C26A C27A -65.8(7) . . . . ?
C24A C25A C26A Fe2 62.9(15) . . . . ?
C25A C26A C27A C28A 2.1(14) . . . . ?
Fe2 C26A C27A C28A -58.4(10) . . . . ?
C25A C26A C27A Fe2 60.5(8) . . . . ?
C25A C24A C28A C27A -1(3) . . . . ?
Fe2 C24A C28A C27A 58.3(12) . . . . ?
C25A C24A C28A Fe2 -59.8(18) . . . . ?
C26A C27A C28A C24A -1(2) . . . . ?
Fe2 C27A C28A C24A -55.2(16) . . . . ?
C26A C27A C28A Fe2 54.7(8) . . . . ?
C76A C72A C73A C74A 1.4(16) . . . . ?
Fe6 C72A C73A C74A 58.4(10) . . . . ?
C76A C72A C73A Fe6 -57.0(9) . . . . ?
C72A C73A C74A C75A 0(2) . . . . ?
Fe6 C73A C74A C75A 61.4(15) . . . . ?
C72A C73A C74A Fe6 -61.7(11) . . . . ?
C73A C74A C75A C76A -1(2) . . . . ?
Fe6 C74A C75A C76A 62.0(17) . . . . ?
C73A C74A C75A Fe6 -62.9(11) . . . . ?
C73A C72A C76A C75A -2.0(19) . . . . ?
Fe6 C72A C76A C75A -58.0(15) . . . . ?
C73A C72A C76A Fe6 56.0(9) . . . . ?
C74A C75A C76A C72A 2(2) . . . . ?
Fe6 C75A C76A C72A 61.0(11) . . . . ?
C74A C75A C76A Fe6 -59.2(15) . . . . ?
C4S O1S C1S C2S 38.7(4) . . . . ?
O1S C1S C2S C3S -24.2(4) . . . . ?
C1S C2S C3S C4S 1.6(4) . . . . ?
C1S O1S C4S C3S -37.4(4) . . . . ?
C2S C3S C4S O1S 21.2(4) . . . . ?

_refine_diff_density_max         1.865
_refine_diff_density_min         -1.557
_refine_diff_density_rms         0.189

_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Bruker Apex2'
_diffrn_measurement_device       'κ-geometry diffractometer'


