# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2017

####################################################################### 
# 
# 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_yasemin2
_database_code_depnum_ccdc_archive 'CCDC 1528114'
_audit_update_record             
;
2017-01-17 deposited with the CCDC.
2017-12-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C28 H36 Cl2 Fe2 N7 P3'
_chemical_formula_sum            'C28 H36 Cl2 Fe2 N7 P3'
_chemical_formula_weight         746.15

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'
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'
N N 0.0061 0.0033 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc'

loop_
_symmetry_equiv_pos_as_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                   33.5336(6)
_cell_length_b                   13.8058(3)
_cell_length_c                   15.6001(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 111.439(2)
_cell_angle_gamma                90.00
_cell_volume                     6722.5(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9662
_cell_measurement_theta_min      3.06
_cell_measurement_theta_max      28.33

_exptl_crystal_description       prism
_exptl_crystal_colour            bronze
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.474
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3072
_exptl_absorpt_coefficient_mu    1.196
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.826
_exptl_absorpt_correction_T_max  0.877
_exptl_absorpt_process_details   'SADABS; Bruker, 2012'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  
'Bruker Kappa APEXII CCD area-detector diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            64954
_diffrn_reflns_av_R_equivalents  0.0531
_diffrn_reflns_av_sigmaI/netI    0.0329
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.02
_diffrn_reflns_theta_max         28.41
_reflns_number_total             8344
_reflns_number_gt                6149
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'APEX2 (Bruker, 2012)'
_computing_cell_refinement       'SAINT (Bruker, 2012)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  
'WinGX publication routines (Farrugia, 2012) and PLATON (Spek, 2009)'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0311P)²+44.7823P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_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         8344
_refine_ls_number_parameters     397
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1056
_refine_ls_R_factor_gt           0.0725
_refine_ls_wR_factor_ref         0.1595
_refine_ls_wR_factor_gt          0.1394
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_restrained_S_all      1.060
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 0.135856(18) 0.50398(4) 0.44817(4) 0.04544(17) Uani 1 1 d . . .
Fe2 Fe 0.496094(19) 0.75771(6) 0.49665(5) 0.0609(2) Uani 1 1 d . . .
Cl1A Cl 0.38448(12) 0.3454(2) 0.5703(3) 0.0826(9) Uani 0.64 1 d P . .
Cl1B Cl 0.4054(3) 0.3912(7) 0.6018(5) 0.145(4) Uani 0.36 1 d P . .
Cl2A Cl 0.28915(12) 0.3234(3) 0.4490(3) 0.0826(10) Uani 0.60 1 d P . .
Cl2B Cl 0.3135(4) 0.3104(5) 0.4908(7) 0.178(5) Uani 0.40 1 d P . .
P1 P 0.31174(3) 0.60116(7) 0.56946(6) 0.0323(2) Uani 1 1 d . . .
P2 P 0.33689(5) 0.43121(9) 0.50975(10) 0.0660(4) Uani 1 1 d . . .
P3 P 0.32739(3) 0.59354(8) 0.40124(6) 0.0382(2) Uani 1 1 d . . .
N1 N 0.32335(14) 0.4876(2) 0.5815(3) 0.0556(10) Uani 1 1 d . . .
N2 N 0.34322(14) 0.4828(3) 0.4271(3) 0.0550(10) Uani 1 1 d . . .
N3 N 0.31418(10) 0.6455(2) 0.4777(2) 0.0376(7) Uani 1 1 d . . .
N4 N 0.26645(10) 0.6217(2) 0.5828(2) 0.0410(7) Uani 1 1 d . . .
N5 N 0.34072(10) 0.6627(3) 0.6616(2) 0.0463(8) Uani 1 1 d . . .
N6 N 0.29117(12) 0.5984(3) 0.2978(2) 0.0615(11) Uani 1 1 d . . .
N7 N 0.36308(10) 0.6580(3) 0.3751(2) 0.0447(8) Uani 1 1 d . . .
C1 C 0.31697(15) 0.6758(3) 0.7231(3) 0.0531(11) Uani 1 1 d . . .
H1A H 0.3260 0.7347 0.7590 0.064 Uiso 1 1 calc R . .
H1B H 0.3217 0.6214 0.7650 0.064 Uiso 1 1 calc R . .
C2 C 0.27034(14) 0.6823(3) 0.6614(3) 0.0468(9) Uani 1 1 d . . .
H2A H 0.2521 0.6585 0.6929 0.056 Uiso 1 1 calc R . .
H2B H 0.2624 0.7486 0.6423 0.056 Uiso 1 1 calc R . .
C3 C 0.22487(12) 0.6128(3) 0.5080(3) 0.0424(9) Uani 1 1 d . . .
H3A H 0.2290 0.5872 0.4539 0.051 Uiso 1 1 calc R . .
H3B H 0.2120 0.6765 0.4927 0.051 Uiso 1 1 calc R . .
C4 C 0.19509(11) 0.5477(3) 0.5330(2) 0.0348(7) Uani 1 1 d . . .
C5 C 0.16386(12) 0.5783(3) 0.5683(3) 0.0427(9) Uani 1 1 d . . .
H5 H 0.1583 0.6420 0.5796 0.051 Uiso 1 1 calc R . .
C6 C 0.14254(13) 0.4956(4) 0.5834(3) 0.0527(11) Uani 1 1 d . . .
H6 H 0.1205 0.4956 0.6062 0.063 Uiso 1 1 calc R . .
C7 C 0.16039(14) 0.4136(3) 0.5582(3) 0.0561(11) Uani 1 1 d . . .
H7 H 0.1522 0.3497 0.5611 0.067 Uiso 1 1 calc R . .
C8 C 0.19307(13) 0.4449(3) 0.5275(3) 0.0475(10) Uani 1 1 d . . .
H8 H 0.2102 0.4052 0.5072 0.057 Uiso 1 1 calc R . .
C9 C 0.1250(2) 0.5659(6) 0.3240(4) 0.090(2) Uani 1 1 d . . .
H9 H 0.1434 0.6083 0.3106 0.108 Uiso 1 1 calc R . .
C10 C 0.1249(2) 0.4660(7) 0.3158(4) 0.105(3) Uani 1 1 d . . .
H10 H 0.1431 0.4297 0.2954 0.126 Uiso 1 1 calc R . .
C11 C 0.0924(3) 0.4295(6) 0.3436(5) 0.109(3) Uani 1 1 d . . .
H11 H 0.0854 0.3646 0.3458 0.131 Uiso 1 1 calc R . .
C12 C 0.07282(17) 0.5075(7) 0.3673(4) 0.096(2) Uani 1 1 d . . .
H12 H 0.0500 0.5036 0.3875 0.115 Uiso 1 1 calc R . .
C13 C 0.0924(2) 0.5926(6) 0.3563(4) 0.0881(19) Uani 1 1 d . . .
H13 H 0.0854 0.6551 0.3680 0.106 Uiso 1 1 calc R . .
C14 C 0.38637(15) 0.6436(5) 0.7038(4) 0.0795(17) Uani 1 1 d . . .
H14A H 0.3982 0.6366 0.6566 0.119 Uiso 1 1 calc R . .
H14C H 0.3909 0.5850 0.7392 0.119 Uiso 1 1 calc R . .
H14B H 0.4002 0.6966 0.7434 0.119 Uiso 1 1 calc R . .
C15 C 0.30289(15) 0.6586(4) 0.2350(3) 0.0578(12) Uani 1 1 d . . .
H15A H 0.2910 0.7231 0.2318 0.069 Uiso 1 1 calc R . .
H15B H 0.2927 0.6307 0.1737 0.069 Uiso 1 1 calc R . .
C16 C 0.35143(15) 0.6616(4) 0.2750(3) 0.0564(11) Uani 1 1 d . . .
H16A H 0.3634 0.6066 0.2539 0.068 Uiso 1 1 calc R . .
H16B H 0.3619 0.7207 0.2570 0.068 Uiso 1 1 calc R . .
C17 C 0.40837(14) 0.6474(4) 0.4330(3) 0.0651(14) Uani 1 1 d . . .
H17A H 0.4180 0.5833 0.4238 0.078 Uiso 1 1 calc R . .
H17B H 0.4115 0.6528 0.4971 0.078 Uiso 1 1 calc R . .
C18 C 0.43589(13) 0.7211(4) 0.4124(3) 0.0560(12) Uani 1 1 d . . .
C19 C 0.43743(16) 0.8204(4) 0.4344(4) 0.0739(15) Uani 1 1 d . . .
H19 H 0.4210 0.8513 0.4631 0.089 Uiso 1 1 calc R . .
C20 C 0.4682(2) 0.8646(6) 0.4054(5) 0.107(3) Uani 1 1 d . . .
H20 H 0.4759 0.9297 0.4127 0.128 Uiso 1 1 calc R . .
C21 C 0.4851(2) 0.7949(7) 0.3641(4) 0.107(3) Uani 1 1 d . . .
H21 H 0.5058 0.8050 0.3386 0.128 Uiso 1 1 calc R . .
C22 C 0.46518(18) 0.7060(6) 0.3680(4) 0.0852(19) Uani 1 1 d . . .
H22 H 0.4705 0.6472 0.3451 0.102 Uiso 1 1 calc R . .
C23 C 0.5102(3) 0.7579(12) 0.6337(5) 0.137(5) Uani 1 1 d . . .
H23 H 0.4918 0.7773 0.6629 0.164 Uiso 1 1 calc R . .
C24 C 0.5390(3) 0.8174(7) 0.6119(6) 0.130(4) Uani 1 1 d . . .
H24 H 0.5433 0.8834 0.6238 0.156 Uiso 1 1 calc R . .
C25 C 0.55971(17) 0.7593(7) 0.5694(5) 0.095(2) Uani 1 1 d . . .
H25 H 0.5806 0.7798 0.5473 0.114 Uiso 1 1 calc R . .
C26 C 0.5449(2) 0.6682(6) 0.5651(5) 0.095(2) Uani 1 1 d . . .
H26 H 0.5540 0.6154 0.5400 0.114 Uiso 1 1 calc R . .
C27 C 0.5140(2) 0.6655(8) 0.6040(5) 0.116(3) Uani 1 1 d . . .
H27 H 0.4986 0.6113 0.6092 0.140 Uiso 1 1 calc R . .
C28 C 0.24889(15) 0.5575(4) 0.2727(3) 0.0695(15) Uani 1 1 d . . .
H28A H 0.2473 0.5197 0.3230 0.104 Uiso 1 1 calc R . .
H28B H 0.2431 0.5168 0.2196 0.104 Uiso 1 1 calc R . .
H28C H 0.2281 0.6087 0.2587 0.104 Uiso 1 1 calc R . .


_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
Fe1 C4 2.034(3) . ?
Fe1 C5 2.039(4) . ?
Fe1 C6 2.042(4) . ?
Fe1 C7 2.037(4) . ?
Fe1 C8 2.035(4) . ?
Fe1 C9 2.024(6) . ?
Fe1 C10 2.030(6) . ?
Fe1 C11 2.025(6) . ?
Fe1 C12 2.028(5) . ?
Fe2 C18 2.029(4) . ?
Fe2 C19 2.041(5) . ?
Fe2 C20 2.026(6) . ?
Fe2 C21 2.028(6) . ?
Fe2 C22 2.023(6) . ?
Fe2 C23 2.013(7) . ?
Fe2 C24 2.022(7) . ?
Fe2 C25 2.017(5) . ?
Fe2 C26 2.017(6) . ?
Fe2 C27 2.012(7) . ?
Cl1A P2 1.934(4) . ?
Cl2A P2 2.137(4) . ?
Cl1B P2 2.288(8) . ?
Cl2B P2 1.821(8) . ?
P1 N1 1.610(3) . ?
P1 N3 1.587(3) . ?
P1 N4 1.632(3) . ?
P1 N5 1.647(3) . ?
P2 N1 1.561(4) . ?
P2 N2 1.555(4) . ?
P3 N2 1.620(4) . ?
P3 N3 1.587(3) . ?
P3 N6 1.629(4) . ?
P3 N7 1.657(3) . ?
N4 C2 1.450(5) . ?
N4 C3 1.460(5) . ?
N5 C1 1.464(5) . ?
N6 C15 1.444(6) . ?
N6 C28 1.441(6) . ?
N7 C16 1.466(5) . ?
N7 C17 1.463(5) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C1 1.509(6) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C3 1.497(5) . ?
C4 C5 1.414(5) . ?
C4 C8 1.422(5) . ?
C5 C6 1.411(6) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C6 1.404(7) . ?
C7 C8 1.415(6) . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C9 C10 1.385(10) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C10 1.406(11) . ?
C11 H11 0.9300 . ?
C12 C11 1.380(10) . ?
C12 H12 0.9300 . ?
C13 Fe1 2.036(6) . ?
C13 C9 1.408(9) . ?
C13 C12 1.387(9) . ?
C13 H13 0.9300 . ?
C14 N5 1.453(6) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C15 1.516(6) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C17 1.485(6) . ?
C18 C19 1.410(8) . ?
C18 C22 1.410(7) . ?
C19 C20 1.408(8) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C20 1.389(11) . ?
C21 H21 0.9300 . ?
C22 C21 1.409(10) . ?
C22 H22 0.9300 . ?
C23 C24 1.400(13) . ?
C23 C27 1.379(13) . ?
C23 H23 0.9300 . ?
C24 C25 1.380(11) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 C25 1.345(10) . ?
C26 C27 1.378(10) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?

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
C4 Fe1 C5 40.62(14) . . ?
C4 Fe1 C6 68.44(15) . . ?
C4 Fe1 C7 68.68(16) . . ?
C4 Fe1 C8 40.90(15) . . ?
C4 Fe1 C13 123.8(2) . . ?
C5 Fe1 C6 40.46(16) . . ?
C7 Fe1 C5 68.01(18) . . ?
C7 Fe1 C6 40.26(19) . . ?
C8 Fe1 C5 68.14(17) . . ?
C8 Fe1 C6 68.05(18) . . ?
C8 Fe1 C7 40.67(17) . . ?
C8 Fe1 C13 160.3(3) . . ?
C9 Fe1 C4 106.8(2) . . ?
C9 Fe1 C5 121.9(3) . . ?
C9 Fe1 C6 157.8(3) . . ?
C9 Fe1 C7 160.2(3) . . ?
C9 Fe1 C8 123.4(2) . . ?
C9 Fe1 C10 39.9(3) . . ?
C9 Fe1 C11 67.6(3) . . ?
C9 Fe1 C12 67.2(3) . . ?
C9 Fe1 C13 40.6(3) . . ?
C10 Fe1 C4 120.6(3) . . ?
C10 Fe1 C5 156.3(3) . . ?
C10 Fe1 C6 161.4(3) . . ?
C10 Fe1 C7 124.5(3) . . ?
C10 Fe1 C8 107.2(3) . . ?
C10 Fe1 C13 67.8(3) . . ?
C11 Fe1 C4 156.7(3) . . ?
C11 Fe1 C5 161.7(3) . . ?
C11 Fe1 C6 125.3(3) . . ?
C11 Fe1 C7 108.5(3) . . ?
C11 Fe1 C8 121.8(3) . . ?
C11 Fe1 C10 40.6(3) . . ?
C11 Fe1 C12 39.8(3) . . ?
C11 Fe1 C13 67.6(3) . . ?
C12 Fe1 C4 161.0(3) . . ?
C12 Fe1 C5 125.8(3) . . ?
C12 Fe1 C6 109.9(2) . . ?
C12 Fe1 C7 123.2(3) . . ?
C12 Fe1 C8 157.6(3) . . ?
C12 Fe1 C10 67.2(3) . . ?
C12 Fe1 C13 39.9(3) . . ?
C13 Fe1 C5 108.4(2) . . ?
C13 Fe1 C6 122.8(2) . . ?
C13 Fe1 C7 157.8(3) . . ?
C18 Fe2 C19 40.5(2) . . ?
C20 Fe2 C18 68.4(2) . . ?
C20 Fe2 C19 40.5(2) . . ?
C20 Fe2 C21 40.1(3) . . ?
C21 Fe2 C18 68.6(2) . . ?
C21 Fe2 C19 67.9(3) . . ?
C22 Fe2 C18 40.72(19) . . ?
C22 Fe2 C19 67.8(3) . . ?
C22 Fe2 C20 67.8(3) . . ?
C22 Fe2 C21 40.7(3) . . ?
C23 Fe2 C18 118.7(3) . . ?
C23 Fe2 C19 108.4(3) . . ?
C23 Fe2 C20 127.8(5) . . ?
C23 Fe2 C21 165.0(6) . . ?
C23 Fe2 C22 152.9(5) . . ?
C23 Fe2 C24 40.6(4) . . ?
C23 Fe2 C25 67.2(3) . . ?
C23 Fe2 C26 66.9(3) . . ?
C24 Fe2 C18 153.2(4) . . ?
C24 Fe2 C19 119.9(3) . . ?
C24 Fe2 C20 108.9(4) . . ?
C24 Fe2 C21 127.5(4) . . ?
C24 Fe2 C22 165.0(4) . . ?
C25 Fe2 C18 164.6(3) . . ?
C25 Fe2 C19 154.2(3) . . ?
C25 Fe2 C20 120.6(3) . . ?
C25 Fe2 C21 109.4(3) . . ?
C25 Fe2 C22 127.9(3) . . ?
C25 Fe2 C24 39.9(3) . . ?
C25 Fe2 C26 38.9(3) . . ?
C26 Fe2 C18 127.8(3) . . ?
C26 Fe2 C19 165.0(3) . . ?
C26 Fe2 C20 153.5(3) . . ?
C26 Fe2 C21 120.3(3) . . ?
C26 Fe2 C22 109.3(3) . . ?
C26 Fe2 C24 66.6(3) . . ?
C27 Fe2 C18 107.8(3) . . ?
C27 Fe2 C19 127.4(3) . . ?
C27 Fe2 C20 165.0(4) . . ?
C27 Fe2 C21 153.6(5) . . ?
C27 Fe2 C22 119.4(4) . . ?
C27 Fe2 C23 40.1(4) . . ?
C27 Fe2 C24 67.6(4) . . ?
C27 Fe2 C25 66.8(3) . . ?
C27 Fe2 C26 40.0(3) . . ?
N1 P1 N4 110.57(19) . . ?
N1 P1 N5 111.1(2) . . ?
N3 P1 N1 113.05(17) . . ?
N3 P1 N4 113.92(17) . . ?
N3 P1 N5 112.33(18) . . ?
N4 P1 N5 94.48(17) . . ?
Cl1A P2 Cl2A 98.09(16) . . ?
Cl2A P2 Cl1B 121.8(3) . . ?
Cl2B P2 Cl1A 75.4(4) . . ?
Cl2B P2 Cl1B 98.9(5) . . ?
N1 P2 Cl1A 111.1(2) . . ?
N1 P2 Cl1B 99.1(3) . . ?
N1 P2 Cl2A 107.3(2) . . ?
N1 P2 Cl2B 110.6(3) . . ?
N2 P2 Cl1A 110.3(2) . . ?
N2 P2 Cl1B 102.8(3) . . ?
N2 P2 Cl2A 105.0(2) . . ?
N2 P2 Cl2B 117.9(4) . . ?
N2 P2 N1 122.01(19) . . ?
N2 P3 N6 110.1(2) . . ?
N2 P3 N7 111.56(19) . . ?
N3 P3 N2 113.31(17) . . ?
N3 P3 N6 114.5(2) . . ?
N3 P3 N7 111.51(18) . . ?
N6 P3 N7 94.49(18) . . ?
P2 N1 P1 121.5(2) . . ?
P2 N2 P3 120.5(2) . . ?
P1 N3 P3 128.6(2) . . ?
C2 N4 P1 114.1(3) . . ?
C2 N4 C3 119.3(3) . . ?
C3 N4 P1 123.0(3) . . ?
C1 N5 P1 110.3(3) . . ?
C14 N5 P1 119.3(3) . . ?
C14 N5 C1 117.5(4) . . ?
C15 N6 P3 114.0(3) . . ?
C28 N6 P3 123.8(3) . . ?
C28 N6 C15 121.7(4) . . ?
C16 N7 P3 110.2(3) . . ?
C17 N7 P3 118.3(3) . . ?
C17 N7 C16 118.2(3) . . ?
N5 C1 C2 105.9(3) . . ?
N5 C1 H1A 110.5 . . ?
N5 C1 H1B 110.5 . . ?
C2 C1 H1A 110.5 . . ?
C2 C1 H1B 110.5 . . ?
H1A C1 H1B 108.7 . . ?
N4 C2 C1 104.9(3) . . ?
N4 C2 H2A 110.8 . . ?
N4 C2 H2B 110.8 . . ?
C1 C2 H2A 110.8 . . ?
C1 C2 H2B 110.8 . . ?
H2A C2 H2B 108.8 . . ?
N4 C3 C4 112.1(3) . . ?
N4 C3 H3A 109.2 . . ?
N4 C3 H3B 109.2 . . ?
C4 C3 H3A 109.2 . . ?
C4 C3 H3B 109.2 . . ?
H3A C3 H3B 107.9 . . ?
C3 C4 Fe1 126.5(3) . . ?
C5 C4 Fe1 69.9(2) . . ?
C5 C4 C3 125.6(3) . . ?
C5 C4 C8 107.2(3) . . ?
C8 C4 Fe1 69.6(2) . . ?
C8 C4 C3 127.2(3) . . ?
Fe1 C5 H5 126.4 . . ?
C4 C5 Fe1 69.5(2) . . ?
C4 C5 H5 125.8 . . ?
C6 C5 Fe1 69.9(2) . . ?
C6 C5 C4 108.5(4) . . ?
C6 C5 H5 125.8 . . ?
Fe1 C6 H6 126.3 . . ?
C5 C6 Fe1 69.7(2) . . ?
C5 C6 H6 125.9 . . ?
C7 C6 Fe1 69.7(3) . . ?
C7 C6 C5 108.2(4) . . ?
C7 C6 H6 125.9 . . ?
Fe1 C7 H7 126.0 . . ?
C6 C7 Fe1 70.1(3) . . ?
C6 C7 C8 108.1(4) . . ?
C6 C7 H7 126.0 . . ?
C8 C7 Fe1 69.6(2) . . ?
C8 C7 H7 126.0 . . ?
Fe1 C8 H8 126.4 . . ?
C7 C8 Fe1 69.7(2) . . ?
C4 C8 Fe1 69.5(2) . . ?
C4 C8 H8 125.9 . . ?
C7 C8 C4 108.1(4) . . ?
C7 C8 H8 125.9 . . ?
Fe1 C9 H9 125.4 . . ?
C10 C9 Fe1 70.2(4) . . ?
C10 C9 C13 108.6(7) . . ?
C10 C9 H9 125.7 . . ?
C13 C9 Fe1 70.2(3) . . ?
C13 C9 H9 125.7 . . ?
Fe1 C10 H10 126.1 . . ?
C9 C10 Fe1 69.8(4) . . ?
C9 C10 C11 107.7(7) . . ?
C9 C10 H10 126.2 . . ?
C11 C10 Fe1 69.5(4) . . ?
C11 C10 H10 126.2 . . ?
Fe1 C11 H11 125.3 . . ?
C10 C11 Fe1 69.9(4) . . ?
C10 C11 H11 126.2 . . ?
C12 C11 Fe1 70.2(3) . . ?
C12 C11 C10 107.5(7) . . ?
C12 C11 H11 126.2 . . ?
C11 C12 C13 109.6(7) . . ?
C11 C12 Fe1 70.0(3) . . ?
C13 C12 Fe1 70.4(3) . . ?
C11 C12 H12 125.2 . . ?
C13 C12 H12 125.2 . . ?
Fe1 C12 H12 126.0 . . ?
Fe1 C13 H13 125.9 . . ?
C9 C13 Fe1 69.2(3) . . ?
C9 C13 H13 126.7 . . ?
C12 C13 C9 106.7(7) . . ?
C12 C13 H13 126.7 . . ?
C12 C13 Fe1 69.7(3) . . ?
N5 C14 H14A 109.5 . . ?
N5 C14 H14B 109.5 . . ?
N5 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14C C14 H14B 109.5 . . ?
N6 C15 C16 104.7(4) . . ?
N6 C15 H15A 110.8 . . ?
N6 C15 H15B 110.8 . . ?
C16 C15 H15A 110.8 . . ?
C16 C15 H15B 110.8 . . ?
H15A C15 H15B 108.9 . . ?
N7 C16 C15 105.4(3) . . ?
N7 C16 H16A 110.7 . . ?
N7 C16 H16B 110.7 . . ?
C15 C16 H16A 110.7 . . ?
C15 C16 H16B 110.7 . . ?
H16A C16 H16B 108.8 . . ?
N7 C17 C18 112.7(4) . . ?
N7 C17 H17A 109.1 . . ?
N7 C17 H17B 109.1 . . ?
C18 C17 H17A 109.1 . . ?
C18 C17 H17B 109.1 . . ?
H17A C17 H17B 107.8 . . ?
C17 C18 Fe2 125.5(3) . . ?
C19 C18 Fe2 70.2(3) . . ?
C19 C18 C17 125.8(5) . . ?
C19 C18 C22 107.1(5) . . ?
C22 C18 Fe2 69.4(3) . . ?
C22 C18 C17 127.1(6) . . ?
Fe2 C19 H19 127.1 . . ?
C18 C19 Fe2 69.3(3) . . ?
C18 C19 H19 126.0 . . ?
C20 C19 Fe2 69.2(3) . . ?
C20 C19 C18 108.0(6) . . ?
C20 C19 H19 126.0 . . ?
Fe2 C20 H20 125.5 . . ?
C19 C20 Fe2 70.3(3) . . ?
C19 C20 H20 125.7 . . ?
C21 C20 Fe2 70.0(4) . . ?
C21 C20 C19 108.6(7) . . ?
C21 C20 H20 125.7 . . ?
Fe2 C21 H21 126.1 . . ?
C20 C21 Fe2 69.9(4) . . ?
C20 C21 C22 107.7(5) . . ?
C20 C21 H21 126.1 . . ?
C22 C21 Fe2 69.4(3) . . ?
C22 C21 H21 126.1 . . ?
Fe2 C22 H22 126.1 . . ?
C18 C22 Fe2 69.9(3) . . ?
C18 C22 H22 125.7 . . ?
C21 C22 Fe2 69.9(4) . . ?
C21 C22 C18 108.5(7) . . ?
C21 C22 H22 125.7 . . ?
Fe2 C23 H23 125.5 . . ?
C24 C23 Fe2 70.0(4) . . ?
C24 C23 H23 126.1 . . ?
C27 C23 C24 107.7(7) . . ?
C27 C23 H23 126.1 . . ?
C27 C23 Fe2 69.9(4) . . ?
Fe2 C24 H24 125.8 . . ?
C23 C24 Fe2 69.4(5) . . ?
C23 C24 H24 126.6 . . ?
C25 C24 Fe2 69.8(4) . . ?
C25 C24 C23 106.8(9) . . ?
C25 C24 H24 126.6 . . ?
Fe2 C25 H25 125.3 . . ?
C24 C25 Fe2 70.2(4) . . ?
C24 C25 H25 125.5 . . ?
C26 C25 Fe2 70.5(3) . . ?
C26 C25 C24 109.0(7) . . ?
C26 C25 H25 125.5 . . ?
Fe2 C26 H26 125.8 . . ?
C25 C26 Fe2 70.5(4) . . ?
C25 C26 C27 109.0(8) . . ?
C25 C26 H26 125.5 . . ?
C27 C26 Fe2 69.8(4) . . ?
C27 C26 H26 125.5 . . ?
Fe2 C27 H27 125.1 . . ?
C23 C27 Fe2 70.0(5) . . ?
C23 C27 H27 126.3 . . ?
C26 C27 Fe2 70.2(4) . . ?
C26 C27 C23 107.5(8) . . ?
C26 C27 H27 126.3 . . ?
N6 C28 H28A 109.5 . . ?
N6 C28 H28B 109.5 . . ?
N6 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?

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
C5 Fe1 C4 C3 -120.0(4) . . . . ?
C5 Fe1 C4 C8 118.2(3) . . . . ?
C6 Fe1 C4 C3 -157.3(4) . . . . ?
C6 Fe1 C4 C5 -37.3(2) . . . . ?
C6 Fe1 C4 C8 80.9(3) . . . . ?
C7 Fe1 C4 C3 159.3(4) . . . . ?
C7 Fe1 C4 C5 -80.7(3) . . . . ?
C7 Fe1 C4 C8 37.5(3) . . . . ?
C8 Fe1 C4 C3 121.8(4) . . . . ?
C8 Fe1 C4 C5 -118.2(3) . . . . ?
C9 Fe1 C4 C3 -0.3(4) . . . . ?
C9 Fe1 C4 C5 119.7(3) . . . . ?
C9 Fe1 C4 C8 -122.1(3) . . . . ?
C10 Fe1 C4 C3 40.9(5) . . . . ?
C10 Fe1 C4 C5 161.0(4) . . . . ?
C10 Fe1 C4 C8 -80.9(4) . . . . ?
C11 Fe1 C4 C3 71.9(8) . . . . ?
C11 Fe1 C4 C5 -168.1(7) . . . . ?
C11 Fe1 C4 C8 -49.9(7) . . . . ?
C12 Fe1 C4 C3 -68.6(8) . . . . ?
C12 Fe1 C4 C5 51.4(8) . . . . ?
C12 Fe1 C4 C8 169.6(7) . . . . ?
C13 Fe1 C4 C3 -41.4(4) . . . . ?
C13 Fe1 C4 C5 78.6(3) . . . . ?
C13 Fe1 C4 C8 -163.2(3) . . . . ?
C4 Fe1 C5 C6 -119.8(3) . . . . ?
C6 Fe1 C5 C4 119.8(3) . . . . ?
C7 Fe1 C5 C4 82.4(3) . . . . ?
C7 Fe1 C5 C6 -37.4(3) . . . . ?
C8 Fe1 C5 C4 38.4(2) . . . . ?
C8 Fe1 C5 C6 -81.4(3) . . . . ?
C9 Fe1 C5 C4 -78.3(3) . . . . ?
C9 Fe1 C5 C6 161.9(3) . . . . ?
C10 Fe1 C5 C4 -44.4(7) . . . . ?
C10 Fe1 C5 C6 -164.2(6) . . . . ?
C11 Fe1 C5 C4 164.9(8) . . . . ?
C11 Fe1 C5 C6 45.1(9) . . . . ?
C12 Fe1 C5 C4 -161.7(3) . . . . ?
C12 Fe1 C5 C6 78.5(4) . . . . ?
C13 Fe1 C5 C4 -120.9(3) . . . . ?
C13 Fe1 C5 C6 119.3(3) . . . . ?
C4 Fe1 C6 C5 37.4(2) . . . . ?
C4 Fe1 C6 C7 -82.1(3) . . . . ?
C5 Fe1 C6 C7 -119.5(3) . . . . ?
C7 Fe1 C6 C5 119.5(3) . . . . ?
C8 Fe1 C6 C5 81.6(3) . . . . ?
C8 Fe1 C6 C7 -37.9(2) . . . . ?
C9 Fe1 C6 C5 -44.1(7) . . . . ?
C9 Fe1 C6 C7 -163.6(6) . . . . ?
C10 Fe1 C6 C5 160.1(7) . . . . ?
C10 Fe1 C6 C7 40.6(8) . . . . ?
C11 Fe1 C6 C5 -164.2(4) . . . . ?
C11 Fe1 C6 C7 76.4(4) . . . . ?
C12 Fe1 C6 C5 -122.3(3) . . . . ?
C12 Fe1 C6 C7 118.2(4) . . . . ?
C13 Fe1 C6 C5 -79.8(4) . . . . ?
C13 Fe1 C6 C7 160.7(3) . . . . ?
C4 Fe1 C7 C6 81.4(3) . . . . ?
C4 Fe1 C7 C8 -37.7(2) . . . . ?
C5 Fe1 C7 C6 37.5(2) . . . . ?
C5 Fe1 C7 C8 -81.6(3) . . . . ?
C6 Fe1 C7 C8 -119.1(4) . . . . ?
C8 Fe1 C7 C6 119.1(4) . . . . ?
C9 Fe1 C7 C6 161.6(7) . . . . ?
C9 Fe1 C7 C8 42.4(8) . . . . ?
C10 Fe1 C7 C6 -165.4(4) . . . . ?
C10 Fe1 C7 C8 75.5(4) . . . . ?
C11 Fe1 C7 C6 -123.3(4) . . . . ?
C11 Fe1 C7 C8 117.6(4) . . . . ?
C12 Fe1 C7 C6 -81.8(4) . . . . ?
C12 Fe1 C7 C8 159.1(4) . . . . ?
C13 Fe1 C7 C6 -47.3(7) . . . . ?
C13 Fe1 C7 C8 -166.5(6) . . . . ?
C4 Fe1 C8 C7 119.4(4) . . . . ?
C5 Fe1 C8 C4 -38.2(2) . . . . ?
C5 Fe1 C8 C7 81.3(3) . . . . ?
C6 Fe1 C8 C4 -81.9(3) . . . . ?
C6 Fe1 C8 C7 37.5(3) . . . . ?
C7 Fe1 C8 C4 -119.4(4) . . . . ?
C9 Fe1 C8 C4 76.4(4) . . . . ?
C9 Fe1 C8 C7 -164.1(4) . . . . ?
C10 Fe1 C8 C4 117.2(4) . . . . ?
C10 Fe1 C8 C7 -123.4(4) . . . . ?
C11 Fe1 C8 C4 159.1(4) . . . . ?
C11 Fe1 C8 C7 -81.5(4) . . . . ?
C12 Fe1 C8 C4 -171.1(6) . . . . ?
C12 Fe1 C8 C7 -51.7(7) . . . . ?
C13 Fe1 C8 C4 45.3(8) . . . . ?
C13 Fe1 C8 C7 164.8(7) . . . . ?
C4 Fe1 C9 C10 117.9(4) . . . . ?
C4 Fe1 C9 C13 -122.8(4) . . . . ?
C5 Fe1 C9 C10 159.6(4) . . . . ?
C5 Fe1 C9 C13 -81.1(5) . . . . ?
C6 Fe1 C9 C10 -168.2(5) . . . . ?
C6 Fe1 C9 C13 -49.0(8) . . . . ?
C7 Fe1 C9 C10 44.5(9) . . . . ?
C7 Fe1 C9 C13 163.7(6) . . . . ?
C8 Fe1 C9 C10 76.2(5) . . . . ?
C8 Fe1 C9 C13 -164.5(4) . . . . ?
C10 Fe1 C9 C13 119.3(6) . . . . ?
C11 Fe1 C9 C10 -38.0(5) . . . . ?
C11 Fe1 C9 C13 81.3(5) . . . . ?
C12 Fe1 C9 C13 38.0(4) . . . . ?
C12 Fe1 C9 C10 -81.3(5) . . . . ?
C13 Fe1 C9 C10 -119.3(6) . . . . ?
C4 Fe1 C10 C9 -79.4(5) . . . . ?
C4 Fe1 C10 C11 161.7(5) . . . . ?
C5 Fe1 C10 C9 -47.4(8) . . . . ?
C5 Fe1 C10 C11 -166.3(6) . . . . ?
C6 Fe1 C10 C9 166.0(6) . . . . ?
C6 Fe1 C10 C11 47.2(10) . . . . ?
C7 Fe1 C10 C9 -163.3(4) . . . . ?
C7 Fe1 C10 C11 77.8(5) . . . . ?
C8 Fe1 C10 C9 -122.0(4) . . . . ?
C8 Fe1 C10 C11 119.2(5) . . . . ?
C9 Fe1 C10 C11 -118.9(7) . . . . ?
C11 Fe1 C10 C9 118.9(7) . . . . ?
C12 Fe1 C10 C9 81.1(5) . . . . ?
C12 Fe1 C10 C11 -37.7(5) . . . . ?
C13 Fe1 C10 C9 37.8(4) . . . . ?
C13 Fe1 C10 C11 -81.1(5) . . . . ?
C4 Fe1 C11 C10 -42.9(10) . . . . ?
C4 Fe1 C11 C12 -161.1(5) . . . . ?
C5 Fe1 C11 C10 162.4(7) . . . . ?
C5 Fe1 C11 C12 44.2(11) . . . . ?
C6 Fe1 C11 C10 -163.3(5) . . . . ?
C6 Fe1 C11 C12 78.5(5) . . . . ?
C7 Fe1 C11 C10 -121.8(5) . . . . ?
C7 Fe1 C11 C12 120.0(5) . . . . ?
C8 Fe1 C11 C10 -79.0(6) . . . . ?
C8 Fe1 C11 C12 162.8(4) . . . . ?
C9 Fe1 C11 C10 37.5(5) . . . . ?
C9 Fe1 C11 C12 -80.7(5) . . . . ?
C10 Fe1 C11 C12 -118.2(7) . . . . ?
C12 Fe1 C11 C10 118.2(7) . . . . ?
C13 Fe1 C11 C10 81.5(5) . . . . ?
C13 Fe1 C11 C12 -36.7(5) . . . . ?
C4 Fe1 C12 C11 156.8(7) . . . . ?
C4 Fe1 C12 C13 36.3(10) . . . . ?
C5 Fe1 C12 C11 -164.3(5) . . . . ?
C5 Fe1 C12 C13 75.1(5) . . . . ?
C6 Fe1 C12 C11 -121.8(5) . . . . ?
C6 Fe1 C12 C13 117.7(4) . . . . ?
C7 Fe1 C12 C11 -78.9(6) . . . . ?
C7 Fe1 C12 C13 160.5(4) . . . . ?
C8 Fe1 C12 C11 -41.3(9) . . . . ?
C8 Fe1 C12 C13 -161.8(5) . . . . ?
C9 Fe1 C12 C11 81.9(5) . . . . ?
C9 Fe1 C12 C13 -38.6(4) . . . . ?
C10 Fe1 C12 C11 38.4(5) . . . . ?
C10 Fe1 C12 C13 -82.1(5) . . . . ?
C11 Fe1 C12 C13 -120.5(7) . . . . ?
C13 Fe1 C12 C11 120.5(7) . . . . ?
C19 Fe2 C18 C17 -120.4(6) . . . . ?
C19 Fe2 C18 C22 118.0(5) . . . . ?
C20 Fe2 C18 C17 -157.7(6) . . . . ?
C20 Fe2 C18 C19 -37.3(4) . . . . ?
C20 Fe2 C18 C22 80.7(5) . . . . ?
C21 Fe2 C18 C17 159.1(6) . . . . ?
C21 Fe2 C18 C19 -80.5(4) . . . . ?
C21 Fe2 C18 C22 37.5(5) . . . . ?
C22 Fe2 C18 C17 121.6(7) . . . . ?
C22 Fe2 C18 C19 -118.0(5) . . . . ?
C23 Fe2 C18 C17 -35.3(7) . . . . ?
C23 Fe2 C18 C19 85.1(6) . . . . ?
C23 Fe2 C18 C22 -156.9(6) . . . . ?
C24 Fe2 C18 C17 -68.4(9) . . . . ?
C24 Fe2 C18 C19 52.0(8) . . . . ?
C24 Fe2 C18 C22 170.0(8) . . . . ?
C25 Fe2 C18 C17 73.6(10) . . . . ?
C25 Fe2 C18 C19 -166.0(9) . . . . ?
C25 Fe2 C18 C22 -48.0(10) . . . . ?
C26 Fe2 C18 C17 46.6(6) . . . . ?
C26 Fe2 C18 C19 167.0(4) . . . . ?
C26 Fe2 C18 C22 -75.0(5) . . . . ?
C27 Fe2 C18 C17 6.9(6) . . . . ?
C27 Fe2 C18 C19 127.3(5) . . . . ?
C27 Fe2 C18 C22 -114.7(5) . . . . ?
C18 Fe2 C19 C20 -119.8(6) . . . . ?
C20 Fe2 C19 C18 119.8(6) . . . . ?
C21 Fe2 C19 C18 82.6(4) . . . . ?
C21 Fe2 C19 C20 -37.3(5) . . . . ?
C22 Fe2 C19 C18 38.5(3) . . . . ?
C22 Fe2 C19 C20 -81.4(5) . . . . ?
C23 Fe2 C19 C18 -112.9(6) . . . . ?
C23 Fe2 C19 C20 127.3(7) . . . . ?
C24 Fe2 C19 C18 -155.8(5) . . . . ?
C24 Fe2 C19 C20 84.3(7) . . . . ?
C25 Fe2 C19 C18 171.5(5) . . . . ?
C25 Fe2 C19 C20 51.7(8) . . . . ?
C26 Fe2 C19 C18 -43.5(12) . . . . ?
C26 Fe2 C19 C20 -163.4(11) . . . . ?
C27 Fe2 C19 C18 -72.4(6) . . . . ?
C27 Fe2 C19 C20 167.8(6) . . . . ?
C18 Fe2 C20 C19 37.3(4) . . . . ?
C18 Fe2 C20 C21 -82.1(4) . . . . ?
C19 Fe2 C20 C21 -119.4(6) . . . . ?
C21 Fe2 C20 C19 119.4(6) . . . . ?
C22 Fe2 C20 C19 81.4(4) . . . . ?
C22 Fe2 C20 C21 -38.0(4) . . . . ?
C23 Fe2 C20 C19 -72.9(6) . . . . ?
C23 Fe2 C20 C21 167.7(5) . . . . ?
C24 Fe2 C20 C19 -114.3(6) . . . . ?
C24 Fe2 C20 C21 126.3(5) . . . . ?
C25 Fe2 C20 C19 -156.6(4) . . . . ?
C25 Fe2 C20 C21 84.0(5) . . . . ?
C26 Fe2 C20 C19 170.5(6) . . . . ?
C26 Fe2 C20 C21 51.1(9) . . . . ?
C27 Fe2 C20 C19 -40.6(15) . . . . ?
C27 Fe2 C20 C21 -160.0(12) . . . . ?
C18 Fe2 C21 C20 81.4(4) . . . . ?
C18 Fe2 C21 C22 -37.5(4) . . . . ?
C19 Fe2 C21 C20 37.6(4) . . . . ?
C19 Fe2 C21 C22 -81.3(4) . . . . ?
C24 Fe2 C21 C20 -73.8(5) . . . . ?
C20 Fe2 C21 C22 -118.9(5) . . . . ?
C22 Fe2 C21 C20 118.9(5) . . . . ?
C23 Fe2 C21 C20 -40.7(13) . . . . ?
C23 Fe2 C21 C22 -159.6(10) . . . . ?
C24 Fe2 C21 C22 167.2(5) . . . . ?
C25 Fe2 C21 C22 126.2(5) . . . . ?
C25 Fe2 C21 C20 -114.9(5) . . . . ?
C26 Fe2 C21 C20 -156.3(4) . . . . ?
C26 Fe2 C21 C22 84.7(5) . . . . ?
C27 Fe2 C21 C20 168.5(6) . . . . ?
C27 Fe2 C21 C22 49.6(8) . . . . ?
C18 Fe2 C22 C21 119.6(6) . . . . ?
C19 Fe2 C22 C18 -38.3(3) . . . . ?
C19 Fe2 C22 C21 81.4(5) . . . . ?
C20 Fe2 C22 C18 -82.2(4) . . . . ?
C20 Fe2 C22 C21 37.5(4) . . . . ?
C21 Fe2 C22 C18 -119.6(6) . . . . ?
C23 Fe2 C22 C18 49.0(9) . . . . ?
C23 Fe2 C22 C21 168.6(7) . . . . ?
C24 Fe2 C22 C18 -162.3(12) . . . . ?
C24 Fe2 C22 C21 -42.7(15) . . . . ?
C25 Fe2 C22 C18 165.5(4) . . . . ?
C25 Fe2 C22 C21 -74.9(6) . . . . ?
C26 Fe2 C22 C18 126.0(4) . . . . ?
C26 Fe2 C22 C21 -114.4(5) . . . . ?
C27 Fe2 C22 C18 83.2(5) . . . . ?
C27 Fe2 C22 C21 -157.1(5) . . . . ?
C18 Fe2 C23 C24 -157.8(5) . . . . ?
C18 Fe2 C23 C27 83.7(5) . . . . ?
C19 Fe2 C23 C24 -114.8(6) . . . . ?
C19 Fe2 C23 C27 126.7(5) . . . . ?
C20 Fe2 C23 C24 -73.9(6) . . . . ?
C20 Fe2 C23 C27 167.6(4) . . . . ?
C21 Fe2 C23 C24 -41.8(14) . . . . ?
C21 Fe2 C23 C27 -160.3(10) . . . . ?
C22 Fe2 C23 C24 168.1(6) . . . . ?
C22 Fe2 C23 C27 49.6(8) . . . . ?
C24 Fe2 C23 C27 -118.5(7) . . . . ?
C25 Fe2 C23 C24 38.0(5) . . . . ?
C25 Fe2 C23 C27 -80.5(5) . . . . ?
C26 Fe2 C23 C24 80.4(6) . . . . ?
C26 Fe2 C23 C27 -38.0(5) . . . . ?
C27 Fe2 C23 C24 118.5(7) . . . . ?
C18 Fe2 C24 C23 47.4(10) . . . . ?
C18 Fe2 C24 C25 165.3(5) . . . . ?
C19 Fe2 C24 C23 83.6(6) . . . . ?
C19 Fe2 C24 C25 -158.5(5) . . . . ?
C20 Fe2 C24 C23 126.7(6) . . . . ?
C20 Fe2 C24 C25 -115.5(6) . . . . ?
C21 Fe2 C24 C23 167.5(6) . . . . ?
C21 Fe2 C24 C25 -74.7(7) . . . . ?
C22 Fe2 C24 C23 -158.7(12) . . . . ?
C22 Fe2 C24 C25 -40.8(16) . . . . ?
C23 Fe2 C24 C25 117.8(8) . . . . ?
C25 Fe2 C24 C23 -117.8(8) . . . . ?
C26 Fe2 C24 C23 -81.3(6) . . . . ?
C26 Fe2 C24 C25 36.5(5) . . . . ?
C27 Fe2 C24 C23 -37.7(5) . . . . ?
C27 Fe2 C24 C25 80.1(6) . . . . ?
C18 Fe2 C25 C24 -154.4(9) . . . . ?
C18 Fe2 C25 C26 -34.8(12) . . . . ?
C19 Fe2 C25 C24 46.7(9) . . . . ?
C19 Fe2 C25 C26 166.4(6) . . . . ?
C20 Fe2 C25 C24 83.0(7) . . . . ?
C20 Fe2 C25 C26 -157.3(5) . . . . ?
C21 Fe2 C25 C24 125.8(7) . . . . ?
C21 Fe2 C25 C26 -114.6(5) . . . . ?
C22 Fe2 C25 C24 167.6(6) . . . . ?
C22 Fe2 C25 C26 -72.8(6) . . . . ?
C23 Fe2 C25 C24 -38.6(6) . . . . ?
C23 Fe2 C25 C26 81.0(6) . . . . ?
C24 Fe2 C25 C26 119.6(8) . . . . ?
C26 Fe2 C25 C24 -119.6(8) . . . . ?
C27 Fe2 C25 C24 -82.3(6) . . . . ?
C27 Fe2 C25 C26 37.3(5) . . . . ?
C18 Fe2 C26 C25 169.0(4) . . . . ?
C18 Fe2 C26 C27 -71.1(6) . . . . ?
C19 Fe2 C26 C25 -156.5(10) . . . . ?
C19 Fe2 C26 C27 -36.6(14) . . . . ?
C20 Fe2 C26 C25 48.1(10) . . . . ?
C20 Fe2 C26 C27 168.0(8) . . . . ?
C21 Fe2 C26 C25 83.6(6) . . . . ?
C21 Fe2 C26 C27 -156.5(6) . . . . ?
C22 Fe2 C26 C25 127.0(5) . . . . ?
C22 Fe2 C26 C27 -113.0(6) . . . . ?
C23 Fe2 C26 C25 -81.8(6) . . . . ?
C23 Fe2 C26 C27 38.1(6) . . . . ?
C24 Fe2 C26 C25 -37.4(5) . . . . ?
C24 Fe2 C26 C27 82.5(6) . . . . ?
C25 Fe2 C26 C27 119.9(8) . . . . ?
C27 Fe2 C26 C25 -119.9(8) . . . . ?
C18 Fe2 C27 C23 -113.7(6) . . . . ?
C18 Fe2 C27 C26 128.3(5) . . . . ?
C19 Fe2 C27 C23 -73.1(6) . . . . ?
C19 Fe2 C27 C26 168.8(5) . . . . ?
C20 Fe2 C27 C23 -41.0(14) . . . . ?
C20 Fe2 C27 C26 -159.1(11) . . . . ?
C21 Fe2 C27 C23 168.7(6) . . . . ?
C21 Fe2 C27 C26 50.7(9) . . . . ?
C22 Fe2 C27 C23 -156.5(5) . . . . ?
C22 Fe2 C27 C26 85.4(5) . . . . ?
C23 Fe2 C27 C26 -118.1(8) . . . . ?
C24 Fe2 C27 C23 38.2(5) . . . . ?
C24 Fe2 C27 C26 -79.9(6) . . . . ?
C25 Fe2 C27 C23 81.7(6) . . . . ?
C25 Fe2 C27 C26 -36.4(5) . . . . ?
C26 Fe2 C27 C23 118.1(8) . . . . ?
N3 P1 N1 P2 1.9(4) . . . . ?
N4 P1 N1 P2 131.0(3) . . . . ?
N5 P1 N1 P2 -125.5(3) . . . . ?
N1 P1 N3 P3 -1.7(3) . . . . ?
N4 P1 N3 P3 -129.1(2) . . . . ?
N5 P1 N3 P3 125.0(3) . . . . ?
N1 P1 N4 C2 116.1(3) . . . . ?
N1 P1 N4 C3 -85.6(4) . . . . ?
N3 P1 N4 C2 -115.3(3) . . . . ?
N3 P1 N4 C3 43.0(4) . . . . ?
N5 P1 N4 C2 1.5(3) . . . . ?
N5 P1 N4 C3 159.9(3) . . . . ?
N1 P1 N5 C1 -95.6(3) . . . . ?
N1 P1 N5 C14 45.0(4) . . . . ?
N3 P1 N5 C1 136.7(3) . . . . ?
N3 P1 N5 C14 -82.8(4) . . . . ?
N4 P1 N5 C1 18.5(3) . . . . ?
N4 P1 N5 C14 159.0(4) . . . . ?
Cl1A P2 Cl2A Cl2B 13.2(11) . . . . ?
Cl1B P2 Cl1A Cl2B 170.1(8) . . . . ?
Cl1B P2 Cl2A Cl2B 11.1(11) . . . . ?
Cl2A P2 Cl1A Cl2B -5.4(4) . . . . ?
Cl2A P2 Cl1A Cl1B -175.4(7) . . . . ?
Cl2B P2 Cl1A Cl1B -170.1(8) . . . . ?
N1 P2 Cl1A Cl1B -63.3(7) . . . . ?
N1 P2 Cl1A Cl2B 106.8(4) . . . . ?
N2 P2 Cl1A Cl1B 75.2(7) . . . . ?
N2 P2 Cl1A Cl2B -114.7(4) . . . . ?
Cl1A P2 N1 P1 137.5(3) . . . . ?
Cl2A P2 N1 P1 -116.3(3) . . . . ?
Cl1B P2 N1 P1 116.1(4) . . . . ?
Cl2B P2 N1 P1 -140.7(5) . . . . ?
N2 P2 N1 P1 4.7(5) . . . . ?
N1 P2 N2 P3 -11.6(5) . . . . ?
Cl2B P2 N2 P3 131.4(5) . . . . ?
Cl1A P2 N2 P3 -144.8(3) . . . . ?
Cl2A P2 N2 P3 110.5(3) . . . . ?
Cl1B P2 N2 P3 -121.1(4) . . . . ?
N3 P3 N2 P2 11.0(4) . . . . ?
N6 P3 N2 P2 -118.7(3) . . . . ?
N7 P3 N2 P2 137.8(3) . . . . ?
N2 P3 N3 P1 -4.5(3) . . . . ?
N6 P3 N3 P1 122.9(3) . . . . ?
N7 P3 N3 P1 -131.4(2) . . . . ?
N2 P3 N6 C15 -119.8(4) . . . . ?
N2 P3 N6 C28 68.0(5) . . . . ?
N3 P3 N6 C15 111.2(4) . . . . ?
N3 P3 N6 C28 -61.0(5) . . . . ?
N7 P3 N6 C15 -4.9(4) . . . . ?
N7 P3 N6 C28 -177.1(4) . . . . ?
N2 P3 N7 C16 97.0(3) . . . . ?
N2 P3 N7 C17 -43.4(4) . . . . ?
N3 P3 N7 C16 -135.2(3) . . . . ?
N3 P3 N7 C17 84.4(4) . . . . ?
N6 P3 N7 C16 -16.7(3) . . . . ?
N6 P3 N7 C17 -157.1(4) . . . . ?
P1 N4 C2 C1 -19.9(4) . . . . ?
C3 N4 C2 C1 -179.1(3) . . . . ?
P1 N4 C3 C4 126.8(3) . . . . ?
C2 N4 C3 C4 -76.0(5) . . . . ?
P1 N5 C1 C2 -32.1(4) . . . . ?
C14 N5 C1 C2 -173.4(4) . . . . ?
P3 N6 C15 C16 23.6(5) . . . . ?
C28 N6 C15 C16 -164.0(4) . . . . ?
P3 N7 C16 C15 31.9(5) . . . . ?
C17 N7 C16 C15 172.4(4) . . . . ?
P3 N7 C17 C18 -169.8(4) . . . . ?
C16 N7 C17 C18 52.9(6) . . . . ?
N4 C2 C1 N5 31.4(4) . . . . ?
Fe1 C4 C3 N4 -174.4(3) . . . . ?
C5 C4 C3 N4 95.4(4) . . . . ?
C8 C4 C3 N4 -83.5(5) . . . . ?
Fe1 C4 C5 C6 59.2(3) . . . . ?
C3 C4 C5 Fe1 121.1(4) . . . . ?
C3 C4 C5 C6 -179.7(4) . . . . ?
C8 C4 C5 Fe1 -59.8(3) . . . . ?
C8 C4 C5 C6 -0.6(5) . . . . ?
Fe1 C4 C8 C7 -59.3(3) . . . . ?
C3 C4 C8 Fe1 -120.9(4) . . . . ?
C3 C4 C8 C7 179.8(4) . . . . ?
C5 C4 C8 Fe1 60.0(3) . . . . ?
C5 C4 C8 C7 0.7(5) . . . . ?
Fe1 C5 C6 C7 59.2(3) . . . . ?
C4 C5 C6 Fe1 -59.0(3) . . . . ?
C4 C5 C6 C7 0.3(5) . . . . ?
Fe1 C7 C6 C5 -59.2(3) . . . . ?
C8 C7 C6 Fe1 59.4(3) . . . . ?
C8 C7 C6 C5 0.2(5) . . . . ?
Fe1 C7 C8 C4 59.1(3) . . . . ?
C6 C7 C8 Fe1 -59.7(3) . . . . ?
C6 C7 C8 C4 -0.6(5) . . . . ?
Fe1 C9 C10 C11 59.5(5) . . . . ?
C13 C9 C10 Fe1 -60.0(4) . . . . ?
C13 C9 C10 C11 -0.5(7) . . . . ?
Fe1 C11 C10 C9 -59.6(4) . . . . ?
C12 C11 C10 Fe1 60.4(5) . . . . ?
C12 C11 C10 C9 0.8(8) . . . . ?
Fe1 C12 C11 C10 -60.2(4) . . . . ?
C13 C12 C11 Fe1 59.4(4) . . . . ?
C13 C12 C11 C10 -0.8(7) . . . . ?
C9 C13 Fe1 C4 75.6(5) . . . . ?
C9 C13 Fe1 C5 117.9(4) . . . . ?
C9 C13 Fe1 C6 160.2(4) . . . . ?
C9 C13 Fe1 C7 -165.4(6) . . . . ?
C9 C13 Fe1 C8 41.5(9) . . . . ?
C9 C13 Fe1 C10 -37.2(4) . . . . ?
C9 C13 Fe1 C11 -81.2(5) . . . . ?
C9 C13 Fe1 C12 -117.8(7) . . . . ?
C12 C13 Fe1 C4 -166.6(4) . . . . ?
C12 C13 Fe1 C5 -124.3(4) . . . . ?
C12 C13 Fe1 C6 -82.0(5) . . . . ?
C12 C13 Fe1 C7 -47.6(9) . . . . ?
C12 C13 Fe1 C8 159.3(6) . . . . ?
C12 C13 Fe1 C9 117.8(7) . . . . ?
C12 C13 Fe1 C10 80.6(5) . . . . ?
C12 C13 Fe1 C11 36.6(5) . . . . ?
Fe1 C13 C9 C10 60.0(4) . . . . ?
C12 C13 C9 Fe1 -60.0(4) . . . . ?
C12 C13 C9 C10 0.0(7) . . . . ?
Fe1 C13 C12 C11 -59.2(5) . . . . ?
C9 C13 C12 Fe1 59.7(4) . . . . ?
C9 C13 C12 C11 0.5(7) . . . . ?
N7 C16 C15 N6 -33.6(5) . . . . ?
Fe2 C18 C17 N7 161.8(3) . . . . ?
C19 C18 C17 N7 71.7(6) . . . . ?
C22 C18 C17 N7 -108.4(6) . . . . ?
Fe2 C18 C19 C20 58.5(4) . . . . ?
C17 C18 C19 Fe2 120.1(5) . . . . ?
C17 C18 C19 C20 178.6(5) . . . . ?
C22 C18 C19 Fe2 -59.9(4) . . . . ?
C22 C18 C19 C20 -1.4(6) . . . . ?
Fe2 C18 C22 C21 -59.4(4) . . . . ?
C17 C18 C22 Fe2 -119.6(5) . . . . ?
C17 C18 C22 C21 -178.9(5) . . . . ?
C19 C18 C22 Fe2 60.4(4) . . . . ?
C19 C18 C22 C21 1.0(6) . . . . ?
Fe2 C19 C20 C21 59.8(5) . . . . ?
C18 C19 C20 Fe2 -58.6(4) . . . . ?
C18 C19 C20 C21 1.2(7) . . . . ?
Fe2 C21 C20 C19 -60.0(4) . . . . ?
C22 C21 C20 Fe2 59.4(5) . . . . ?
C22 C21 C20 C19 -0.6(8) . . . . ?
Fe2 C22 C21 C20 -59.6(5) . . . . ?
C18 C22 C21 Fe2 59.4(4) . . . . ?
C18 C22 C21 C20 -0.2(7) . . . . ?
Fe2 C23 C24 C25 -60.1(5) . . . . ?
C27 C23 C24 Fe2 60.1(5) . . . . ?
C27 C23 C24 C25 -0.1(8) . . . . ?
Fe2 C23 C27 C26 60.5(5) . . . . ?
C24 C23 C27 Fe2 -60.1(5) . . . . ?
C24 C23 C27 C26 0.4(8) . . . . ?
Fe2 C24 C25 C26 -60.1(5) . . . . ?
C23 C24 C25 Fe2 59.8(5) . . . . ?
C23 C24 C25 C26 -0.3(8) . . . . ?
Fe2 C26 C25 C24 59.9(5) . . . . ?
C27 C26 C25 Fe2 -59.4(5) . . . . ?
C27 C26 C25 C24 0.5(8) . . . . ?
Fe2 C26 C27 C23 -60.4(5) . . . . ?
C25 C26 C27 Fe2 59.8(5) . . . . ?
C25 C26 C27 C23 -0.6(8) . . . . ?

_diffrn_measured_fraction_theta_max 0.988
_diffrn_reflns_theta_full        28.41
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         1.245
_refine_diff_density_min         -0.947
_refine_diff_density_rms         0.091
####################################################################### 
# 
# 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_yasemin11_a
_database_code_depnum_ccdc_archive 'CCDC 1528115'
_audit_update_record             
;
2017-01-17 deposited with the CCDC.
2017-12-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H40 Cl2 Fe2 N7 P3'
_chemical_formula_sum            'C30 H40 Cl2 Fe2 N7 P3'
_chemical_formula_weight         774.22

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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'
Cl Cl 0.1480 0.1590 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3460 0.8440 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1020 0.0940 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.0597(3)
_cell_length_b                   12.0704(3)
_cell_length_c                   13.6777(4)
_cell_angle_alpha                94.870(3)
_cell_angle_beta                 94.937(3)
_cell_angle_gamma                118.558(4)
_cell_volume                     1724.11(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9030
_cell_measurement_theta_min      3.35
_cell_measurement_theta_max      28.30

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             800
_exptl_absorpt_coefficient_mu    1.168
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8581
_exptl_absorpt_correction_T_max  0.9157
_exptl_absorpt_process_details   'SADABS; Bruker, 2012'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            49941
_diffrn_reflns_av_R_equivalents  0.0387
_diffrn_reflns_av_sigmaI/netI    0.0256
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.35
_diffrn_reflns_theta_max         28.32
_reflns_number_total             8535
_reflns_number_gt                7113
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  
'WinGX publication routines (Farrugia, 1999) and PLATON (Spek, 2003)'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0653P)²+2.1152P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_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         8535
_refine_ls_number_parameters     399
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0670
_refine_ls_R_factor_gt           0.0547
_refine_ls_wR_factor_ref         0.1457
_refine_ls_wR_factor_gt          0.1347
_refine_ls_goodness_of_fit_ref   1.185
_refine_ls_restrained_S_all      1.185
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 0.21558(4) 0.45219(4) 0.28665(3) 0.03343(12) Uani 1 1 d . . .
Fe2 Fe -0.22109(4) 0.59351(4) 0.20013(3) 0.03091(12) Uani 1 1 d . . .
P1 P 0.26973(6) 0.98885(6) 0.34382(5) 0.02408(14) Uani 1 1 d . . .
P2 P 0.26370(7) 1.02966(7) 0.14856(5) 0.02783(16) Uani 1 1 d . . .
P3 P 0.44081(6) 0.96350(6) 0.22631(5) 0.02529(15) Uani 1 1 d . . .
Cl1 Cl 0.30485(10) 1.19635(8) 0.09777(7) 0.0498(2) Uani 1 1 d . . .
Cl2 Cl 0.10939(9) 0.91241(11) 0.04630(7) 0.0635(3) Uani 1 1 d . . .
N1 N 0.2177(3) 1.0349(3) 0.25211(18) 0.0359(6) Uani 1 1 d . . .
N2 N 0.3760(2) 0.9504(2) 0.32364(17) 0.0302(5) Uani 1 1 d . . .
N3 N 0.3717(3) 0.9974(3) 0.13459(18) 0.0392(6) Uani 1 1 d . . .
N4 N 0.1440(2) 0.8696(2) 0.37897(17) 0.0309(5) Uani 1 1 d . . .
N5 N 0.3270(3) 1.1022(3) 0.44076(19) 0.0385(6) Uani 1 1 d . . .
N6 N 0.5944(2) 1.0719(2) 0.2478(2) 0.0359(5) Uani 1 1 d . . .
N7 N 0.4457(2) 0.8321(2) 0.1928(2) 0.0323(5) Uani 1 1 d . . .
C1 C 0.3451(4) 1.0570(4) 0.5352(2) 0.0484(8) Uani 1 1 d . . .
H1A H 0.3808 1.1278 0.5888 0.058 Uiso 1 1 calc R . .
H1B H 0.4050 1.0253 0.5308 0.058 Uiso 1 1 calc R . .
C2 C 0.2185(4) 0.9511(4) 0.5579(2) 0.0511(9) Uani 1 1 d . . .
H2A H 0.2326 0.9257 0.6212 0.061 Uiso 1 1 calc R . .
H2B H 0.1590 0.9832 0.5631 0.061 Uiso 1 1 calc R . .
C3 C 0.1611(3) 0.8363(3) 0.4782(2) 0.0439(8) Uani 1 1 d . . .
H3A H 0.2162 0.7985 0.4783 0.053 Uiso 1 1 calc R . .
H3B H 0.0790 0.7734 0.4931 0.053 Uiso 1 1 calc R . .
C4 C 0.0641(3) 0.7574(3) 0.3035(2) 0.0360(6) Uani 1 1 d . . .
H4A H 0.0896 0.6931 0.3108 0.043 Uiso 1 1 calc R . .
H4B H 0.0778 0.7818 0.2380 0.043 Uiso 1 1 calc R . .
C5 C -0.0752(3) 0.7017(3) 0.3125(2) 0.0328(6) Uani 1 1 d . . .
C6 C -0.1572(3) 0.5799(3) 0.3400(2) 0.0381(7) Uani 1 1 d . . .
H6 H -0.1331 0.5210 0.3579 0.046 Uiso 1 1 calc R . .
C7 C -0.2824(3) 0.5648(4) 0.3351(3) 0.0475(8) Uani 1 1 d . . .
H7 H -0.3545 0.4938 0.3484 0.057 Uiso 1 1 calc R . .
C8 C -0.2776(3) 0.6761(4) 0.3067(3) 0.0518(9) Uani 1 1 d . . .
H8 H -0.3462 0.6914 0.2984 0.062 Uiso 1 1 calc R . .
C9 C -0.1501(3) 0.7617(3) 0.2928(3) 0.0461(8) Uani 1 1 d . . .
H9 H -0.1210 0.8423 0.2742 0.055 Uiso 1 1 calc R . .
C10 C -0.2334(4) 0.4501(4) 0.1004(3) 0.0515(9) Uani 1 1 d . . .
H10 H -0.2178 0.3846 0.1151 0.062 Uiso 1 1 calc R . .
C11 C -0.3522(3) 0.4475(4) 0.0952(3) 0.0545(10) Uani 1 1 d . . .
H11 H -0.4286 0.3794 0.1059 0.065 Uiso 1 1 calc R . .
C12 C -0.3354(4) 0.5653(4) 0.0710(3) 0.0525(9) Uani 1 1 d . . .
H12 H -0.3984 0.5888 0.0634 0.063 Uiso 1 1 calc R . .
C13 C -0.2048(4) 0.6418(4) 0.0605(3) 0.0503(9) Uani 1 1 d . . .
H13 H -0.1673 0.7240 0.0442 0.060 Uiso 1 1 calc R . .
C14 C -0.1423(3) 0.5708(4) 0.0790(2) 0.0467(8) Uani 1 1 d . . .
H14 H -0.0561 0.5983 0.0775 0.056 Uiso 1 1 calc R . .
C15 C 0.2808(6) 1.1918(5) 0.4508(4) 0.0801(16) Uani 1 1 d . . .
H15A H 0.2741 1.2199 0.3880 0.120 Uiso 1 1 calc R . .
H15B H 0.3390 1.2638 0.4990 0.120 Uiso 1 1 calc R . .
H15C H 0.1983 1.1517 0.4721 0.120 Uiso 1 1 calc R . .
C16 C 0.6745(3) 1.0704(4) 0.1731(3) 0.0463(8) Uani 1 1 d . . .
H16A H 0.7623 1.1356 0.1955 0.056 Uiso 1 1 calc R . .
H16B H 0.6460 1.0891 0.1113 0.056 Uiso 1 1 calc R . .
C17 C 0.6667(3) 0.9407(4) 0.1563(3) 0.0465(8) Uani 1 1 d . . .
H17A H 0.6984 0.9241 0.2178 0.056 Uiso 1 1 calc R . .
H17B H 0.7207 0.9415 0.1076 0.056 Uiso 1 1 calc R . .
C18 C 0.5306(3) 0.8345(3) 0.1205(3) 0.0430(7) Uani 1 1 d . . .
H18A H 0.5004 0.8477 0.0569 0.052 Uiso 1 1 calc R . .
H18B H 0.5291 0.7531 0.1118 0.052 Uiso 1 1 calc R . .
C19 C 0.3265(3) 0.7095(3) 0.1862(3) 0.0361(6) Uani 1 1 d . . .
H19A H 0.2965 0.6707 0.1174 0.043 Uiso 1 1 calc R . .
H19B H 0.2612 0.7246 0.2112 0.043 Uiso 1 1 calc R . .
C20 C 0.3485(3) 0.6206(3) 0.2455(2) 0.0318(6) Uani 1 1 d . . .
C21 C 0.3608(3) 0.6277(3) 0.3501(3) 0.0454(8) Uani 1 1 d . . .
H21 H 0.3536 0.6866 0.3939 0.054 Uiso 1 1 calc R . .
C22 C 0.3859(4) 0.5294(4) 0.3770(3) 0.0528(9) Uani 1 1 d . . .
H22 H 0.3984 0.5133 0.4412 0.063 Uiso 1 1 calc R . .
C23 C 0.3885(3) 0.4608(3) 0.2893(3) 0.0454(8) Uani 1 1 d . . .
H23 H 0.4026 0.3913 0.2854 0.054 Uiso 1 1 calc R . .
C24 C 0.3659(3) 0.5163(3) 0.2080(3) 0.0365(6) Uani 1 1 d . . .
H24 H 0.3629 0.4897 0.1415 0.044 Uiso 1 1 calc R . .
C25 C 0.0831(4) 0.3218(5) 0.3597(4) 0.0703(14) Uani 1 1 d . . .
H25 H 0.0997 0.2996 0.4205 0.084 Uiso 1 1 calc R . .
C26 C 0.0820(4) 0.2629(4) 0.2657(4) 0.0672(13) Uani 1 1 d . . .
H26 H 0.0969 0.1945 0.2537 0.081 Uiso 1 1 calc R . .
C27 C 0.0542(4) 0.3263(4) 0.1931(4) 0.0676(12) Uani 1 1 d . . .
H27 H 0.0485 0.3077 0.1249 0.081 Uiso 1 1 calc R . .
C28 C 0.0365(3) 0.4240(4) 0.2437(4) 0.0583(10) Uani 1 1 d . . .
H28 H 0.0163 0.4800 0.2143 0.070 Uiso 1 1 calc R . .
C29 C 0.0549(4) 0.4200(5) 0.3453(4) 0.0618(11) Uani 1 1 d . . .
H29 H 0.0493 0.4736 0.3952 0.074 Uiso 1 1 calc R . .
C30 C 0.6211(4) 1.2008(3) 0.2859(4) 0.0608(11) Uani 1 1 d . . .
H30A H 0.5726 1.1968 0.3389 0.091 Uiso 1 1 calc R . .
H30B H 0.5976 1.2372 0.2335 0.091 Uiso 1 1 calc R . .
H30C H 0.7104 1.2529 0.3101 0.091 Uiso 1 1 calc R . .


_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
Fe1 C20 2.062(3) . ?
Fe1 C21 2.047(3) . ?
Fe1 C22 2.038(4) . ?
Fe1 C23 2.035(3) . ?
Fe1 C24 2.045(3) . ?
Fe1 C25 2.040(4) . ?
Fe1 C26 2.046(4) . ?
Fe1 C27 2.037(4) . ?
Fe1 C28 2.042(4) . ?
Fe1 C29 2.037(4) . ?
Fe2 C5 2.039(3) . ?
Fe2 C6 2.049(3) . ?
Fe2 C7 2.043(3) . ?
Fe2 C8 2.039(3) . ?
Fe2 C9 2.044(3) . ?
Fe2 C10 2.049(4) . ?
Fe2 C11 2.045(3) . ?
Fe2 C12 2.041(3) . ?
Fe2 C13 2.042(3) . ?
Fe2 C14 2.041(3) . ?
P1 N1 1.610(2) . ?
P1 N2 1.594(2) . ?
P1 N4 1.661(2) . ?
P1 N5 1.654(3) . ?
P2 Cl1 2.0296(10) . ?
P2 Cl2 2.0298(11) . ?
P2 N1 1.572(3) . ?
P2 N3 1.549(3) . ?
P3 N2 1.583(2) . ?
P3 N3 1.634(2) . ?
P3 N6 1.660(3) . ?
P3 N7 1.642(2) . ?
N4 C3 1.474(4) . ?
N4 C4 1.474(4) . ?
N5 C1 1.483(4) . ?
N6 C16 1.469(4) . ?
N6 C30 1.467(4) . ?
N7 C18 1.476(4) . ?
N7 C19 1.478(4) . ?
C1 C2 1.531(5) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C3 1.510(5) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C4 1.504(4) . ?
C5 C6 1.431(4) . ?
C6 H6 0.9300 . ?
C7 C6 1.426(4) . ?
C7 C8 1.407(6) . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C9 C5 1.424(5) . ?
C9 C8 1.426(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.414(6) . ?
C10 C14 1.418(6) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 C11 1.410(6) . ?
C12 H12 0.9300 . ?
C13 C12 1.424(5) . ?
C13 C14 1.410(6) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 N5 1.437(5) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C17 1.518(5) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C17 1.523(5) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.505(4) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C21 C20 1.416(5) . ?
C21 C22 1.427(5) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C22 1.411(6) . ?
C23 H23 0.9300 . ?
C24 C20 1.433(4) . ?
C24 C23 1.418(5) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 C25 1.411(7) . ?
C26 C27 1.414(7) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 C27 1.430(6) . ?
C28 H28 0.9300 . ?
C29 C25 1.404(6) . ?
C29 C28 1.397(7) . ?
C29 H29 0.9300 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?

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
C23 Fe1 C27 125.36(18) . . ?
C23 Fe1 C29 153.61(18) . . ?
C27 Fe1 C29 68.1(2) . . ?
C23 Fe1 C22 40.52(17) . . ?
C27 Fe1 C22 161.76(19) . . ?
C29 Fe1 C22 119.85(19) . . ?
C23 Fe1 C25 118.62(16) . . ?
C27 Fe1 C25 68.1(2) . . ?
C29 Fe1 C25 40.29(17) . . ?
C22 Fe1 C25 106.4(2) . . ?
C23 Fe1 C28 164.04(18) . . ?
C27 Fe1 C28 41.03(19) . . ?
C29 Fe1 C28 40.04(19) . . ?
C22 Fe1 C28 154.88(19) . . ?
C25 Fe1 C28 67.88(19) . . ?
C23 Fe1 C24 40.68(14) . . ?
C27 Fe1 C24 108.57(17) . . ?
C29 Fe1 C24 164.64(16) . . ?
C22 Fe1 C24 68.17(15) . . ?
C25 Fe1 C24 153.94(15) . . ?
C28 Fe1 C24 127.69(17) . . ?
C23 Fe1 C26 106.51(16) . . ?
C27 Fe1 C26 40.5(2) . . ?
C29 Fe1 C26 67.80(18) . . ?
C22 Fe1 C26 124.25(19) . . ?
C25 Fe1 C26 40.4(2) . . ?
C28 Fe1 C26 68.26(17) . . ?
C24 Fe1 C26 120.13(16) . . ?
C23 Fe1 C21 68.49(15) . . ?
C27 Fe1 C21 156.26(19) . . ?
C29 Fe1 C21 108.52(18) . . ?
C22 Fe1 C21 40.89(15) . . ?
C25 Fe1 C21 125.5(2) . . ?
C28 Fe1 C21 121.11(16) . . ?
C24 Fe1 C21 68.13(14) . . ?
C26 Fe1 C21 162.0(2) . . ?
C23 Fe1 C20 68.73(13) . . ?
C27 Fe1 C20 121.65(18) . . ?
C29 Fe1 C20 127.01(15) . . ?
C22 Fe1 C20 68.47(14) . . ?
C25 Fe1 C20 163.08(18) . . ?
C28 Fe1 C20 109.45(15) . . ?
C24 Fe1 C20 40.84(11) . . ?
C26 Fe1 C20 155.76(18) . . ?
C21 Fe1 C20 40.34(13) . . ?
C8 Fe2 C5 68.73(13) . . ?
C8 Fe2 C12 106.29(16) . . ?
C5 Fe2 C12 154.19(16) . . ?
C8 Fe2 C14 160.41(18) . . ?
C5 Fe2 C14 107.49(13) . . ?
C12 Fe2 C14 68.28(15) . . ?
C8 Fe2 C13 123.34(18) . . ?
C5 Fe2 C13 119.35(14) . . ?
C12 Fe2 C13 40.81(15) . . ?
C14 Fe2 C13 40.40(16) . . ?
C8 Fe2 C7 40.32(17) . . ?
C5 Fe2 C7 68.96(12) . . ?
C12 Fe2 C7 124.53(15) . . ?
C14 Fe2 C7 158.04(16) . . ?
C13 Fe2 C7 160.62(16) . . ?
C8 Fe2 C9 40.90(15) . . ?
C5 Fe2 C9 40.82(13) . . ?
C12 Fe2 C9 118.84(17) . . ?
C14 Fe2 C9 123.78(16) . . ?
C13 Fe2 C9 105.46(17) . . ?
C7 Fe2 C9 68.57(16) . . ?
C8 Fe2 C11 120.86(16) . . ?
C5 Fe2 C11 163.77(16) . . ?
C12 Fe2 C11 40.37(17) . . ?
C14 Fe2 C11 68.01(15) . . ?
C13 Fe2 C11 68.09(16) . . ?
C7 Fe2 C11 109.00(15) . . ?
C9 Fe2 C11 154.77(17) . . ?
C8 Fe2 C10 156.75(17) . . ?
C5 Fe2 C10 126.18(14) . . ?
C12 Fe2 C10 68.17(17) . . ?
C14 Fe2 C10 40.57(16) . . ?
C13 Fe2 C10 68.14(17) . . ?
C7 Fe2 C10 122.95(17) . . ?
C9 Fe2 C10 161.89(16) . . ?
C11 Fe2 C10 40.40(16) . . ?
C8 Fe2 C6 68.17(15) . . ?
C5 Fe2 C6 40.99(12) . . ?
C12 Fe2 C6 162.63(15) . . ?
C14 Fe2 C6 122.41(14) . . ?
C13 Fe2 C6 156.02(14) . . ?
C7 Fe2 C6 40.77(13) . . ?
C9 Fe2 C6 68.52(15) . . ?
C11 Fe2 C6 127.09(16) . . ?
C10 Fe2 C6 110.02(16) . . ?
N2 P1 N1 115.59(12) . . ?
N2 P1 N5 108.71(14) . . ?
N1 P1 N5 109.30(14) . . ?
N2 P1 N4 111.42(13) . . ?
N1 P1 N4 107.26(14) . . ?
N5 P1 N4 103.91(14) . . ?
N3 P2 N1 121.74(13) . . ?
N3 P2 Cl1 109.86(11) . . ?
N1 P2 Cl1 107.24(11) . . ?
N3 P2 Cl2 108.82(12) . . ?
N1 P2 Cl2 108.62(11) . . ?
Cl1 P2 Cl2 97.95(5) . . ?
N2 P3 N3 113.84(13) . . ?
N2 P3 N7 109.26(13) . . ?
N3 P3 N7 110.66(14) . . ?
N2 P3 N6 111.72(14) . . ?
N3 P3 N6 108.64(15) . . ?
N7 P3 N6 102.10(13) . . ?
P2 N1 P1 120.11(15) . . ?
P3 N2 P1 126.17(15) . . ?
P2 N3 P3 121.52(16) . . ?
C3 N4 C4 113.2(3) . . ?
C3 N4 P1 117.2(2) . . ?
C4 N4 P1 116.78(18) . . ?
C15 N5 C1 113.4(3) . . ?
C15 N5 P1 120.4(3) . . ?
C1 N5 P1 113.2(2) . . ?
C30 N6 C16 113.1(3) . . ?
C30 N6 P3 114.7(2) . . ?
C16 N6 P3 117.6(2) . . ?
C18 N7 C19 114.9(2) . . ?
C18 N7 P3 118.5(2) . . ?
C19 N7 P3 117.73(19) . . ?
N5 C1 C2 111.1(3) . . ?
N5 C1 H1A 109.4 . . ?
C2 C1 H1A 109.4 . . ?
N5 C1 H1B 109.4 . . ?
C2 C1 H1B 109.4 . . ?
H1A C1 H1B 108.0 . . ?
C3 C2 C1 111.5(3) . . ?
C3 C2 H2A 109.3 . . ?
C1 C2 H2A 109.3 . . ?
C3 C2 H2B 109.3 . . ?
C1 C2 H2B 109.3 . . ?
H2A C2 H2B 108.0 . . ?
N4 C3 C2 112.2(3) . . ?
N4 C3 H3A 109.2 . . ?
C2 C3 H3A 109.2 . . ?
N4 C3 H3B 109.2 . . ?
C2 C3 H3B 109.2 . . ?
H3A C3 H3B 107.9 . . ?
N4 C4 C5 111.7(2) . . ?
N4 C4 H4A 109.3 . . ?
C5 C4 H4A 109.3 . . ?
N4 C4 H4B 109.3 . . ?
C5 C4 H4B 109.3 . . ?
H4A C4 H4B 107.9 . . ?
C9 C5 C6 107.6(3) . . ?
C9 C5 C4 125.3(3) . . ?
C6 C5 C4 127.1(3) . . ?
C9 C5 Fe2 69.76(18) . . ?
C6 C5 Fe2 69.88(17) . . ?
C4 C5 Fe2 124.9(2) . . ?
C7 C6 C5 108.0(3) . . ?
C7 C6 Fe2 69.39(19) . . ?
C5 C6 Fe2 69.13(17) . . ?
C7 C6 H6 126.0 . . ?
C5 C6 H6 126.0 . . ?
Fe2 C6 H6 127.0 . . ?
C8 C7 C6 108.0(3) . . ?
C8 C7 Fe2 69.7(2) . . ?
C6 C7 Fe2 69.84(18) . . ?
C8 C7 H7 126.0 . . ?
C6 C7 H7 126.0 . . ?
Fe2 C7 H7 126.0 . . ?
C7 C8 C9 108.7(3) . . ?
C7 C8 Fe2 70.0(2) . . ?
C9 C8 Fe2 69.73(19) . . ?
C7 C8 H8 125.7 . . ?
C9 C8 H8 125.7 . . ?
Fe2 C8 H8 126.2 . . ?
C5 C9 C8 107.7(3) . . ?
C5 C9 Fe2 69.42(18) . . ?
C8 C9 Fe2 69.4(2) . . ?
C5 C9 H9 126.1 . . ?
C8 C9 H9 126.1 . . ?
Fe2 C9 H9 126.6 . . ?
C11 C10 C14 107.6(4) . . ?
C11 C10 Fe2 69.7(2) . . ?
C14 C10 Fe2 69.4(2) . . ?
C11 C10 H10 126.2 . . ?
C14 C10 H10 126.2 . . ?
Fe2 C10 H10 126.3 . . ?
C12 C11 C10 108.5(3) . . ?
C12 C11 Fe2 69.6(2) . . ?
C10 C11 Fe2 69.9(2) . . ?
C12 C11 H11 125.7 . . ?
C10 C11 H11 125.7 . . ?
Fe2 C11 H11 126.3 . . ?
C11 C12 C13 107.7(3) . . ?
C11 C12 Fe2 70.0(2) . . ?
C13 C12 Fe2 69.66(19) . . ?
C11 C12 H12 126.1 . . ?
C13 C12 H12 126.1 . . ?
Fe2 C12 H12 125.8 . . ?
C14 C13 C12 107.9(3) . . ?
C14 C13 Fe2 69.8(2) . . ?
C12 C13 Fe2 69.5(2) . . ?
C14 C13 H13 126.1 . . ?
C12 C13 H13 126.1 . . ?
Fe2 C13 H13 126.2 . . ?
C13 C14 C10 108.3(3) . . ?
C13 C14 Fe2 69.8(2) . . ?
C10 C14 Fe2 70.0(2) . . ?
C13 C14 H14 125.9 . . ?
C10 C14 H14 125.9 . . ?
Fe2 C14 H14 125.9 . . ?
N5 C15 H15A 109.5 . . ?
N5 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N5 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N6 C16 C17 110.2(3) . . ?
N6 C16 H16A 109.6 . . ?
C17 C16 H16A 109.6 . . ?
N6 C16 H16B 109.6 . . ?
C17 C16 H16B 109.6 . . ?
H16A C16 H16B 108.1 . . ?
C16 C17 C18 111.9(3) . . ?
C16 C17 H17A 109.2 . . ?
C18 C17 H17A 109.2 . . ?
C16 C17 H17B 109.2 . . ?
C18 C17 H17B 109.2 . . ?
H17A C17 H17B 107.9 . . ?
N7 C18 C17 110.4(3) . . ?
N7 C18 H18A 109.6 . . ?
C17 C18 H18A 109.6 . . ?
N7 C18 H18B 109.6 . . ?
C17 C18 H18B 109.6 . . ?
H18A C18 H18B 108.1 . . ?
N7 C19 C20 110.5(2) . . ?
N7 C19 H19A 109.5 . . ?
C20 C19 H19A 109.5 . . ?
N7 C19 H19B 109.5 . . ?
C20 C19 H19B 109.5 . . ?
H19A C19 H19B 108.1 . . ?
C21 C20 C24 107.1(3) . . ?
C21 C20 C19 126.0(3) . . ?
C24 C20 C19 126.9(3) . . ?
C21 C20 Fe1 69.26(18) . . ?
C24 C20 Fe1 68.93(16) . . ?
C19 C20 Fe1 128.7(2) . . ?
C20 C21 C22 108.4(3) . . ?
C20 C21 Fe1 70.41(18) . . ?
C22 C21 Fe1 69.2(2) . . ?
C20 C21 H21 125.8 . . ?
C22 C21 H21 125.8 . . ?
Fe1 C21 H21 126.2 . . ?
C23 C22 C21 108.1(3) . . ?
C23 C22 Fe1 69.7(2) . . ?
C21 C22 Fe1 69.9(2) . . ?
C23 C22 H22 125.9 . . ?
C21 C22 H22 125.9 . . ?
Fe1 C22 H22 126.1 . . ?
C22 C23 C24 108.0(3) . . ?
C22 C23 Fe1 69.8(2) . . ?
C24 C23 Fe1 70.01(18) . . ?
C22 C23 H23 126.0 . . ?
C24 C23 H23 126.0 . . ?
Fe1 C23 H23 125.7 . . ?
C23 C24 C20 108.4(3) . . ?
C23 C24 Fe1 69.32(18) . . ?
C20 C24 Fe1 70.22(16) . . ?
C23 C24 H24 125.8 . . ?
C20 C24 H24 125.8 . . ?
Fe1 C24 H24 126.3 . . ?
C29 C25 C26 108.0(4) . . ?
C29 C25 Fe1 69.7(2) . . ?
C26 C25 Fe1 70.0(2) . . ?
C29 C25 H25 126.0 . . ?
C26 C25 H25 126.0 . . ?
Fe1 C25 H25 125.8 . . ?
C25 C26 C27 107.9(4) . . ?
C25 C26 Fe1 69.6(2) . . ?
C27 C26 Fe1 69.4(2) . . ?
C25 C26 H26 126.0 . . ?
C27 C26 H26 126.0 . . ?
Fe1 C26 H26 126.6 . . ?
C26 C27 C28 107.6(4) . . ?
C26 C27 Fe1 70.1(3) . . ?
C28 C27 Fe1 69.7(2) . . ?
C26 C27 H27 126.2 . . ?
C28 C27 H27 126.2 . . ?
Fe1 C27 H27 125.6 . . ?
C29 C28 C27 107.6(4) . . ?
C29 C28 Fe1 69.8(2) . . ?
C27 C28 Fe1 69.3(2) . . ?
C29 C28 H28 126.2 . . ?
C27 C28 H28 126.2 . . ?
Fe1 C28 H28 126.3 . . ?
C28 C29 C25 108.9(4) . . ?
C28 C29 Fe1 70.2(2) . . ?
C25 C29 Fe1 70.0(2) . . ?
C28 C29 H29 125.5 . . ?
C25 C29 H29 125.5 . . ?
Fe1 C29 H29 125.9 . . ?
N6 C30 H30A 109.5 . . ?
N6 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
N6 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?

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
N2 P3 N7 C18 -164.3(2) . . . . ?
N3 P3 N7 C18 69.6(3) . . . . ?
N6 P3 N7 C18 -45.9(3) . . . . ?
N2 P3 N7 C19 49.9(3) . . . . ?
N3 P3 N7 C19 -76.2(3) . . . . ?
N6 P3 N7 C19 168.3(2) . . . . ?
C8 Fe2 C13 C14 165.2(2) . . . . ?
C5 Fe2 C13 C14 82.6(2) . . . . ?
C12 Fe2 C13 C14 -119.1(3) . . . . ?
C7 Fe2 C13 C14 -166.4(4) . . . . ?
C9 Fe2 C13 C14 124.4(2) . . . . ?
C11 Fe2 C13 C14 -81.4(2) . . . . ?
C10 Fe2 C13 C14 -37.7(2) . . . . ?
C6 Fe2 C13 C14 52.7(5) . . . . ?
C8 Fe2 C13 C12 -75.6(3) . . . . ?
C5 Fe2 C13 C12 -158.3(2) . . . . ?
C14 Fe2 C13 C12 119.1(3) . . . . ?
C7 Fe2 C13 C12 -47.3(6) . . . . ?
C9 Fe2 C13 C12 -116.5(3) . . . . ?
C11 Fe2 C13 C12 37.8(3) . . . . ?
C10 Fe2 C13 C12 81.5(3) . . . . ?
C6 Fe2 C13 C12 171.8(3) . . . . ?
N2 P1 N4 C3 70.2(3) . . . . ?
N1 P1 N4 C3 -162.4(2) . . . . ?
N5 P1 N4 C3 -46.7(3) . . . . ?
N2 P1 N4 C4 -69.0(2) . . . . ?
N1 P1 N4 C4 58.5(3) . . . . ?
N5 P1 N4 C4 174.2(2) . . . . ?
N2 P3 N6 C30 -59.6(3) . . . . ?
N3 P3 N6 C30 66.8(3) . . . . ?
N7 P3 N6 C30 -176.3(3) . . . . ?
N2 P3 N6 C16 163.7(2) . . . . ?
N3 P3 N6 C16 -69.9(3) . . . . ?
N7 P3 N6 C16 47.0(3) . . . . ?
N3 P3 N2 P1 -10.7(3) . . . . ?
N7 P3 N2 P1 -134.91(19) . . . . ?
N6 P3 N2 P1 112.9(2) . . . . ?
N1 P1 N2 P3 5.0(3) . . . . ?
N5 P1 N2 P3 -118.3(2) . . . . ?
N4 P1 N2 P3 127.75(19) . . . . ?
N3 P2 N1 P1 -7.9(3) . . . . ?
Cl1 P2 N1 P1 -135.54(17) . . . . ?
Cl2 P2 N1 P1 119.55(17) . . . . ?
N2 P1 N1 P2 4.7(3) . . . . ?
N5 P1 N1 P2 127.7(2) . . . . ?
N4 P1 N1 P2 -120.2(2) . . . . ?
C8 Fe2 C9 C5 119.3(3) . . . . ?
C12 Fe2 C9 C5 -159.2(2) . . . . ?
C14 Fe2 C9 C5 -77.2(3) . . . . ?
C13 Fe2 C9 C5 -117.2(2) . . . . ?
C7 Fe2 C9 C5 82.2(2) . . . . ?
C11 Fe2 C9 C5 171.5(3) . . . . ?
C10 Fe2 C9 C5 -50.6(6) . . . . ?
C6 Fe2 C9 C5 38.25(19) . . . . ?
C5 Fe2 C9 C8 -119.3(3) . . . . ?
C12 Fe2 C9 C8 81.6(3) . . . . ?
C14 Fe2 C9 C8 163.5(2) . . . . ?
C13 Fe2 C9 C8 123.5(2) . . . . ?
C7 Fe2 C9 C8 -37.1(2) . . . . ?
C11 Fe2 C9 C8 52.2(5) . . . . ?
C10 Fe2 C9 C8 -169.9(5) . . . . ?
C6 Fe2 C9 C8 -81.0(2) . . . . ?
C5 Fe2 C7 C8 81.5(2) . . . . ?
C12 Fe2 C7 C8 -73.5(3) . . . . ?
C14 Fe2 C7 C8 166.2(3) . . . . ?
C13 Fe2 C7 C8 -37.8(5) . . . . ?
C9 Fe2 C7 C8 37.6(2) . . . . ?
C11 Fe2 C7 C8 -115.6(2) . . . . ?
C10 Fe2 C7 C8 -158.2(2) . . . . ?
C6 Fe2 C7 C8 119.1(3) . . . . ?
C8 Fe2 C7 C6 -119.1(3) . . . . ?
C5 Fe2 C7 C6 -37.6(2) . . . . ?
C12 Fe2 C7 C6 167.4(2) . . . . ?
C14 Fe2 C7 C6 47.1(5) . . . . ?
C13 Fe2 C7 C6 -156.9(4) . . . . ?
C9 Fe2 C7 C6 -81.5(2) . . . . ?
C11 Fe2 C7 C6 125.3(2) . . . . ?
C10 Fe2 C7 C6 82.7(3) . . . . ?
C8 Fe2 C10 C11 43.1(5) . . . . ?
C5 Fe2 C10 C11 167.4(2) . . . . ?
C12 Fe2 C10 C11 -37.3(2) . . . . ?
C14 Fe2 C10 C11 -119.0(3) . . . . ?
C13 Fe2 C10 C11 -81.4(3) . . . . ?
C7 Fe2 C10 C11 80.6(3) . . . . ?
C9 Fe2 C10 C11 -153.8(5) . . . . ?
C6 Fe2 C10 C11 124.2(2) . . . . ?
C8 Fe2 C10 C14 162.0(4) . . . . ?
C5 Fe2 C10 C14 -73.6(3) . . . . ?
C12 Fe2 C10 C14 81.7(2) . . . . ?
C13 Fe2 C10 C14 37.5(2) . . . . ?
C7 Fe2 C10 C14 -160.4(2) . . . . ?
C9 Fe2 C10 C14 -34.9(6) . . . . ?
C11 Fe2 C10 C14 119.0(3) . . . . ?
C6 Fe2 C10 C14 -116.8(2) . . . . ?
C23 Fe1 C21 C20 82.1(2) . . . . ?
C27 Fe1 C21 C20 -48.4(5) . . . . ?
C29 Fe1 C21 C20 -125.9(2) . . . . ?
C22 Fe1 C21 C20 119.6(3) . . . . ?
C25 Fe1 C21 C20 -167.4(2) . . . . ?
C28 Fe1 C21 C20 -83.7(3) . . . . ?
C24 Fe1 C21 C20 38.12(18) . . . . ?
C26 Fe1 C21 C20 159.1(5) . . . . ?
C23 Fe1 C21 C22 -37.5(2) . . . . ?
C27 Fe1 C21 C22 -168.0(4) . . . . ?
C29 Fe1 C21 C22 114.5(3) . . . . ?
C25 Fe1 C21 C22 73.0(3) . . . . ?
C28 Fe1 C21 C22 156.7(3) . . . . ?
C24 Fe1 C21 C22 -81.5(2) . . . . ?
C26 Fe1 C21 C22 39.5(6) . . . . ?
C20 Fe1 C21 C22 -119.6(3) . . . . ?
C6 C7 C8 C9 0.4(4) . . . . ?
Fe2 C7 C8 C9 -59.2(3) . . . . ?
C6 C7 C8 Fe2 59.6(2) . . . . ?
C5 C9 C8 C7 0.3(4) . . . . ?
Fe2 C9 C8 C7 59.3(3) . . . . ?
C5 C9 C8 Fe2 -59.0(2) . . . . ?
C5 Fe2 C8 C7 -82.1(2) . . . . ?
C12 Fe2 C8 C7 124.6(2) . . . . ?
C14 Fe2 C8 C7 -164.6(4) . . . . ?
C13 Fe2 C8 C7 165.9(2) . . . . ?
C9 Fe2 C8 C7 -119.9(3) . . . . ?
C11 Fe2 C8 C7 83.2(3) . . . . ?
C10 Fe2 C8 C7 52.2(5) . . . . ?
C6 Fe2 C8 C7 -37.93(19) . . . . ?
C5 Fe2 C8 C9 37.7(2) . . . . ?
C12 Fe2 C8 C9 -115.5(2) . . . . ?
C14 Fe2 C8 C9 -44.7(5) . . . . ?
C13 Fe2 C8 C9 -74.2(3) . . . . ?
C7 Fe2 C8 C9 119.9(3) . . . . ?
C11 Fe2 C8 C9 -156.9(2) . . . . ?
C10 Fe2 C8 C9 172.1(4) . . . . ?
C6 Fe2 C8 C9 81.9(2) . . . . ?
C8 C9 C5 C6 -0.9(4) . . . . ?
Fe2 C9 C5 C6 -59.9(2) . . . . ?
C8 C9 C5 C4 178.0(3) . . . . ?
Fe2 C9 C5 C4 119.1(3) . . . . ?
C8 C9 C5 Fe2 59.0(2) . . . . ?
C8 Fe2 C5 C9 -37.8(2) . . . . ?
C12 Fe2 C5 C9 45.7(4) . . . . ?
C14 Fe2 C5 C9 121.8(2) . . . . ?
C13 Fe2 C5 C9 79.4(2) . . . . ?
C7 Fe2 C5 C9 -81.2(2) . . . . ?
C11 Fe2 C5 C9 -167.0(5) . . . . ?
C10 Fe2 C5 C9 162.7(2) . . . . ?
C6 Fe2 C5 C9 -118.6(3) . . . . ?
C8 Fe2 C5 C6 80.8(2) . . . . ?
C12 Fe2 C5 C6 164.3(3) . . . . ?
C14 Fe2 C5 C6 -119.6(2) . . . . ?
C13 Fe2 C5 C6 -162.0(2) . . . . ?
C7 Fe2 C5 C6 37.4(2) . . . . ?
C9 Fe2 C5 C6 118.6(3) . . . . ?
C11 Fe2 C5 C6 -48.4(5) . . . . ?
C10 Fe2 C5 C6 -78.8(2) . . . . ?
C8 Fe2 C5 C4 -157.3(3) . . . . ?
C12 Fe2 C5 C4 -73.9(4) . . . . ?
C14 Fe2 C5 C4 2.3(3) . . . . ?
C13 Fe2 C5 C4 -40.1(3) . . . . ?
C7 Fe2 C5 C4 159.3(3) . . . . ?
C9 Fe2 C5 C4 -119.6(4) . . . . ?
C11 Fe2 C5 C4 73.5(6) . . . . ?
C10 Fe2 C5 C4 43.1(3) . . . . ?
C6 Fe2 C5 C4 121.9(4) . . . . ?
C23 Fe1 C26 C25 115.0(3) . . . . ?
C27 Fe1 C26 C25 -119.4(4) . . . . ?
C29 Fe1 C26 C25 -37.6(3) . . . . ?
C22 Fe1 C26 C25 74.2(3) . . . . ?
C28 Fe1 C26 C25 -81.0(3) . . . . ?
C24 Fe1 C26 C25 157.0(2) . . . . ?
C21 Fe1 C26 C25 44.0(6) . . . . ?
C20 Fe1 C26 C25 -170.3(3) . . . . ?
C23 Fe1 C26 C27 -125.6(3) . . . . ?
C29 Fe1 C26 C27 81.8(3) . . . . ?
C22 Fe1 C26 C27 -166.4(3) . . . . ?
C25 Fe1 C26 C27 119.4(4) . . . . ?
C28 Fe1 C26 C27 38.4(3) . . . . ?
C24 Fe1 C26 C27 -83.5(3) . . . . ?
C21 Fe1 C26 C27 163.4(5) . . . . ?
C20 Fe1 C26 C27 -50.9(5) . . . . ?
C27 Fe1 C24 C23 -123.1(2) . . . . ?
C29 Fe1 C24 C23 162.3(6) . . . . ?
C22 Fe1 C24 C23 37.8(2) . . . . ?
C25 Fe1 C24 C23 -45.0(5) . . . . ?
C28 Fe1 C24 C23 -164.8(2) . . . . ?
C26 Fe1 C24 C23 -80.1(3) . . . . ?
C21 Fe1 C24 C23 82.0(2) . . . . ?
C20 Fe1 C24 C23 119.7(3) . . . . ?
C23 Fe1 C24 C20 -119.7(3) . . . . ?
C27 Fe1 C24 C20 117.3(2) . . . . ?
C29 Fe1 C24 C20 42.6(7) . . . . ?
C22 Fe1 C24 C20 -81.9(2) . . . . ?
C25 Fe1 C24 C20 -164.7(4) . . . . ?
C28 Fe1 C24 C20 75.5(2) . . . . ?
C26 Fe1 C24 C20 160.2(2) . . . . ?
C21 Fe1 C24 C20 -37.66(19) . . . . ?
C23 Fe1 C29 C28 -164.6(3) . . . . ?
C27 Fe1 C29 C28 -38.3(3) . . . . ?
C22 Fe1 C29 C28 160.0(2) . . . . ?
C25 Fe1 C29 C28 -119.9(4) . . . . ?
C24 Fe1 C29 C28 42.0(8) . . . . ?
C26 Fe1 C29 C28 -82.2(3) . . . . ?
C21 Fe1 C29 C28 116.6(3) . . . . ?
C20 Fe1 C29 C28 75.6(3) . . . . ?
C23 Fe1 C29 C25 -44.7(6) . . . . ?
C27 Fe1 C29 C25 81.6(4) . . . . ?
C22 Fe1 C29 C25 -80.1(4) . . . . ?
C28 Fe1 C29 C25 119.9(4) . . . . ?
C24 Fe1 C29 C25 161.9(6) . . . . ?
C26 Fe1 C29 C25 37.7(3) . . . . ?
C21 Fe1 C29 C25 -123.4(3) . . . . ?
C20 Fe1 C29 C25 -164.5(3) . . . . ?
C3 N4 C4 C5 76.8(3) . . . . ?
P1 N4 C4 C5 -142.5(2) . . . . ?
C9 C5 C4 N4 67.7(4) . . . . ?
C6 C5 C4 N4 -113.6(3) . . . . ?
Fe2 C5 C4 N4 156.3(2) . . . . ?
N2 P1 N5 C15 152.9(3) . . . . ?
N1 P1 N5 C15 25.9(4) . . . . ?
N4 P1 N5 C15 -88.3(4) . . . . ?
N2 P1 N5 C1 -68.4(3) . . . . ?
N1 P1 N5 C1 164.6(2) . . . . ?
N4 P1 N5 C1 50.4(3) . . . . ?
N1 P2 N3 P3 1.6(3) . . . . ?
Cl1 P2 N3 P3 128.08(18) . . . . ?
Cl2 P2 N3 P3 -125.75(19) . . . . ?
N2 P3 N3 P2 7.1(3) . . . . ?
N7 P3 N3 P2 130.6(2) . . . . ?
N6 P3 N3 P2 -118.1(2) . . . . ?
C14 C13 C12 C11 -0.5(4) . . . . ?
Fe2 C13 C12 C11 -59.9(3) . . . . ?
C14 C13 C12 Fe2 59.4(2) . . . . ?
C8 Fe2 C12 C11 -118.8(3) . . . . ?
C5 Fe2 C12 C11 166.5(3) . . . . ?
C14 Fe2 C12 C11 81.2(3) . . . . ?
C13 Fe2 C12 C11 118.7(4) . . . . ?
C7 Fe2 C12 C11 -78.5(3) . . . . ?
C9 Fe2 C12 C11 -161.2(2) . . . . ?
C10 Fe2 C12 C11 37.3(2) . . . . ?
C6 Fe2 C12 C11 -50.1(6) . . . . ?
C8 Fe2 C12 C13 122.5(3) . . . . ?
C5 Fe2 C12 C13 47.8(4) . . . . ?
C14 Fe2 C12 C13 -37.5(2) . . . . ?
C7 Fe2 C12 C13 162.8(2) . . . . ?
C9 Fe2 C12 C13 80.1(3) . . . . ?
C11 Fe2 C12 C13 -118.7(4) . . . . ?
C10 Fe2 C12 C13 -81.4(3) . . . . ?
C6 Fe2 C12 C13 -168.8(5) . . . . ?
C18 N7 C19 C20 85.5(3) . . . . ?
P3 N7 C19 C20 -127.5(2) . . . . ?
C13 C12 C11 C10 0.4(4) . . . . ?
Fe2 C12 C11 C10 -59.3(3) . . . . ?
C13 C12 C11 Fe2 59.7(3) . . . . ?
C14 C10 C11 C12 -0.1(4) . . . . ?
Fe2 C10 C11 C12 59.1(3) . . . . ?
C14 C10 C11 Fe2 -59.3(2) . . . . ?
C8 Fe2 C11 C12 78.6(3) . . . . ?
C5 Fe2 C11 C12 -158.7(4) . . . . ?
C14 Fe2 C11 C12 -81.9(3) . . . . ?
C13 Fe2 C11 C12 -38.2(2) . . . . ?
C7 Fe2 C11 C12 121.4(2) . . . . ?
C9 Fe2 C11 C12 41.5(5) . . . . ?
C10 Fe2 C11 C12 -119.7(3) . . . . ?
C6 Fe2 C11 C12 163.3(2) . . . . ?
C8 Fe2 C11 C10 -161.7(2) . . . . ?
C5 Fe2 C11 C10 -39.0(6) . . . . ?
C12 Fe2 C11 C10 119.7(3) . . . . ?
C14 Fe2 C11 C10 37.9(2) . . . . ?
C13 Fe2 C11 C10 81.6(3) . . . . ?
C7 Fe2 C11 C10 -118.9(3) . . . . ?
C9 Fe2 C11 C10 161.2(4) . . . . ?
C6 Fe2 C11 C10 -76.9(3) . . . . ?
C25 C29 C28 C27 -0.3(5) . . . . ?
Fe1 C29 C28 C27 59.2(3) . . . . ?
C25 C29 C28 Fe1 -59.4(3) . . . . ?
C23 Fe1 C28 C29 154.6(5) . . . . ?
C27 Fe1 C28 C29 118.9(4) . . . . ?
C22 Fe1 C28 C29 -44.3(5) . . . . ?
C25 Fe1 C28 C29 37.2(3) . . . . ?
C24 Fe1 C28 C29 -167.1(2) . . . . ?
C26 Fe1 C28 C29 80.9(3) . . . . ?
C21 Fe1 C28 C29 -81.9(3) . . . . ?
C20 Fe1 C28 C29 -124.9(3) . . . . ?
C23 Fe1 C28 C27 35.7(7) . . . . ?
C29 Fe1 C28 C27 -118.9(4) . . . . ?
C22 Fe1 C28 C27 -163.2(4) . . . . ?
C25 Fe1 C28 C27 -81.7(3) . . . . ?
C24 Fe1 C28 C27 74.0(3) . . . . ?
C26 Fe1 C28 C27 -38.0(3) . . . . ?
C21 Fe1 C28 C27 159.2(3) . . . . ?
C20 Fe1 C28 C27 116.2(3) . . . . ?
C25 C26 C27 C28 -0.8(5) . . . . ?
Fe1 C26 C27 C28 -59.9(3) . . . . ?
C25 C26 C27 Fe1 59.1(3) . . . . ?
C29 C28 C27 C26 0.6(4) . . . . ?
Fe1 C28 C27 C26 60.2(3) . . . . ?
C29 C28 C27 Fe1 -59.5(3) . . . . ?
C23 Fe1 C27 C26 72.9(3) . . . . ?
C29 Fe1 C27 C26 -81.0(3) . . . . ?
C22 Fe1 C27 C26 38.5(7) . . . . ?
C25 Fe1 C27 C26 -37.5(3) . . . . ?
C28 Fe1 C27 C26 -118.4(4) . . . . ?
C24 Fe1 C27 C26 115.0(3) . . . . ?
C21 Fe1 C27 C26 -167.3(4) . . . . ?
C20 Fe1 C27 C26 158.0(2) . . . . ?
C23 Fe1 C27 C28 -168.7(2) . . . . ?
C29 Fe1 C27 C28 37.4(3) . . . . ?
C22 Fe1 C27 C28 156.9(5) . . . . ?
C25 Fe1 C27 C28 81.0(3) . . . . ?
C24 Fe1 C27 C28 -126.6(3) . . . . ?
C26 Fe1 C27 C28 118.4(4) . . . . ?
C21 Fe1 C27 C28 -48.9(6) . . . . ?
C20 Fe1 C27 C28 -83.5(3) . . . . ?
C15 N5 C1 C2 81.1(4) . . . . ?
P1 N5 C1 C2 -60.6(4) . . . . ?
C22 C21 C20 C24 0.2(4) . . . . ?
Fe1 C21 C20 C24 -58.8(2) . . . . ?
C22 C21 C20 C19 -177.6(3) . . . . ?
Fe1 C21 C20 C19 123.4(3) . . . . ?
C22 C21 C20 Fe1 59.0(3) . . . . ?
C23 C24 C20 C21 0.0(3) . . . . ?
Fe1 C24 C20 C21 59.0(2) . . . . ?
C23 C24 C20 C19 177.8(3) . . . . ?
Fe1 C24 C20 C19 -123.2(3) . . . . ?
C23 C24 C20 Fe1 -59.0(2) . . . . ?
N7 C19 C20 C21 76.2(4) . . . . ?
N7 C19 C20 C24 -101.2(3) . . . . ?
N7 C19 C20 Fe1 167.4(2) . . . . ?
C23 Fe1 C20 C21 -81.4(2) . . . . ?
C27 Fe1 C20 C21 159.3(2) . . . . ?
C29 Fe1 C20 C21 74.1(3) . . . . ?
C22 Fe1 C20 C21 -37.7(2) . . . . ?
C25 Fe1 C20 C21 37.7(6) . . . . ?
C28 Fe1 C20 C21 115.5(2) . . . . ?
C24 Fe1 C20 C21 -118.8(3) . . . . ?
C26 Fe1 C20 C21 -164.4(4) . . . . ?
C23 Fe1 C20 C24 37.4(2) . . . . ?
C27 Fe1 C20 C24 -81.9(3) . . . . ?
C29 Fe1 C20 C24 -167.0(2) . . . . ?
C22 Fe1 C20 C24 81.1(2) . . . . ?
C25 Fe1 C20 C24 156.5(6) . . . . ?
C28 Fe1 C20 C24 -125.7(2) . . . . ?
C26 Fe1 C20 C24 -45.6(4) . . . . ?
C21 Fe1 C20 C24 118.8(3) . . . . ?
C23 Fe1 C20 C19 158.4(3) . . . . ?
C27 Fe1 C20 C19 39.1(3) . . . . ?
C29 Fe1 C20 C19 -46.0(4) . . . . ?
C22 Fe1 C20 C19 -157.9(3) . . . . ?
C25 Fe1 C20 C19 -82.5(6) . . . . ?
C28 Fe1 C20 C19 -4.6(3) . . . . ?
C24 Fe1 C20 C19 121.0(4) . . . . ?
C26 Fe1 C20 C19 75.4(5) . . . . ?
C21 Fe1 C20 C19 -120.2(4) . . . . ?
C12 C13 C14 C10 0.4(4) . . . . ?
Fe2 C13 C14 C10 59.7(2) . . . . ?
C12 C13 C14 Fe2 -59.3(3) . . . . ?
C11 C10 C14 C13 -0.2(4) . . . . ?
Fe2 C10 C14 C13 -59.6(3) . . . . ?
C11 C10 C14 Fe2 59.4(2) . . . . ?
C8 Fe2 C14 C13 -39.4(5) . . . . ?
C5 Fe2 C14 C13 -115.0(2) . . . . ?
C12 Fe2 C14 C13 37.9(2) . . . . ?
C7 Fe2 C14 C13 168.0(3) . . . . ?
C9 Fe2 C14 C13 -73.1(3) . . . . ?
C11 Fe2 C14 C13 81.6(2) . . . . ?
C10 Fe2 C14 C13 119.3(3) . . . . ?
C6 Fe2 C14 C13 -157.5(2) . . . . ?
C8 Fe2 C14 C10 -158.7(4) . . . . ?
C5 Fe2 C14 C10 125.7(2) . . . . ?
C12 Fe2 C14 C10 -81.4(2) . . . . ?
C13 Fe2 C14 C10 -119.3(3) . . . . ?
C7 Fe2 C14 C10 48.7(4) . . . . ?
C9 Fe2 C14 C10 167.7(2) . . . . ?
C11 Fe2 C14 C10 -37.7(2) . . . . ?
C6 Fe2 C14 C10 83.2(2) . . . . ?
C20 C24 C23 C22 -0.2(4) . . . . ?
Fe1 C24 C23 C22 -59.7(2) . . . . ?
C20 C24 C23 Fe1 59.5(2) . . . . ?
C27 Fe1 C23 C22 -164.2(3) . . . . ?
C29 Fe1 C23 C22 -50.6(5) . . . . ?
C25 Fe1 C23 C22 -81.8(3) . . . . ?
C28 Fe1 C23 C22 167.8(5) . . . . ?
C24 Fe1 C23 C22 118.9(3) . . . . ?
C26 Fe1 C23 C22 -123.8(3) . . . . ?
C21 Fe1 C23 C22 37.9(2) . . . . ?
C20 Fe1 C23 C22 81.3(2) . . . . ?
C27 Fe1 C23 C24 76.9(3) . . . . ?
C29 Fe1 C23 C24 -169.5(4) . . . . ?
C22 Fe1 C23 C24 -118.9(3) . . . . ?
C25 Fe1 C23 C24 159.3(2) . . . . ?
C28 Fe1 C23 C24 48.9(6) . . . . ?
C26 Fe1 C23 C24 117.3(2) . . . . ?
C21 Fe1 C23 C24 -81.0(2) . . . . ?
C20 Fe1 C23 C24 -37.57(19) . . . . ?
N5 C1 C2 C3 61.2(4) . . . . ?
C28 C29 C25 C26 -0.2(5) . . . . ?
Fe1 C29 C25 C26 -59.8(3) . . . . ?
C28 C29 C25 Fe1 59.6(3) . . . . ?
C27 C26 C25 C29 0.6(5) . . . . ?
Fe1 C26 C25 C29 59.6(3) . . . . ?
C27 C26 C25 Fe1 -59.0(3) . . . . ?
C23 Fe1 C25 C29 159.1(3) . . . . ?
C27 Fe1 C25 C29 -81.4(3) . . . . ?
C22 Fe1 C25 C29 117.0(3) . . . . ?
C28 Fe1 C25 C29 -37.0(3) . . . . ?
C24 Fe1 C25 C29 -169.2(4) . . . . ?
C26 Fe1 C25 C29 -119.0(4) . . . . ?
C21 Fe1 C25 C29 76.3(4) . . . . ?
C20 Fe1 C25 C29 47.2(7) . . . . ?
C23 Fe1 C25 C26 -81.8(3) . . . . ?
C27 Fe1 C25 C26 37.6(3) . . . . ?
C29 Fe1 C25 C26 119.0(4) . . . . ?
C22 Fe1 C25 C26 -124.0(3) . . . . ?
C28 Fe1 C25 C26 82.0(3) . . . . ?
C24 Fe1 C25 C26 -50.2(6) . . . . ?
C21 Fe1 C25 C26 -164.7(3) . . . . ?
C20 Fe1 C25 C26 166.2(5) . . . . ?
C19 N7 C18 C17 -158.7(3) . . . . ?
P3 N7 C18 C17 54.6(4) . . . . ?
C30 N6 C16 C17 165.7(3) . . . . ?
P3 N6 C16 C17 -56.9(4) . . . . ?
C4 N4 C3 C2 -167.8(3) . . . . ?
P1 N4 C3 C2 51.7(4) . . . . ?
C1 C2 C3 N4 -55.7(4) . . . . ?
C24 C23 C22 C21 0.3(4) . . . . ?
Fe1 C23 C22 C21 -59.5(3) . . . . ?
C24 C23 C22 Fe1 59.9(2) . . . . ?
C20 C21 C22 C23 -0.3(4) . . . . ?
Fe1 C21 C22 C23 59.4(3) . . . . ?
C20 C21 C22 Fe1 -59.7(2) . . . . ?
C27 Fe1 C22 C23 45.2(7) . . . . ?
C29 Fe1 C22 C23 156.7(2) . . . . ?
C25 Fe1 C22 C23 115.0(2) . . . . ?
C28 Fe1 C22 C23 -172.1(3) . . . . ?
C24 Fe1 C22 C23 -37.9(2) . . . . ?
C26 Fe1 C22 C23 74.5(3) . . . . ?
C21 Fe1 C22 C23 -119.3(3) . . . . ?
C20 Fe1 C22 C23 -82.0(2) . . . . ?
C23 Fe1 C22 C21 119.3(3) . . . . ?
C27 Fe1 C22 C21 164.5(5) . . . . ?
C29 Fe1 C22 C21 -84.1(3) . . . . ?
C25 Fe1 C22 C21 -125.7(2) . . . . ?
C28 Fe1 C22 C21 -52.9(5) . . . . ?
C24 Fe1 C22 C21 81.3(2) . . . . ?
C26 Fe1 C22 C21 -166.2(2) . . . . ?
C20 Fe1 C22 C21 37.2(2) . . . . ?
C8 C7 C6 C5 -0.9(4) . . . . ?
Fe2 C7 C6 C5 58.5(2) . . . . ?
C8 C7 C6 Fe2 -59.5(2) . . . . ?
C9 C5 C6 C7 1.1(4) . . . . ?
C4 C5 C6 C7 -177.8(3) . . . . ?
Fe2 C5 C6 C7 -58.7(2) . . . . ?
C9 C5 C6 Fe2 59.8(2) . . . . ?
C4 C5 C6 Fe2 -119.1(3) . . . . ?
C8 Fe2 C6 C7 37.5(2) . . . . ?
C5 Fe2 C6 C7 119.8(3) . . . . ?
C12 Fe2 C6 C7 -36.9(6) . . . . ?
C14 Fe2 C6 C7 -161.1(2) . . . . ?
C13 Fe2 C6 C7 161.3(4) . . . . ?
C9 Fe2 C6 C7 81.7(2) . . . . ?
C11 Fe2 C6 C7 -75.4(3) . . . . ?
C10 Fe2 C6 C7 -117.6(2) . . . . ?
C8 Fe2 C6 C5 -82.3(2) . . . . ?
C12 Fe2 C6 C5 -156.7(5) . . . . ?
C14 Fe2 C6 C5 79.2(2) . . . . ?
C13 Fe2 C6 C5 41.5(5) . . . . ?
C7 Fe2 C6 C5 -119.8(3) . . . . ?
C9 Fe2 C6 C5 -38.10(19) . . . . ?
C11 Fe2 C6 C5 164.8(2) . . . . ?
C10 Fe2 C6 C5 122.6(2) . . . . ?
N6 C16 C17 C18 59.6(4) . . . . ?
N7 C18 C17 C16 -58.2(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        28.32
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.623
_refine_diff_density_min         -1.253
_refine_diff_density_rms         0.211
####################################################################### 
# 
# 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_yasemin12_0m_a
_database_code_depnum_ccdc_archive 'CCDC 1528116'
_audit_update_record             
;
2017-01-17 deposited with the CCDC.
2017-12-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H40 Cl2 Fe2 N7 P3'
_chemical_formula_sum            'C30 H40 Cl2 Fe2 N7 P3'
_chemical_formula_weight         774.20

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'
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'
N N 0.0061 0.0033 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'

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

_cell_length_a                   9.2205(3)
_cell_length_b                   18.7632(5)
_cell_length_c                   19.8553(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.007(3)
_cell_angle_gamma                90.00
_cell_volume                     3409.43(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9765
_cell_measurement_theta_min      3.05
_cell_measurement_theta_max      28.25

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1600
_exptl_absorpt_coefficient_mu    1.182
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5581
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'SADABS; Bruker, 2012'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            134880
_diffrn_reflns_av_R_equivalents  0.0434
_diffrn_reflns_av_sigmaI/netI    0.0179
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.00
_diffrn_reflns_theta_max         28.42
_reflns_number_total             8535
_reflns_number_gt                6909
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  
'WinGX publication routines (Farrugia, 1999) and PLATON (Spek, 2003)'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0282P)²+3.7987P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_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         8535
_refine_ls_number_parameters     399
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0546
_refine_ls_R_factor_gt           0.0383
_refine_ls_wR_factor_ref         0.0927
_refine_ls_wR_factor_gt          0.0818
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_restrained_S_all      1.090
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 0.29989(4) 0.715721(17) 0.042972(16) 0.03442(9) Uani 1 1 d . . .
Fe2 Fe 0.74481(4) 0.41763(2) -0.399780(18) 0.04228(10) Uani 1 1 d . . .
P1 P 0.33877(6) 0.45989(3) -0.21380(3) 0.02656(11) Uani 1 1 d . . .
P2 P 0.26441(6) 0.59629(3) -0.26064(3) 0.03203(13) Uani 1 1 d . . .
P3 P 0.51549(6) 0.57867(3) -0.17468(3) 0.02675(11) Uani 1 1 d . . .
Cl1 Cl 0.28870(9) 0.62637(4) -0.35687(4) 0.0623(2) Uani 1 1 d . . .
Cl2 Cl 0.08184(7) 0.65127(4) -0.24789(5) 0.0621(2) Uani 1 1 d . . .
N1 N 0.2309(2) 0.51493(10) -0.25935(10) 0.0387(4) Uani 1 1 d . . .
N2 N 0.46889(18) 0.49740(9) -0.16759(9) 0.0284(4) Uani 1 1 d . . .
N3 N 0.3918(2) 0.63010(9) -0.21213(10) 0.0341(4) Uani 1 1 d . . .
N4 N 0.4009(2) 0.39964(10) -0.26436(10) 0.0345(4) Uani 1 1 d . . .
N5 N 0.2396(2) 0.41234(10) -0.16588(10) 0.0352(4) Uani 1 1 d . . .
N6 N 0.66283(19) 0.58324(9) -0.21474(9) 0.0310(4) Uani 1 1 d . . .
N7 N 0.5678(2) 0.61383(11) -0.09937(9) 0.0366(4) Uani 1 1 d . . .
C1 C 0.1373(3) 0.36091(14) -0.20170(16) 0.0516(7) Uani 1 1 d . . .
H1A H 0.0647 0.3861 -0.2323 0.062 Uiso 1 1 calc R . .
H1B H 0.0872 0.3350 -0.1692 0.062 Uiso 1 1 calc R . .
C2 C 0.2192(3) 0.30948(14) -0.24126(17) 0.0563(7) Uani 1 1 d . . .
H2A H 0.1511 0.2747 -0.2630 0.068 Uiso 1 1 calc R . .
H2B H 0.2905 0.2842 -0.2101 0.068 Uiso 1 1 calc R . .
C3 C 0.2967(3) 0.34566(14) -0.29473(15) 0.0490(6) Uani 1 1 d . . .
H3A H 0.3486 0.3102 -0.3181 0.059 Uiso 1 1 calc R . .
H3B H 0.2252 0.3683 -0.3278 0.059 Uiso 1 1 calc R . .
C4 C 0.4849(3) 0.43309(13) -0.31518(13) 0.0428(6) Uani 1 1 d . . .
H4A H 0.5402 0.4729 -0.2940 0.051 Uiso 1 1 calc R . .
H4B H 0.4167 0.4519 -0.3519 0.051 Uiso 1 1 calc R . .
C5 C 0.5876(3) 0.38344(13) -0.34411(13) 0.0432(6) Uani 1 1 d . . .
C6 C 0.7284(3) 0.36296(17) -0.31293(17) 0.0599(8) Uani 1 1 d . . .
H6 H 0.7698 0.3758 -0.2696 0.072 Uiso 1 1 calc R . .
C7 C 0.7950(4) 0.31985(18) -0.3588(2) 0.0772(11) Uani 1 1 d . . .
H7 H 0.8875 0.2995 -0.3508 0.093 Uiso 1 1 calc R . .
C8 C 0.6979(4) 0.31317(17) -0.4182(2) 0.0773(12) Uani 1 1 d . . .
H8 H 0.7149 0.2878 -0.4568 0.093 Uiso 1 1 calc R . .
C9 C 0.5684(3) 0.35176(16) -0.40973(16) 0.0587(8) Uani 1 1 d . . .
H9 H 0.4858 0.3556 -0.4415 0.070 Uiso 1 1 calc R . .
C10 C 0.7204(4) 0.4908(2) -0.47570(18) 0.0733(10) Uani 1 1 d . . .
H10 H 0.6447 0.4918 -0.5112 0.088 Uiso 1 1 calc R . .
C11 C 0.7206(5) 0.52431(18) -0.4126(2) 0.0817(12) Uani 1 1 d . . .
H11 H 0.6452 0.5514 -0.3986 0.098 Uiso 1 1 calc R . .
C12 C 0.8548(6) 0.5095(2) -0.37462(19) 0.0860(13) Uani 1 1 d . . .
H12 H 0.8851 0.5253 -0.3307 0.103 Uiso 1 1 calc R . .
C13 C 0.9353(4) 0.4670(2) -0.4142(2) 0.0756(10) Uani 1 1 d . . .
H13 H 1.0287 0.4493 -0.4011 0.091 Uiso 1 1 calc R . .
C14 C 0.8530(4) 0.4558(2) -0.47589(17) 0.0689(9) Uani 1 1 d . . .
H14 H 0.8814 0.4293 -0.5116 0.083 Uiso 1 1 calc R . .
C15 C 0.1715(3) 0.45495(16) -0.11650(14) 0.0516(7) Uani 1 1 d . . .
H15A H 0.2443 0.4840 -0.0910 0.077 Uiso 1 1 calc R . .
H15B H 0.1279 0.4238 -0.0862 0.077 Uiso 1 1 calc R . .
H15C H 0.0975 0.4850 -0.1399 0.077 Uiso 1 1 calc R . .
C16 C 0.7935(2) 0.55292(13) -0.17476(13) 0.0384(5) Uani 1 1 d . . .
H16A H 0.8748 0.5538 -0.2015 0.046 Uiso 1 1 calc R . .
H16B H 0.7749 0.5037 -0.1636 0.046 Uiso 1 1 calc R . .
C17 C 0.8327(3) 0.59536(17) -0.10979(14) 0.0512(7) Uani 1 1 d . . .
H17A H 0.9213 0.5760 -0.0851 0.061 Uiso 1 1 calc R . .
H17B H 0.8518 0.6445 -0.1212 0.061 Uiso 1 1 calc R . .
C18 C 0.7106(3) 0.59318(17) -0.06474(13) 0.0515(7) Uani 1 1 d . . .
H18A H 0.7038 0.5452 -0.0471 0.062 Uiso 1 1 calc R . .
H18B H 0.7357 0.6248 -0.0264 0.062 Uiso 1 1 calc R . .
C19 C 0.4539(3) 0.61798(14) -0.05325(13) 0.0449(6) Uani 1 1 d . . .
H19A H 0.4730 0.5820 -0.0182 0.054 Uiso 1 1 calc R . .
H19B H 0.3596 0.6076 -0.0786 0.054 Uiso 1 1 calc R . .
C20 C 0.4478(3) 0.68933(13) -0.02069(11) 0.0361(5) Uani 1 1 d . . .
C21 C 0.5198(3) 0.71158(17) 0.04281(14) 0.0538(7) Uani 1 1 d . . .
H21 H 0.5848 0.6847 0.0720 0.065 Uiso 1 1 calc R . .
C22 C 0.4745(4) 0.7825(2) 0.0537(2) 0.0769(12) Uani 1 1 d . . .
H22 H 0.5053 0.8101 0.0916 0.092 Uiso 1 1 calc R . .
C23 C 0.3769(4) 0.80381(16) -0.0012(2) 0.0740(11) Uani 1 1 d . . .
H23 H 0.3306 0.8478 -0.0064 0.089 Uiso 1 1 calc R . .
C24 C 0.3605(3) 0.74698(16) -0.04786(15) 0.0543(7) Uani 1 1 d . . .
H24 H 0.3020 0.7473 -0.0895 0.065 Uiso 1 1 calc R . .
C25 C 0.2191(4) 0.70972(18) 0.13366(16) 0.0660(9) Uani 1 1 d . . .
H25 H 0.2595 0.7305 0.1742 0.079 Uiso 1 1 calc R . .
C26 C 0.1158(4) 0.74133(17) 0.08483(18) 0.0635(8) Uani 1 1 d . . .
H26 H 0.0763 0.7867 0.0873 0.076 Uiso 1 1 calc R . .
C27 C 0.0825(3) 0.69248(18) 0.03184(18) 0.0623(8) Uani 1 1 d . . .
H27 H 0.0169 0.6996 -0.0070 0.075 Uiso 1 1 calc R . .
C28 C 0.1661(3) 0.63069(16) 0.04781(17) 0.0578(8) Uani 1 1 d . . .
H28 H 0.1652 0.5899 0.0212 0.069 Uiso 1 1 calc R . .
C29 C 0.2510(4) 0.64106(17) 0.11064(17) 0.0624(8) Uani 1 1 d . . .
H29 H 0.3163 0.6086 0.1330 0.075 Uiso 1 1 calc R . .
C30 C 0.6904(3) 0.64935(14) -0.25071(14) 0.0458(6) Uani 1 1 d . . .
H30A H 0.6007 0.6660 -0.2753 0.069 Uiso 1 1 calc R . .
H30B H 0.7602 0.6403 -0.2818 0.069 Uiso 1 1 calc R . .
H30C H 0.7282 0.6849 -0.2185 0.069 Uiso 1 1 calc R . .


_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
Fe1 C28 2.026(3) . ?
Fe1 C21 2.029(3) . ?
Fe1 C29 2.029(3) . ?
Fe1 C22 2.030(3) . ?
Fe1 C20 2.031(2) . ?
Fe1 C25 2.034(3) . ?
Fe1 C27 2.037(3) . ?
Fe1 C26 2.037(3) . ?
Fe1 C24 2.038(3) . ?
Fe1 C23 2.039(3) . ?
Fe2 C11 2.026(3) . ?
Fe2 C6 2.028(3) . ?
Fe2 C10 2.030(3) . ?
Fe2 C8 2.031(3) . ?
Fe2 C5 2.031(2) . ?
Fe2 C12 2.032(3) . ?
Fe2 C9 2.033(3) . ?
Fe2 C13 2.037(3) . ?
Fe2 C7 2.037(3) . ?
Fe2 C14 2.040(3) . ?
P1 N2 1.5837(17) . ?
P1 N1 1.6292(19) . ?
P1 N5 1.6579(18) . ?
P1 N4 1.6596(19) . ?
P2 N1 1.5585(19) . ?
P2 N3 1.5602(19) . ?
P2 Cl2 2.0165(8) . ?
P2 Cl1 2.0307(9) . ?
P3 N2 1.5951(17) . ?
P3 N3 1.6055(19) . ?
P3 N7 1.6517(19) . ?
P3 N6 1.6582(18) . ?
N4 C3 1.474(3) . ?
N4 C4 1.484(3) . ?
N5 C15 1.465(3) . ?
N5 C1 1.471(3) . ?
N6 C30 1.469(3) . ?
N6 C16 1.474(3) . ?
N7 C18 1.461(3) . ?
N7 C19 1.477(3) . ?
C1 C2 1.504(4) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C2 1.511(4) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.421(4) . ?
C5 C9 1.423(4) . ?
C5 C4 1.493(3) . ?
C6 C7 1.414(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.397(6) . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C9 C8 1.424(5) . ?
C9 H9 0.9300 . ?
C10 C14 1.388(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.396(6) . ?
C11 C10 1.403(5) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.377(5) . ?
C13 C12 1.395(6) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C17 1.522(4) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.522(4) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.414(3) . ?
C20 C24 1.415(4) . ?
C20 C19 1.491(3) . ?
C21 H21 0.9300 . ?
C22 C23 1.386(6) . ?
C22 C21 1.418(5) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 C23 1.408(5) . ?
C24 H24 0.9300 . ?
C25 C29 1.410(4) . ?
C25 H25 0.9300 . ?
C26 C27 1.401(5) . ?
C26 C25 1.405(5) . ?
C26 H26 0.9300 . ?
C27 C28 1.407(4) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 C28 1.403(5) . ?
C29 H29 0.9300 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?

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
C28 Fe1 C21 125.74(13) . . ?
C28 Fe1 C29 40.48(13) . . ?
C21 Fe1 C29 106.10(14) . . ?
C28 Fe1 C22 163.80(17) . . ?
C21 Fe1 C22 40.90(13) . . ?
C29 Fe1 C22 126.42(18) . . ?
C28 Fe1 C20 107.24(11) . . ?
C21 Fe1 C20 40.78(10) . . ?
C29 Fe1 C20 117.65(12) . . ?
C22 Fe1 C20 68.38(11) . . ?
C28 Fe1 C25 67.89(13) . . ?
C21 Fe1 C25 118.24(14) . . ?
C29 Fe1 C25 40.61(13) . . ?
C22 Fe1 C25 108.22(15) . . ?
C20 Fe1 C25 152.12(13) . . ?
C28 Fe1 C27 40.52(13) . . ?
C21 Fe1 C27 164.10(13) . . ?
C29 Fe1 C27 68.21(14) . . ?
C22 Fe1 C27 154.26(15) . . ?
C20 Fe1 C27 127.37(12) . . ?
C25 Fe1 C27 67.81(15) . . ?
C28 Fe1 C26 67.91(12) . . ?
C21 Fe1 C26 153.17(13) . . ?
C29 Fe1 C26 68.24(13) . . ?
C22 Fe1 C26 120.10(13) . . ?
C20 Fe1 C26 165.49(13) . . ?
C25 Fe1 C26 40.38(14) . . ?
C27 Fe1 C26 40.23(13) . . ?
C28 Fe1 C24 120.18(13) . . ?
C21 Fe1 C24 68.16(12) . . ?
C29 Fe1 C24 153.05(13) . . ?
C22 Fe1 C24 67.41(15) . . ?
C20 Fe1 C24 40.72(11) . . ?
C25 Fe1 C24 165.63(13) . . ?
C27 Fe1 C24 109.74(14) . . ?
C26 Fe1 C24 128.70(13) . . ?
C28 Fe1 C23 154.78(17) . . ?
C21 Fe1 C23 68.27(15) . . ?
C29 Fe1 C23 164.06(17) . . ?
C22 Fe1 C23 39.81(16) . . ?
C20 Fe1 C23 68.53(12) . . ?
C25 Fe1 C23 127.61(14) . . ?
C27 Fe1 C23 121.11(16) . . ?
C26 Fe1 C23 109.63(13) . . ?
C24 Fe1 C23 40.40(14) . . ?
C11 Fe2 C6 125.98(15) . . ?
C11 Fe2 C10 40.46(16) . . ?
C6 Fe2 C10 163.76(15) . . ?
C11 Fe2 C8 155.9(2) . . ?
C6 Fe2 C8 68.20(16) . . ?
C10 Fe2 C8 121.09(18) . . ?
C11 Fe2 C5 107.76(13) . . ?
C6 Fe2 C5 40.99(11) . . ?
C10 Fe2 C5 126.56(14) . . ?
C8 Fe2 C5 69.07(11) . . ?
C11 Fe2 C12 40.23(17) . . ?
C6 Fe2 C12 107.89(15) . . ?
C10 Fe2 C12 67.41(16) . . ?
C8 Fe2 C12 162.3(2) . . ?
C5 Fe2 C12 120.14(14) . . ?
C11 Fe2 C9 120.90(16) . . ?
C6 Fe2 C9 68.48(14) . . ?
C10 Fe2 C9 108.89(15) . . ?
C8 Fe2 C9 41.02(13) . . ?
C5 Fe2 C9 41.00(11) . . ?
C12 Fe2 C9 155.39(17) . . ?
C11 Fe2 C13 67.47(16) . . ?
C6 Fe2 C13 120.31(14) . . ?
C10 Fe2 C13 66.91(15) . . ?
C8 Fe2 C13 125.61(16) . . ?
C5 Fe2 C13 154.82(14) . . ?
C12 Fe2 C13 40.11(17) . . ?
C9 Fe2 C13 163.02(15) . . ?
C11 Fe2 C7 162.9(2) . . ?
C6 Fe2 C7 40.70(14) . . ?
C10 Fe2 C7 154.71(17) . . ?
C8 Fe2 C7 40.16(16) . . ?
C5 Fe2 C7 68.95(12) . . ?
C12 Fe2 C7 125.7(2) . . ?
C9 Fe2 C7 68.37(16) . . ?
C13 Fe2 C7 107.94(16) . . ?
C11 Fe2 C14 67.47(15) . . ?
C6 Fe2 C14 154.39(14) . . ?
C10 Fe2 C14 39.87(15) . . ?
C8 Fe2 C14 108.54(15) . . ?
C5 Fe2 C14 163.78(14) . . ?
C12 Fe2 C14 67.02(15) . . ?
C9 Fe2 C14 126.82(14) . . ?
C13 Fe2 C14 39.48(14) . . ?
C7 Fe2 C14 120.28(15) . . ?
N2 P1 N1 114.08(9) . . ?
N2 P1 N5 109.78(10) . . ?
N1 P1 N5 108.52(10) . . ?
N2 P1 N4 111.11(10) . . ?
N1 P1 N4 109.18(11) . . ?
N5 P1 N4 103.63(9) . . ?
N1 P2 N3 121.60(10) . . ?
N1 P2 Cl2 109.19(8) . . ?
N3 P2 Cl2 106.96(8) . . ?
N1 P2 Cl1 109.43(9) . . ?
N3 P2 Cl1 107.87(8) . . ?
Cl2 P2 Cl1 99.53(4) . . ?
N2 P3 N3 115.57(9) . . ?
N2 P3 N7 110.74(10) . . ?
N3 P3 N7 106.96(10) . . ?
N2 P3 N6 109.70(9) . . ?
N3 P3 N6 108.90(10) . . ?
N7 P3 N6 104.35(10) . . ?
P2 N1 P1 121.41(12) . . ?
P1 N2 P3 124.54(11) . . ?
P2 N3 P3 118.71(11) . . ?
C3 N4 C4 112.38(19) . . ?
C3 N4 P1 117.37(16) . . ?
C4 N4 P1 111.74(14) . . ?
C15 N5 C1 112.3(2) . . ?
C15 N5 P1 113.70(16) . . ?
C1 N5 P1 116.20(17) . . ?
C30 N6 C16 114.16(18) . . ?
C30 N6 P3 118.51(15) . . ?
C16 N6 P3 112.67(15) . . ?
C18 N7 C19 113.0(2) . . ?
C18 N7 P3 117.83(16) . . ?
C19 N7 P3 115.53(16) . . ?
N5 C1 C2 109.9(2) . . ?
N5 C1 H1A 109.7 . . ?
C2 C1 H1A 109.7 . . ?
N5 C1 H1B 109.7 . . ?
C2 C1 H1B 109.7 . . ?
H1A C1 H1B 108.2 . . ?
C1 C2 C3 112.9(2) . . ?
C1 C2 H2A 109.0 . . ?
C3 C2 H2A 109.0 . . ?
C1 C2 H2B 109.0 . . ?
C3 C2 H2B 109.0 . . ?
H2A C2 H2B 107.8 . . ?
N4 C3 C2 111.2(2) . . ?
N4 C3 H3A 109.4 . . ?
C2 C3 H3A 109.4 . . ?
N4 C3 H3B 109.4 . . ?
C2 C3 H3B 109.4 . . ?
H3A C3 H3B 108.0 . . ?
N4 C4 C5 113.9(2) . . ?
N4 C4 H4A 108.8 . . ?
C5 C4 H4A 108.8 . . ?
N4 C4 H4B 108.8 . . ?
C5 C4 H4B 108.8 . . ?
H4A C4 H4B 107.7 . . ?
C6 C5 C9 106.9(3) . . ?
C6 C5 C4 126.1(3) . . ?
C9 C5 C4 126.8(3) . . ?
C6 C5 Fe2 69.39(15) . . ?
C9 C5 Fe2 69.58(15) . . ?
C4 C5 Fe2 122.74(17) . . ?
C7 C6 C5 108.6(3) . . ?
C7 C6 Fe2 70.00(19) . . ?
C5 C6 Fe2 69.63(16) . . ?
C7 C6 H6 125.7 . . ?
C5 C6 H6 125.7 . . ?
Fe2 C6 H6 126.3 . . ?
C8 C7 C6 108.1(3) . . ?
C8 C7 Fe2 69.7(2) . . ?
C6 C7 Fe2 69.30(18) . . ?
C8 C7 H7 125.9 . . ?
C6 C7 H7 125.9 . . ?
Fe2 C7 H7 126.7 . . ?
C7 C8 C9 108.3(3) . . ?
C7 C8 Fe2 70.16(19) . . ?
C9 C8 Fe2 69.57(17) . . ?
C7 C8 H8 125.8 . . ?
C9 C8 H8 125.8 . . ?
Fe2 C8 H8 126.0 . . ?
C5 C9 C8 108.0(3) . . ?
C5 C9 Fe2 69.43(15) . . ?
C8 C9 Fe2 69.41(18) . . ?
C5 C9 H9 126.0 . . ?
C8 C9 H9 126.0 . . ?
Fe2 C9 H9 126.7 . . ?
C12 C11 C10 107.3(3) . . ?
C12 C11 Fe2 70.1(2) . . ?
C10 C11 Fe2 69.9(2) . . ?
C12 C11 H11 126.3 . . ?
C10 C11 H11 126.3 . . ?
Fe2 C11 H11 125.2 . . ?
C14 C10 C11 108.0(3) . . ?
C14 C10 Fe2 70.42(19) . . ?
C11 C10 Fe2 69.6(2) . . ?
C14 C10 H10 126.0 . . ?
C11 C10 H10 126.0 . . ?
Fe2 C10 H10 125.6 . . ?
C13 C12 C11 107.9(3) . . ?
C13 C12 Fe2 70.1(2) . . ?
C11 C12 Fe2 69.7(2) . . ?
C13 C12 H12 126.0 . . ?
C11 C12 H12 126.0 . . ?
Fe2 C12 H12 125.7 . . ?
C14 C13 C12 108.4(4) . . ?
C14 C13 Fe2 70.37(19) . . ?
C12 C13 Fe2 69.8(2) . . ?
C14 C13 H13 125.8 . . ?
C12 C13 H13 125.8 . . ?
Fe2 C13 H13 125.6 . . ?
C13 C14 C10 108.4(3) . . ?
C13 C14 Fe2 70.15(18) . . ?
C10 C14 Fe2 69.71(18) . . ?
C13 C14 H14 125.8 . . ?
C10 C14 H14 125.8 . . ?
Fe2 C14 H14 125.9 . . ?
N5 C15 H15A 109.5 . . ?
N5 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N5 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N6 C16 C17 110.42(19) . . ?
N6 C16 H16A 109.6 . . ?
C17 C16 H16A 109.6 . . ?
N6 C16 H16B 109.6 . . ?
C17 C16 H16B 109.6 . . ?
H16A C16 H16B 108.1 . . ?
C18 C17 C16 111.6(2) . . ?
C18 C17 H17A 109.3 . . ?
C16 C17 H17A 109.3 . . ?
C18 C17 H17B 109.3 . . ?
C16 C17 H17B 109.3 . . ?
H17A C17 H17B 108.0 . . ?
N7 C18 C17 113.9(2) . . ?
N7 C18 H18A 108.8 . . ?
C17 C18 H18A 108.8 . . ?
N7 C18 H18B 108.8 . . ?
C17 C18 H18B 108.8 . . ?
H18A C18 H18B 107.7 . . ?
N7 C19 C20 112.5(2) . . ?
N7 C19 H19A 109.1 . . ?
C20 C19 H19A 109.1 . . ?
N7 C19 H19B 109.1 . . ?
C20 C19 H19B 109.1 . . ?
H19A C19 H19B 107.8 . . ?
C21 C20 C24 107.3(2) . . ?
C21 C20 C19 127.8(2) . . ?
C24 C20 C19 124.8(2) . . ?
C21 C20 Fe1 69.57(14) . . ?
C24 C20 Fe1 69.93(14) . . ?
C19 C20 Fe1 123.55(16) . . ?
C20 C21 C22 107.3(3) . . ?
C20 C21 Fe1 69.65(14) . . ?
C22 C21 Fe1 69.58(17) . . ?
C20 C21 H21 126.3 . . ?
C22 C21 H21 126.3 . . ?
Fe1 C21 H21 126.0 . . ?
C23 C22 C21 109.0(3) . . ?
C23 C22 Fe1 70.46(18) . . ?
C21 C22 Fe1 69.52(16) . . ?
C23 C22 H22 125.5 . . ?
C21 C22 H22 125.5 . . ?
Fe1 C22 H22 126.1 . . ?
C22 C23 C24 107.8(3) . . ?
C22 C23 Fe1 69.73(19) . . ?
C24 C23 Fe1 69.75(16) . . ?
C22 C23 H23 126.1 . . ?
C24 C23 H23 126.1 . . ?
Fe1 C23 H23 126.0 . . ?
C23 C24 C20 108.5(3) . . ?
C23 C24 Fe1 69.85(18) . . ?
C20 C24 Fe1 69.35(14) . . ?
C23 C24 H24 125.7 . . ?
C20 C24 H24 125.7 . . ?
Fe1 C24 H24 126.6 . . ?
C26 C25 C29 108.2(3) . . ?
C26 C25 Fe1 69.91(17) . . ?
C29 C25 Fe1 69.52(16) . . ?
C26 C25 H25 125.9 . . ?
C29 C25 H25 125.9 . . ?
Fe1 C25 H25 126.3 . . ?
C27 C26 C25 108.0(3) . . ?
C27 C26 Fe1 69.88(17) . . ?
C25 C26 Fe1 69.70(17) . . ?
C27 C26 H26 126.0 . . ?
C25 C26 H26 126.0 . . ?
Fe1 C26 H26 126.0 . . ?
Fe1 C27 H27 126.3 . . ?
C26 C27 C28 107.8(3) . . ?
C26 C27 Fe1 69.89(18) . . ?
C28 C27 Fe1 69.35(17) . . ?
C26 C27 H27 126.1 . . ?
C28 C27 H27 126.1 . . ?
C29 C28 C27 108.5(3) . . ?
C29 C28 Fe1 69.89(17) . . ?
C27 C28 Fe1 70.14(17) . . ?
C29 C28 H28 125.8 . . ?
C27 C28 H28 125.8 . . ?
Fe1 C28 H28 125.8 . . ?
C28 C29 C25 107.4(3) . . ?
C28 C29 Fe1 69.64(17) . . ?
C25 C29 Fe1 69.87(17) . . ?
C28 C29 H29 126.3 . . ?
C25 C29 H29 126.3 . . ?
Fe1 C29 H29 125.8 . . ?
N6 C30 H30A 109.5 . . ?
N6 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
N6 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?

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
N2 P3 N6 C30 155.65(17) . . . . ?
N3 P3 N6 C30 28.3(2) . . . . ?
N7 P3 N6 C30 -85.67(19) . . . . ?
N2 P3 N6 C16 -67.32(17) . . . . ?
N3 P3 N6 C16 165.30(15) . . . . ?
N7 P3 N6 C16 51.36(17) . . . . ?
N2 P1 N4 C3 161.82(18) . . . . ?
N1 P1 N4 C3 -71.5(2) . . . . ?
N5 P1 N4 C3 44.0(2) . . . . ?
N2 P1 N4 C4 -66.28(19) . . . . ?
N1 P1 N4 C4 60.40(19) . . . . ?
N5 P1 N4 C4 175.89(17) . . . . ?
N1 P1 N2 P3 -12.79(18) . . . . ?
N5 P1 N2 P3 -134.83(13) . . . . ?
N4 P1 N2 P3 111.14(14) . . . . ?
N3 P3 N2 P1 21.57(17) . . . . ?
N7 P3 N2 P1 143.36(13) . . . . ?
N6 P3 N2 P1 -101.99(14) . . . . ?
N2 P1 N5 C15 61.6(2) . . . . ?
N1 P1 N5 C15 -63.7(2) . . . . ?
N4 P1 N5 C15 -179.65(18) . . . . ?
N2 P1 N5 C1 -165.71(17) . . . . ?
N1 P1 N5 C1 69.0(2) . . . . ?
N4 P1 N5 C1 -47.0(2) . . . . ?
N1 P2 N3 P3 16.3(2) . . . . ?
Cl2 P2 N3 P3 142.53(11) . . . . ?
Cl1 P2 N3 P3 -111.19(12) . . . . ?
N2 P3 N3 P2 -22.26(17) . . . . ?
N7 P3 N3 P2 -146.07(13) . . . . ?
N6 P3 N3 P2 101.71(14) . . . . ?
C30 N6 C16 C17 75.8(3) . . . . ?
P3 N6 C16 C17 -63.2(2) . . . . ?
C28 Fe1 C20 C21 -125.20(19) . . . . ?
C29 Fe1 C20 C21 -82.6(2) . . . . ?
C22 Fe1 C20 C21 38.2(2) . . . . ?
C25 Fe1 C20 C21 -50.0(3) . . . . ?
C27 Fe1 C20 C21 -165.33(19) . . . . ?
C26 Fe1 C20 C21 166.7(4) . . . . ?
C24 Fe1 C20 C21 118.3(2) . . . . ?
C23 Fe1 C20 C21 81.2(2) . . . . ?
C28 Fe1 C20 C24 116.50(19) . . . . ?
C21 Fe1 C20 C24 -118.3(2) . . . . ?
C29 Fe1 C20 C24 159.07(19) . . . . ?
C22 Fe1 C20 C24 -80.0(2) . . . . ?
C25 Fe1 C20 C24 -168.3(3) . . . . ?
C27 Fe1 C20 C24 76.4(2) . . . . ?
C26 Fe1 C20 C24 48.4(5) . . . . ?
C23 Fe1 C20 C24 -37.1(2) . . . . ?
C28 Fe1 C20 C19 -2.6(2) . . . . ?
C21 Fe1 C20 C19 122.6(3) . . . . ?
C29 Fe1 C20 C19 39.9(3) . . . . ?
C22 Fe1 C20 C19 160.8(3) . . . . ?
C25 Fe1 C20 C19 72.5(3) . . . . ?
C27 Fe1 C20 C19 -42.8(3) . . . . ?
C26 Fe1 C20 C19 -70.8(5) . . . . ?
C24 Fe1 C20 C19 -119.1(3) . . . . ?
C23 Fe1 C20 C19 -156.3(3) . . . . ?
N2 P3 N7 C18 74.3(2) . . . . ?
N3 P3 N7 C18 -158.94(19) . . . . ?
N6 P3 N7 C18 -43.6(2) . . . . ?
N2 P3 N7 C19 -63.5(2) . . . . ?
N3 P3 N7 C19 63.2(2) . . . . ?
N6 P3 N7 C19 178.54(18) . . . . ?
N6 C16 C17 C18 61.5(3) . . . . ?
N3 P2 N1 P1 -7.4(2) . . . . ?
Cl2 P2 N1 P1 -132.62(13) . . . . ?
Cl1 P2 N1 P1 119.40(14) . . . . ?
N2 P1 N1 P2 5.0(2) . . . . ?
N5 P1 N1 P2 127.75(15) . . . . ?
N4 P1 N1 P2 -119.94(15) . . . . ?
C15 N5 C1 C2 -169.0(2) . . . . ?
P1 N5 C1 C2 57.6(3) . . . . ?
C11 Fe2 C5 C6 -124.9(2) . . . . ?
C10 Fe2 C5 C6 -165.7(2) . . . . ?
C8 Fe2 C5 C6 80.4(2) . . . . ?
C12 Fe2 C5 C6 -82.7(2) . . . . ?
C9 Fe2 C5 C6 118.1(3) . . . . ?
C13 Fe2 C5 C6 -50.2(4) . . . . ?
C7 Fe2 C5 C6 37.3(2) . . . . ?
C14 Fe2 C5 C6 165.0(4) . . . . ?
C11 Fe2 C5 C9 117.0(2) . . . . ?
C6 Fe2 C5 C9 -118.1(3) . . . . ?
C10 Fe2 C5 C9 76.2(2) . . . . ?
C8 Fe2 C5 C9 -37.7(2) . . . . ?
C12 Fe2 C5 C9 159.2(2) . . . . ?
C13 Fe2 C5 C9 -168.4(3) . . . . ?
C7 Fe2 C5 C9 -80.8(2) . . . . ?
C14 Fe2 C5 C9 46.8(5) . . . . ?
C11 Fe2 C5 C4 -4.4(3) . . . . ?
C6 Fe2 C5 C4 120.5(3) . . . . ?
C10 Fe2 C5 C4 -45.2(3) . . . . ?
C8 Fe2 C5 C4 -159.1(3) . . . . ?
C12 Fe2 C5 C4 37.8(3) . . . . ?
C9 Fe2 C5 C4 -121.4(3) . . . . ?
C13 Fe2 C5 C4 70.3(4) . . . . ?
C7 Fe2 C5 C4 157.8(3) . . . . ?
C14 Fe2 C5 C4 -74.5(5) . . . . ?
C28 Fe1 C22 C23 159.2(4) . . . . ?
C21 Fe1 C22 C23 120.1(3) . . . . ?
C29 Fe1 C22 C23 -168.9(2) . . . . ?
C20 Fe1 C22 C23 82.0(2) . . . . ?
C25 Fe1 C22 C23 -127.5(2) . . . . ?
C27 Fe1 C22 C23 -50.9(4) . . . . ?
C26 Fe1 C22 C23 -84.9(2) . . . . ?
C24 Fe1 C22 C23 37.90(19) . . . . ?
C28 Fe1 C22 C21 39.1(6) . . . . ?
C29 Fe1 C22 C21 71.0(2) . . . . ?
C20 Fe1 C22 C21 -38.14(18) . . . . ?
C25 Fe1 C22 C21 112.4(2) . . . . ?
C27 Fe1 C22 C21 -171.1(3) . . . . ?
C26 Fe1 C22 C21 154.98(19) . . . . ?
C24 Fe1 C22 C21 -82.2(2) . . . . ?
C23 Fe1 C22 C21 -120.1(3) . . . . ?
C28 Fe1 C26 C27 -37.8(2) . . . . ?
C21 Fe1 C26 C27 -164.2(3) . . . . ?
C29 Fe1 C26 C27 -81.6(2) . . . . ?
C22 Fe1 C26 C27 157.9(2) . . . . ?
C20 Fe1 C26 C27 35.3(5) . . . . ?
C25 Fe1 C26 C27 -119.2(3) . . . . ?
C24 Fe1 C26 C27 73.9(2) . . . . ?
C23 Fe1 C26 C27 115.3(2) . . . . ?
C28 Fe1 C26 C25 81.4(2) . . . . ?
C21 Fe1 C26 C25 -45.1(4) . . . . ?
C29 Fe1 C26 C25 37.6(2) . . . . ?
C22 Fe1 C26 C25 -82.9(3) . . . . ?
C20 Fe1 C26 C25 154.4(4) . . . . ?
C27 Fe1 C26 C25 119.2(3) . . . . ?
C24 Fe1 C26 C25 -166.9(2) . . . . ?
C23 Fe1 C26 C25 -125.5(2) . . . . ?
C6 C5 C9 C8 -0.7(3) . . . . ?
C4 C5 C9 C8 175.1(3) . . . . ?
Fe2 C5 C9 C8 58.9(2) . . . . ?
C6 C5 C9 Fe2 -59.62(19) . . . . ?
C4 C5 C9 Fe2 116.2(3) . . . . ?
C11 Fe2 C9 C5 -81.6(2) . . . . ?
C6 Fe2 C9 C5 38.44(18) . . . . ?
C10 Fe2 C9 C5 -124.5(2) . . . . ?
C8 Fe2 C9 C5 119.5(3) . . . . ?
C12 Fe2 C9 C5 -47.7(4) . . . . ?
C13 Fe2 C9 C5 162.9(5) . . . . ?
C7 Fe2 C9 C5 82.4(2) . . . . ?
C14 Fe2 C9 C5 -165.26(19) . . . . ?
C11 Fe2 C9 C8 158.9(2) . . . . ?
C6 Fe2 C9 C8 -81.1(2) . . . . ?
C10 Fe2 C9 C8 116.0(3) . . . . ?
C5 Fe2 C9 C8 -119.5(3) . . . . ?
C12 Fe2 C9 C8 -167.2(4) . . . . ?
C13 Fe2 C9 C8 43.4(6) . . . . ?
C7 Fe2 C9 C8 -37.2(2) . . . . ?
C14 Fe2 C9 C8 75.2(3) . . . . ?
C9 C5 C6 C7 0.4(3) . . . . ?
C4 C5 C6 C7 -175.5(3) . . . . ?
Fe2 C5 C6 C7 -59.3(2) . . . . ?
C9 C5 C6 Fe2 59.74(19) . . . . ?
C4 C5 C6 Fe2 -116.2(2) . . . . ?
C11 Fe2 C6 C7 -165.3(3) . . . . ?
C10 Fe2 C6 C7 165.1(5) . . . . ?
C8 Fe2 C6 C7 37.1(2) . . . . ?
C5 Fe2 C6 C7 119.9(3) . . . . ?
C12 Fe2 C6 C7 -124.5(3) . . . . ?
C9 Fe2 C6 C7 81.4(2) . . . . ?
C13 Fe2 C6 C7 -82.4(3) . . . . ?
C14 Fe2 C6 C7 -50.5(4) . . . . ?
C11 Fe2 C6 C5 74.9(2) . . . . ?
C10 Fe2 C6 C5 45.3(6) . . . . ?
C8 Fe2 C6 C5 -82.7(2) . . . . ?
C12 Fe2 C6 C5 115.7(2) . . . . ?
C9 Fe2 C6 C5 -38.45(17) . . . . ?
C13 Fe2 C6 C5 157.74(19) . . . . ?
C7 Fe2 C6 C5 -119.9(3) . . . . ?
C14 Fe2 C6 C5 -170.3(3) . . . . ?
C21 C20 C24 C23 -0.7(3) . . . . ?
C19 C20 C24 C23 176.6(2) . . . . ?
Fe1 C20 C24 C23 59.0(2) . . . . ?
C21 C20 C24 Fe1 -59.80(18) . . . . ?
C19 C20 C24 Fe1 117.6(2) . . . . ?
C28 Fe1 C24 C23 158.6(2) . . . . ?
C21 Fe1 C24 C23 -81.7(2) . . . . ?
C29 Fe1 C24 C23 -164.3(3) . . . . ?
C22 Fe1 C24 C23 -37.4(2) . . . . ?
C20 Fe1 C24 C23 -120.0(3) . . . . ?
C25 Fe1 C24 C23 37.6(7) . . . . ?
C27 Fe1 C24 C23 115.2(2) . . . . ?
C26 Fe1 C24 C23 73.9(3) . . . . ?
C28 Fe1 C24 C20 -81.37(19) . . . . ?
C21 Fe1 C24 C20 38.28(16) . . . . ?
C29 Fe1 C24 C20 -44.3(4) . . . . ?
C22 Fe1 C24 C20 82.62(19) . . . . ?
C25 Fe1 C24 C20 157.6(5) . . . . ?
C27 Fe1 C24 C20 -124.85(17) . . . . ?
C26 Fe1 C24 C20 -166.11(16) . . . . ?
C23 Fe1 C24 C20 120.0(3) . . . . ?
C19 N7 C18 C17 -174.5(2) . . . . ?
P3 N7 C18 C17 46.6(3) . . . . ?
C16 C17 C18 N7 -52.6(3) . . . . ?
C18 N7 C19 C20 87.6(3) . . . . ?
P3 N7 C19 C20 -132.6(2) . . . . ?
C21 C20 C19 N7 -93.2(3) . . . . ?
C24 C20 C19 N7 90.0(3) . . . . ?
Fe1 C20 C19 N7 177.66(16) . . . . ?
C3 N4 C4 C5 -67.1(3) . . . . ?
P1 N4 C4 C5 158.48(19) . . . . ?
C6 C5 C4 N4 -80.2(3) . . . . ?
C9 C5 C4 N4 104.7(3) . . . . ?
Fe2 C5 C4 N4 -167.42(17) . . . . ?
C4 N4 C3 C2 176.7(2) . . . . ?
P1 N4 C3 C2 -51.7(3) . . . . ?
C11 Fe2 C13 C14 -81.4(3) . . . . ?
C6 Fe2 C13 C14 158.9(2) . . . . ?
C10 Fe2 C13 C14 -37.4(2) . . . . ?
C8 Fe2 C13 C14 75.3(3) . . . . ?
C5 Fe2 C13 C14 -165.3(3) . . . . ?
C12 Fe2 C13 C14 -119.2(4) . . . . ?
C9 Fe2 C13 C14 41.6(6) . . . . ?
C7 Fe2 C13 C14 116.1(3) . . . . ?
C11 Fe2 C13 C12 37.8(2) . . . . ?
C6 Fe2 C13 C12 -81.8(3) . . . . ?
C10 Fe2 C13 C12 81.8(3) . . . . ?
C8 Fe2 C13 C12 -165.5(3) . . . . ?
C5 Fe2 C13 C12 -46.1(4) . . . . ?
C9 Fe2 C13 C12 160.8(5) . . . . ?
C7 Fe2 C13 C12 -124.6(3) . . . . ?
C14 Fe2 C13 C12 119.2(4) . . . . ?
N5 C1 C2 C3 -61.1(3) . . . . ?
N4 C3 C2 C1 58.2(3) . . . . ?
C24 C20 C21 C22 0.4(3) . . . . ?
C19 C20 C21 C22 -176.9(2) . . . . ?
Fe1 C20 C21 C22 -59.6(2) . . . . ?
C24 C20 C21 Fe1 60.03(18) . . . . ?
C19 C20 C21 Fe1 -117.2(2) . . . . ?
C23 C22 C21 C20 0.1(4) . . . . ?
Fe1 C22 C21 C20 59.69(19) . . . . ?
C23 C22 C21 Fe1 -59.6(2) . . . . ?
C28 Fe1 C21 C20 74.0(2) . . . . ?
C29 Fe1 C21 C20 113.89(18) . . . . ?
C22 Fe1 C21 C20 -118.5(3) . . . . ?
C25 Fe1 C21 C20 155.99(16) . . . . ?
C27 Fe1 C21 C20 47.3(6) . . . . ?
C26 Fe1 C21 C20 -172.6(2) . . . . ?
C24 Fe1 C21 C20 -38.23(16) . . . . ?
C23 Fe1 C21 C20 -81.9(2) . . . . ?
C28 Fe1 C21 C22 -167.5(2) . . . . ?
C29 Fe1 C21 C22 -127.6(2) . . . . ?
C20 Fe1 C21 C22 118.5(3) . . . . ?
C25 Fe1 C21 C22 -85.5(3) . . . . ?
C27 Fe1 C21 C22 165.8(5) . . . . ?
C26 Fe1 C21 C22 -54.2(4) . . . . ?
C24 Fe1 C21 C22 80.3(2) . . . . ?
C23 Fe1 C21 C22 36.6(2) . . . . ?
C6 Fe2 C11 C12 74.3(3) . . . . ?
C10 Fe2 C11 C12 -118.0(3) . . . . ?
C8 Fe2 C11 C12 -165.7(3) . . . . ?
C5 Fe2 C11 C12 116.0(2) . . . . ?
C9 Fe2 C11 C12 158.9(2) . . . . ?
C13 Fe2 C11 C12 -37.7(2) . . . . ?
C7 Fe2 C11 C12 40.0(6) . . . . ?
C14 Fe2 C11 C12 -80.6(2) . . . . ?
C6 Fe2 C11 C10 -167.7(2) . . . . ?
C8 Fe2 C11 C10 -47.7(4) . . . . ?
C5 Fe2 C11 C10 -126.0(2) . . . . ?
C12 Fe2 C11 C10 118.0(3) . . . . ?
C9 Fe2 C11 C10 -83.1(2) . . . . ?
C13 Fe2 C11 C10 80.3(2) . . . . ?
C7 Fe2 C11 C10 158.0(4) . . . . ?
C14 Fe2 C11 C10 37.4(2) . . . . ?
C27 C26 C25 C29 0.4(4) . . . . ?
Fe1 C26 C25 C29 -59.2(2) . . . . ?
C27 C26 C25 Fe1 59.6(2) . . . . ?
C28 Fe1 C25 C26 -81.4(2) . . . . ?
C21 Fe1 C25 C26 158.74(19) . . . . ?
C29 Fe1 C25 C26 -119.5(3) . . . . ?
C22 Fe1 C25 C26 115.3(2) . . . . ?
C20 Fe1 C25 C26 -166.6(2) . . . . ?
C27 Fe1 C25 C26 -37.5(2) . . . . ?
C24 Fe1 C25 C26 45.5(6) . . . . ?
C23 Fe1 C25 C26 75.4(3) . . . . ?
C28 Fe1 C25 C29 38.0(2) . . . . ?
C21 Fe1 C25 C29 -81.8(2) . . . . ?
C22 Fe1 C25 C29 -125.2(2) . . . . ?
C20 Fe1 C25 C29 -47.2(4) . . . . ?
C27 Fe1 C25 C29 81.9(2) . . . . ?
C26 Fe1 C25 C29 119.5(3) . . . . ?
C24 Fe1 C25 C29 164.9(5) . . . . ?
C23 Fe1 C25 C29 -165.1(2) . . . . ?
C5 C6 C7 C8 0.0(4) . . . . ?
Fe2 C6 C7 C8 -59.0(2) . . . . ?
C5 C6 C7 Fe2 59.1(2) . . . . ?
C11 Fe2 C7 C8 164.1(4) . . . . ?
C6 Fe2 C7 C8 119.7(3) . . . . ?
C10 Fe2 C7 C8 -50.7(4) . . . . ?
C5 Fe2 C7 C8 82.1(2) . . . . ?
C12 Fe2 C7 C8 -165.2(2) . . . . ?
C9 Fe2 C7 C8 37.94(19) . . . . ?
C13 Fe2 C7 C8 -124.4(2) . . . . ?
C14 Fe2 C7 C8 -83.1(2) . . . . ?
C11 Fe2 C7 C6 44.4(6) . . . . ?
C10 Fe2 C7 C6 -170.3(3) . . . . ?
C8 Fe2 C7 C6 -119.7(3) . . . . ?
C5 Fe2 C7 C6 -37.55(19) . . . . ?
C12 Fe2 C7 C6 75.2(3) . . . . ?
C9 Fe2 C7 C6 -81.7(2) . . . . ?
C13 Fe2 C7 C6 115.9(2) . . . . ?
C14 Fe2 C7 C6 157.3(2) . . . . ?
C6 C7 C8 C9 -0.5(4) . . . . ?
Fe2 C7 C8 C9 -59.3(2) . . . . ?
C6 C7 C8 Fe2 58.8(2) . . . . ?
C5 C9 C8 C7 0.8(4) . . . . ?
Fe2 C9 C8 C7 59.7(2) . . . . ?
C5 C9 C8 Fe2 -58.9(2) . . . . ?
C11 Fe2 C8 C7 -168.6(3) . . . . ?
C6 Fe2 C8 C7 -37.61(19) . . . . ?
C10 Fe2 C8 C7 157.3(2) . . . . ?
C5 Fe2 C8 C7 -81.8(2) . . . . ?
C12 Fe2 C8 C7 42.9(6) . . . . ?
C9 Fe2 C8 C7 -119.4(3) . . . . ?
C13 Fe2 C8 C7 74.9(3) . . . . ?
C14 Fe2 C8 C7 115.3(2) . . . . ?
C11 Fe2 C8 C9 -49.2(4) . . . . ?
C6 Fe2 C8 C9 81.8(2) . . . . ?
C10 Fe2 C8 C9 -83.3(2) . . . . ?
C5 Fe2 C8 C9 37.67(19) . . . . ?
C12 Fe2 C8 C9 162.4(4) . . . . ?
C13 Fe2 C8 C9 -165.7(2) . . . . ?
C7 Fe2 C8 C9 119.4(3) . . . . ?
C14 Fe2 C8 C9 -125.3(2) . . . . ?
C25 C26 C27 C28 -0.3(3) . . . . ?
Fe1 C26 C27 C28 59.2(2) . . . . ?
C25 C26 C27 Fe1 -59.5(2) . . . . ?
C28 Fe1 C27 C26 119.1(3) . . . . ?
C21 Fe1 C27 C26 153.4(4) . . . . ?
C29 Fe1 C27 C26 81.6(2) . . . . ?
C22 Fe1 C27 C26 -48.4(4) . . . . ?
C20 Fe1 C27 C26 -169.51(18) . . . . ?
C25 Fe1 C27 C26 37.7(2) . . . . ?
C24 Fe1 C27 C26 -127.2(2) . . . . ?
C23 Fe1 C27 C26 -83.9(2) . . . . ?
C21 Fe1 C27 C28 34.2(6) . . . . ?
C29 Fe1 C27 C28 -37.51(19) . . . . ?
C22 Fe1 C27 C28 -167.5(3) . . . . ?
C20 Fe1 C27 C28 71.4(2) . . . . ?
C25 Fe1 C27 C28 -81.5(2) . . . . ?
C26 Fe1 C27 C28 -119.1(3) . . . . ?
C24 Fe1 C27 C28 113.7(2) . . . . ?
C23 Fe1 C27 C28 157.0(2) . . . . ?
C21 C22 C23 C24 -0.6(4) . . . . ?
Fe1 C22 C23 C24 -59.6(2) . . . . ?
C21 C22 C23 Fe1 59.0(2) . . . . ?
C20 C24 C23 C22 0.8(3) . . . . ?
Fe1 C24 C23 C22 59.6(2) . . . . ?
C20 C24 C23 Fe1 -58.74(19) . . . . ?
C28 Fe1 C23 C22 -166.6(3) . . . . ?
C21 Fe1 C23 C22 -37.56(18) . . . . ?
C29 Fe1 C23 C22 34.5(6) . . . . ?
C20 Fe1 C23 C22 -81.6(2) . . . . ?
C25 Fe1 C23 C22 72.1(3) . . . . ?
C27 Fe1 C23 C22 156.8(2) . . . . ?
C26 Fe1 C23 C22 113.8(2) . . . . ?
C24 Fe1 C23 C22 -119.0(3) . . . . ?
C28 Fe1 C23 C24 -47.6(4) . . . . ?
C21 Fe1 C23 C24 81.4(2) . . . . ?
C29 Fe1 C23 C24 153.4(4) . . . . ?
C22 Fe1 C23 C24 119.0(3) . . . . ?
C20 Fe1 C23 C24 37.38(18) . . . . ?
C25 Fe1 C23 C24 -169.0(2) . . . . ?
C27 Fe1 C23 C24 -84.2(2) . . . . ?
C26 Fe1 C23 C24 -127.2(2) . . . . ?
C26 C25 C29 C28 -0.4(3) . . . . ?
Fe1 C25 C29 C28 -59.8(2) . . . . ?
C26 C25 C29 Fe1 59.4(2) . . . . ?
C21 Fe1 C29 C28 -126.75(18) . . . . ?
C22 Fe1 C29 C28 -166.86(18) . . . . ?
C20 Fe1 C29 C28 -84.4(2) . . . . ?
C25 Fe1 C29 C28 118.4(3) . . . . ?
C27 Fe1 C29 C28 37.55(19) . . . . ?
C26 Fe1 C29 C28 81.0(2) . . . . ?
C24 Fe1 C29 C28 -53.4(4) . . . . ?
C23 Fe1 C29 C28 166.4(5) . . . . ?
C28 Fe1 C29 C25 -118.4(3) . . . . ?
C21 Fe1 C29 C25 114.8(2) . . . . ?
C22 Fe1 C29 C25 74.7(3) . . . . ?
C20 Fe1 C29 C25 157.2(2) . . . . ?
C27 Fe1 C29 C25 -80.9(2) . . . . ?
C26 Fe1 C29 C25 -37.4(2) . . . . ?
C24 Fe1 C29 C25 -171.8(3) . . . . ?
C23 Fe1 C29 C25 48.0(6) . . . . ?
C25 C29 C28 C27 0.2(3) . . . . ?
Fe1 C29 C28 C27 -59.7(2) . . . . ?
C25 C29 C28 Fe1 59.9(2) . . . . ?
C26 C27 C28 C29 0.1(3) . . . . ?
Fe1 C27 C28 C29 59.6(2) . . . . ?
C26 C27 C28 Fe1 -59.5(2) . . . . ?
C21 Fe1 C28 C29 71.5(2) . . . . ?
C22 Fe1 C28 C29 41.0(5) . . . . ?
C20 Fe1 C28 C29 112.63(19) . . . . ?
C25 Fe1 C28 C29 -38.2(2) . . . . ?
C27 Fe1 C28 C29 -119.4(3) . . . . ?
C26 Fe1 C28 C29 -81.9(2) . . . . ?
C24 Fe1 C28 C29 155.11(18) . . . . ?
C23 Fe1 C28 C29 -171.3(3) . . . . ?
C21 Fe1 C28 C27 -169.06(19) . . . . ?
C29 Fe1 C28 C27 119.4(3) . . . . ?
C22 Fe1 C28 C27 160.4(4) . . . . ?
C20 Fe1 C28 C27 -127.9(2) . . . . ?
C25 Fe1 C28 C27 81.3(2) . . . . ?
C26 Fe1 C28 C27 37.5(2) . . . . ?
C24 Fe1 C28 C27 -85.5(2) . . . . ?
C23 Fe1 C28 C27 -51.9(4) . . . . ?
C12 C11 C10 C14 0.2(4) . . . . ?
Fe2 C11 C10 C14 -60.2(2) . . . . ?
C12 C11 C10 Fe2 60.4(2) . . . . ?
C11 Fe2 C10 C14 118.9(3) . . . . ?
C6 Fe2 C10 C14 156.9(5) . . . . ?
C8 Fe2 C10 C14 -81.8(3) . . . . ?
C5 Fe2 C10 C14 -167.66(19) . . . . ?
C12 Fe2 C10 C14 80.7(3) . . . . ?
C9 Fe2 C10 C14 -125.3(2) . . . . ?
C13 Fe2 C10 C14 37.0(2) . . . . ?
C7 Fe2 C10 C14 -46.2(5) . . . . ?
C6 Fe2 C10 C11 38.0(6) . . . . ?
C8 Fe2 C10 C11 159.3(2) . . . . ?
C5 Fe2 C10 C11 73.5(3) . . . . ?
C12 Fe2 C10 C11 -38.1(2) . . . . ?
C9 Fe2 C10 C11 115.8(2) . . . . ?
C13 Fe2 C10 C11 -81.8(3) . . . . ?
C7 Fe2 C10 C11 -165.0(4) . . . . ?
C14 Fe2 C10 C11 -118.9(3) . . . . ?
C12 C13 C14 C10 -0.2(4) . . . . ?
Fe2 C13 C14 C10 59.4(2) . . . . ?
C12 C13 C14 Fe2 -59.6(2) . . . . ?
C11 C10 C14 C13 0.0(4) . . . . ?
Fe2 C10 C14 C13 -59.7(2) . . . . ?
C11 C10 C14 Fe2 59.7(2) . . . . ?
C11 Fe2 C14 C13 81.4(3) . . . . ?
C6 Fe2 C14 C13 -45.9(4) . . . . ?
C10 Fe2 C14 C13 119.4(3) . . . . ?
C8 Fe2 C14 C13 -124.0(3) . . . . ?
C5 Fe2 C14 C13 157.3(4) . . . . ?
C12 Fe2 C14 C13 37.6(3) . . . . ?
C9 Fe2 C14 C13 -166.0(2) . . . . ?
C7 Fe2 C14 C13 -81.5(3) . . . . ?
C11 Fe2 C14 C10 -38.0(2) . . . . ?
C6 Fe2 C14 C10 -165.3(3) . . . . ?
C8 Fe2 C14 C10 116.6(3) . . . . ?
C5 Fe2 C14 C10 37.9(6) . . . . ?
C12 Fe2 C14 C10 -81.8(3) . . . . ?
C9 Fe2 C14 C10 74.6(3) . . . . ?
C13 Fe2 C14 C10 -119.4(3) . . . . ?
C7 Fe2 C14 C10 159.1(2) . . . . ?
C14 C13 C12 C11 0.3(4) . . . . ?
Fe2 C13 C12 C11 -59.7(2) . . . . ?
C14 C13 C12 Fe2 60.0(3) . . . . ?
C10 C11 C12 C13 -0.3(4) . . . . ?
Fe2 C11 C12 C13 60.0(2) . . . . ?
C10 C11 C12 Fe2 -60.3(2) . . . . ?
C11 Fe2 C12 C13 -118.8(3) . . . . ?
C6 Fe2 C12 C13 116.1(2) . . . . ?
C10 Fe2 C12 C13 -80.5(2) . . . . ?
C8 Fe2 C12 C13 41.9(6) . . . . ?
C5 Fe2 C12 C13 159.2(2) . . . . ?
C9 Fe2 C12 C13 -166.7(3) . . . . ?
C7 Fe2 C12 C13 74.6(3) . . . . ?
C14 Fe2 C12 C13 -37.1(2) . . . . ?
C6 Fe2 C12 C11 -125.1(2) . . . . ?
C10 Fe2 C12 C11 38.4(2) . . . . ?
C8 Fe2 C12 C11 160.7(5) . . . . ?
C5 Fe2 C12 C11 -81.9(2) . . . . ?
C9 Fe2 C12 C11 -47.8(4) . . . . ?
C13 Fe2 C12 C11 118.8(3) . . . . ?
C7 Fe2 C12 C11 -166.5(2) . . . . ?
C14 Fe2 C12 C11 81.8(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        28.42
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.562
_refine_diff_density_min         -0.502
_refine_diff_density_rms         0.077
####################################################################### 
# 
# 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_yasemin10_0m_a
_database_code_depnum_ccdc_archive 'CCDC 1528117'
_audit_update_record             
;
2017-01-17 deposited with the CCDC.
2017-12-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H40 Cl2 Fe2 N7 P3'
_chemical_formula_sum            'C30 H40 Cl2 Fe2 N7 P3'
_chemical_formula_weight         774.20

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'
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'
N N 0.0061 0.0033 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.6671(3)
_cell_length_b                   16.1963(4)
_cell_length_c                   17.2882(4)
_cell_angle_alpha                85.935(4)
_cell_angle_beta                 69.201(3)
_cell_angle_gamma                64.861(3)
_cell_volume                     3460.02(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    8883
_cell_measurement_theta_min      3.06
_cell_measurement_theta_max      27.80

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.486
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1600
_exptl_absorpt_coefficient_mu    1.165
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8322
_exptl_absorpt_correction_T_max  0.8817
_exptl_absorpt_process_details   'SADABS; Bruker, 2012'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            179650
_diffrn_reflns_av_R_equivalents  0.0481
_diffrn_reflns_av_sigmaI/netI    0.0261
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.95
_diffrn_reflns_theta_max         28.35
_reflns_number_total             17216
_reflns_number_gt                12284
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  
'WinGX publication routines (Farrugia, 1999) and PLATON (Spek, 2003)'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0665P)²+4.6276P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_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         17216
_refine_ls_number_parameters     797
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0843
_refine_ls_R_factor_gt           0.0531
_refine_ls_wR_factor_ref         0.1562
_refine_ls_wR_factor_gt          0.1319
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.190
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 0.59012(4) 0.04263(4) 0.19065(3) 0.04647(14) Uani 1 1 d . . .
Fe2 Fe -0.11161(4) 0.31412(4) -0.06809(4) 0.04986(15) Uani 1 1 d . . .
Fe3 Fe -0.14668(5) -0.00615(4) 0.41395(3) 0.04880(15) Uani 1 1 d . . .
Fe4 Fe -0.65068(5) 0.29456(4) 0.52860(3) 0.05308(16) Uani 1 1 d . . .
P1 P 0.20618(7) 0.16672(6) 0.10980(6) 0.03793(19) Uani 1 1 d . . .
P2 P 0.11790(9) 0.34780(7) 0.16907(6) 0.0465(2) Uani 1 1 d . . .
P3 P 0.23031(7) 0.30349(6) -0.00063(5) 0.03626(19) Uani 1 1 d . . .
P4 P -0.22172(8) 0.32043(7) 0.53848(6) 0.0435(2) Uani 1 1 d . . .
P5 P -0.30137(8) 0.25013(7) 0.68509(6) 0.0450(2) Uani 1 1 d . . .
P6 P -0.43203(7) 0.42428(6) 0.65906(6) 0.0408(2) Uani 1 1 d . . .
Cl1 Cl -0.04172(12) 0.43121(10) 0.21638(10) 0.0989(6) Uani 1 1 d . . .
Cl2 Cl 0.1641(2) 0.39112(14) 0.24868(10) 0.1147(7) Uani 1 1 d . . .
Cl3 Cl -0.33658(11) 0.14206(8) 0.68897(8) 0.0693(3) Uani 1 1 d . . .
Cl4 Cl -0.23830(11) 0.22076(10) 0.77606(8) 0.0754(3) Uani 1 1 d . . .
N1 N 0.1323(3) 0.2478(2) 0.18456(19) 0.0483(7) Uani 1 1 d . . .
N2 N 0.2463(3) 0.2026(2) 0.02189(18) 0.0439(7) Uani 1 1 d . . .
N3 N 0.1670(3) 0.3760(2) 0.0807(2) 0.0516(8) Uani 1 1 d . . .
N4 N 0.3046(3) 0.0860(2) 0.1340(2) 0.0508(8) Uani 1 1 d . . .
N5 N 0.1465(2) 0.1001(2) 0.1079(2) 0.0450(7) Uani 1 1 d . . .
N6 N 0.3422(3) 0.3104(3) -0.0583(2) 0.0564(9) Uani 1 1 d . . .
N7 N 0.1741(2) 0.3393(3) -0.07043(19) 0.0498(8) Uani 1 1 d . . .
N8 N -0.2081(3) 0.2401(2) 0.6008(2) 0.0549(9) Uani 1 1 d . . .
N9 N -0.3327(3) 0.4088(2) 0.57486(19) 0.0475(7) Uani 1 1 d . . .
N10 N -0.4090(3) 0.3383(2) 0.7146(2) 0.0569(9) Uani 1 1 d . . .
N11 N -0.1201(3) 0.3482(3) 0.5064(2) 0.0701(11) Uani 1 1 d . . .
N12 N -0.1961(3) 0.2771(2) 0.4464(2) 0.0503(8) Uani 1 1 d . . .
N13 N -0.4753(3) 0.5201(2) 0.7156(2) 0.0567(9) Uani 1 1 d . . .
N14 N -0.5455(3) 0.4532(2) 0.6444(2) 0.0543(8) Uani 1 1 d . . .
C1 C 0.1949(4) 0.0132(3) 0.1418(3) 0.0581(11) Uani 1 1 d . . .
H1A H 0.1903 -0.0358 0.1166 0.070 Uiso 1 1 calc R . .
H1B H 0.1583 0.0184 0.2015 0.070 Uiso 1 1 calc R . .
C2 C 0.3112(3) -0.0050(3) 0.1209(3) 0.0562(10) Uani 1 1 d . . .
H2A H 0.3421 -0.0466 0.1573 0.067 Uiso 1 1 calc R . .
H2B H 0.3542 -0.0307 0.0637 0.067 Uiso 1 1 calc R . .
C3 C 0.4045(3) 0.0943(3) 0.1208(3) 0.0537(10) Uani 1 1 d . . .
H3A H 0.3877 0.1579 0.1325 0.064 Uiso 1 1 calc R . .
H3B H 0.4514 0.0758 0.0630 0.064 Uiso 1 1 calc R . .
C4 C 0.4624(3) 0.0367(3) 0.1748(2) 0.0450(8) Uani 1 1 d . . .
C5 C 0.5532(4) -0.0498(3) 0.1503(3) 0.0578(10) Uani 1 1 d . . .
H5 H 0.5864 -0.0816 0.0978 0.069 Uiso 1 1 calc R . .
C6 C 0.5841(5) -0.0792(4) 0.2196(4) 0.0789(16) Uani 1 1 d . . .
H6 H 0.6419 -0.1334 0.2205 0.095 Uiso 1 1 calc R . .
C7 C 0.5127(5) -0.0126(5) 0.2870(4) 0.0816(17) Uani 1 1 d . . .
H7 H 0.5147 -0.0151 0.3403 0.098 Uiso 1 1 calc R . .
C8 C 0.4375(4) 0.0588(4) 0.2597(3) 0.0632(11) Uani 1 1 d . . .
H8 H 0.3811 0.1114 0.2921 0.076 Uiso 1 1 calc R . .
C9 C 0.7233(5) 0.0418(5) 0.1007(4) 0.0893(18) Uani 1 1 d . . .
H9 H 0.7636 0.0012 0.0529 0.107 Uiso 1 1 calc R . .
C10 C 0.6364(6) 0.1257(6) 0.1100(5) 0.100(2) Uani 1 1 d . . .
H10 H 0.6084 0.1520 0.0691 0.120 Uiso 1 1 calc R . .
C11 C 0.5976(5) 0.1643(4) 0.1923(5) 0.092(2) Uani 1 1 d . . .
H11 H 0.5392 0.2202 0.2155 0.110 Uiso 1 1 calc R . .
C12 C 0.6620(4) 0.1038(5) 0.2319(4) 0.0816(16) Uani 1 1 d . . .
H12 H 0.6547 0.1119 0.2869 0.098 Uiso 1 1 calc R . .
C13 C 0.7394(4) 0.0293(4) 0.1758(4) 0.0841(16) Uani 1 1 d . . .
H13 H 0.7935 -0.0211 0.1866 0.101 Uiso 1 1 calc R . .
C14 C 0.0300(3) 0.1399(3) 0.1280(3) 0.0568(10) Uani 1 1 d . . .
H14A H 0.0072 0.1994 0.1066 0.068 Uiso 1 1 calc R . .
H14B H -0.0060 0.1490 0.1879 0.068 Uiso 1 1 calc R . .
C15 C -0.0040(5) 0.0804(4) 0.0923(4) 0.0784(15) Uani 1 1 d . . .
H15A H -0.0810 0.1089 0.1078 0.118 Uiso 1 1 calc R . .
H15B H 0.0180 0.0216 0.1135 0.118 Uiso 1 1 calc R . .
H15C H 0.0295 0.0730 0.0328 0.118 Uiso 1 1 calc R . .
C16 C 0.3482(4) 0.3299(4) -0.1424(3) 0.0609(11) Uani 1 1 d . . .
H16A H 0.3941 0.2744 -0.1799 0.073 Uiso 1 1 calc R . .
H16B H 0.3779 0.3742 -0.1604 0.073 Uiso 1 1 calc R . .
C17 C 0.2357(4) 0.3675(4) -0.1423(3) 0.0589(11) Uani 1 1 d . . .
H17A H 0.2052 0.4338 -0.1401 0.071 Uiso 1 1 calc R . .
H17B H 0.2357 0.3439 -0.1923 0.071 Uiso 1 1 calc R . .
C18 C 0.0586(3) 0.3697(3) -0.0501(3) 0.0509(9) Uani 1 1 d . . .
H18A H 0.0266 0.4340 -0.0589 0.061 Uiso 1 1 calc R . .
H18B H 0.0256 0.3638 0.0083 0.061 Uiso 1 1 calc R . .
C19 C 0.0340(3) 0.3167(3) -0.1008(2) 0.0444(8) Uani 1 1 d . . .
C20 C -0.0087(4) 0.3472(4) -0.1640(3) 0.0644(12) Uani 1 1 d . . .
H20 H -0.0240 0.4044 -0.1843 0.077 Uiso 1 1 calc R . .
C21 C -0.0243(5) 0.2753(5) -0.1911(3) 0.0862(19) Uani 1 1 d . . .
H21 H -0.0518 0.2770 -0.2324 0.103 Uiso 1 1 calc R . .
C22 C 0.0086(4) 0.2018(4) -0.1454(4) 0.0833(17) Uani 1 1 d . . .
H22 H 0.0060 0.1460 -0.1501 0.100 Uiso 1 1 calc R . .
C23 C 0.0460(3) 0.2261(3) -0.0913(3) 0.0611(11) Uani 1 1 d . . .
H23 H 0.0745 0.1884 -0.0547 0.073 Uiso 1 1 calc R . .
C24 C -0.2054(5) 0.3929(9) 0.0397(6) 0.138(4) Uani 1 1 d . . .
H24 H -0.1820 0.4199 0.0696 0.166 Uiso 1 1 calc R . .
C25 C -0.2043(5) 0.3061(8) 0.0479(5) 0.129(4) Uani 1 1 d . . .
H25 H -0.1797 0.2642 0.0837 0.155 Uiso 1 1 calc R . .
C26 C -0.2467(5) 0.2952(5) -0.0078(6) 0.104(2) Uani 1 1 d . . .
H26 H -0.2564 0.2438 -0.0160 0.124 Uiso 1 1 calc R . .
C27 C -0.2717(4) 0.3701(5) -0.0483(5) 0.0940(19) Uani 1 1 d . . .
H27 H -0.3014 0.3793 -0.0894 0.113 Uiso 1 1 calc R . .
C28 C -0.2469(5) 0.4307(4) -0.0198(6) 0.111(3) Uani 1 1 d . . .
H28 H -0.2567 0.4883 -0.0379 0.134 Uiso 1 1 calc R . .
C29 C 0.4416(4) 0.2642(4) -0.0418(4) 0.0868(18) Uani 1 1 d D . .
H29A H 0.4928 0.2144 -0.0847 0.104 Uiso 1 1 calc R . .
H29B H 0.4270 0.2382 0.0110 0.104 Uiso 1 1 calc R . .
C30 C 0.4906(6) 0.3291(6) -0.0393(6) 0.124(3) Uani 1 1 d D . .
H30A H 0.5563 0.2963 -0.0287 0.187 Uiso 1 1 calc R . .
H30B H 0.4407 0.3776 0.0041 0.187 Uiso 1 1 calc R . .
H30C H 0.5060 0.3544 -0.0918 0.187 Uiso 1 1 calc R . .
C31 C -0.0558(4) 0.3231(4) 0.4209(3) 0.0696(13) Uani 1 1 d . . .
H31A H 0.0163 0.2777 0.4148 0.084 Uiso 1 1 calc R . .
H31B H -0.0501 0.3763 0.3943 0.084 Uiso 1 1 calc R . .
C32 C -0.1055(4) 0.2850(4) 0.3807(3) 0.0698(13) Uani 1 1 d . . .
H32A H -0.1304 0.3253 0.3410 0.084 Uiso 1 1 calc R . .
H32B H -0.0533 0.2253 0.3514 0.084 Uiso 1 1 calc R . .
C33 C -0.2371(3) 0.2138(3) 0.4342(3) 0.0486(9) Uani 1 1 d . . .
H33A H -0.2781 0.2385 0.3980 0.058 Uiso 1 1 calc R . .
H33B H -0.2856 0.2078 0.4873 0.058 Uiso 1 1 calc R . .
C34 C -0.1484(3) 0.1205(2) 0.3967(2) 0.0405(7) Uani 1 1 d . . .
C35 C -0.1256(3) 0.0749(3) 0.3200(2) 0.0477(9) Uani 1 1 d . . .
H35 H -0.1655 0.0960 0.2855 0.057 Uiso 1 1 calc R . .
C36 C -0.0316(4) -0.0079(3) 0.3057(3) 0.0590(11) Uani 1 1 d . . .
H36 H 0.0006 -0.0515 0.2605 0.071 Uiso 1 1 calc R . .
C37 C 0.0049(4) -0.0133(3) 0.3712(3) 0.0650(12) Uani 1 1 d . . .
H37 H 0.0659 -0.0607 0.3768 0.078 Uiso 1 1 calc R . .
C38 C -0.0669(3) 0.0658(3) 0.4277(3) 0.0553(10) Uani 1 1 d . . .
H38 H -0.0613 0.0794 0.4767 0.066 Uiso 1 1 calc R . .
C39 C -0.2708(5) -0.0365(4) 0.4241(4) 0.0825(16) Uani 1 1 d . . .
H39 H -0.3153 -0.0140 0.3931 0.099 Uiso 1 1 calc R . .
C40 C -0.2881(5) 0.0024(4) 0.5012(3) 0.0785(16) Uani 1 1 d . . .
H40 H -0.3472 0.0555 0.5306 0.094 Uiso 1 1 calc R . .
C41 C -0.2028(6) -0.0515(4) 0.5261(4) 0.0885(18) Uani 1 1 d . . .
H41 H -0.1952 -0.0402 0.5749 0.106 Uiso 1 1 calc R . .
C42 C -0.1306(6) -0.1251(4) 0.4668(4) 0.0915(19) Uani 1 1 d . . .
H42 H -0.0666 -0.1712 0.4689 0.110 Uiso 1 1 calc R . .
C43 C -0.1711(5) -0.1176(4) 0.4028(4) 0.0854(18) Uani 1 1 d . . .
H43 H -0.1389 -0.1579 0.3552 0.103 Uiso 1 1 calc R . .
C44 C -0.1118(6) 0.4110(6) 0.5553(5) 0.114(3) Uani 1 1 d D . .
H44A H -0.1754 0.4314 0.6058 0.137 Uiso 1 1 calc R . .
H44B H -0.1159 0.4642 0.5248 0.137 Uiso 1 1 calc R . .
C45 C -0.0153(13) 0.3810(11) 0.5807(12) 0.312(12) Uani 1 1 d D . .
H45A H 0.0006 0.4323 0.5832 0.468 Uiso 1 1 calc R . .
H45B H 0.0457 0.3335 0.5408 0.468 Uiso 1 1 calc R . .
H45C H -0.0306 0.3583 0.6344 0.468 Uiso 1 1 calc R . .
C46 C -0.5920(4) 0.5707(4) 0.7422(3) 0.0772(15) Uani 1 1 d . . .
H46A H -0.6126 0.6361 0.7454 0.093 Uiso 1 1 calc R . .
H46B H -0.6265 0.5551 0.7966 0.093 Uiso 1 1 calc R . .
C47 C -0.6250(4) 0.5442(3) 0.6785(4) 0.0693(13) Uani 1 1 d . . .
H47A H -0.6962 0.5454 0.7041 0.083 Uiso 1 1 calc R . .
H47B H -0.6265 0.5860 0.6354 0.083 Uiso 1 1 calc R . .
C48 C -0.5511(4) 0.4107(4) 0.5753(3) 0.0621(11) Uani 1 1 d . . .
H48A H -0.4806 0.3621 0.5456 0.075 Uiso 1 1 calc R . .
H48B H -0.5694 0.4561 0.5370 0.075 Uiso 1 1 calc R . .
C49 C -0.6320(3) 0.3720(3) 0.6029(2) 0.0514(9) Uani 1 1 d . . .
C50 C -0.7373(4) 0.4135(4) 0.6023(4) 0.0801(16) Uani 1 1 d . . .
H50 H -0.7703 0.4710 0.5856 0.096 Uiso 1 1 calc R . .
C51 C -0.7842(5) 0.3507(6) 0.6322(4) 0.100(3) Uani 1 1 d . . .
H51 H -0.8538 0.3605 0.6384 0.120 Uiso 1 1 calc R . .
C52 C -0.7102(7) 0.2739(6) 0.6503(3) 0.105(3) Uani 1 1 d . . .
H52 H -0.7205 0.2225 0.6703 0.126 Uiso 1 1 calc R . .
C53 C -0.6168(5) 0.2858(4) 0.6338(3) 0.0752(14) Uani 1 1 d . . .
H53 H -0.5545 0.2438 0.6418 0.090 Uiso 1 1 calc R . .
C54 C -0.6731(7) 0.2272(8) 0.4474(4) 0.107(3) Uani 1 1 d . . .
H54 H -0.7310 0.2124 0.4584 0.128 Uiso 1 1 calc R . .
C55 C -0.5824(8) 0.1759(5) 0.4569(4) 0.109(3) Uani 1 1 d . . .
H55 H -0.5673 0.1183 0.4764 0.131 Uiso 1 1 calc R . .
C56 C -0.5146(6) 0.2127(6) 0.4366(4) 0.100(2) Uani 1 1 d . . .
H56 H -0.4459 0.1861 0.4394 0.120 Uiso 1 1 calc R . .
C57 C -0.5607(8) 0.2965(6) 0.4106(3) 0.113(3) Uani 1 1 d . . .
H57 H -0.5304 0.3376 0.3922 0.135 Uiso 1 1 calc R . .
C58 C -0.6688(9) 0.3086(7) 0.4176(4) 0.139(4) Uani 1 1 d . . .
H58 H -0.7218 0.3586 0.4051 0.167 Uiso 1 1 calc R . .
C59 C -0.4177(6) 0.5264(7) 0.7650(5) 0.132(3) Uani 1 1 d D . .
H59A H -0.3586 0.4664 0.7586 0.158 Uiso 1 1 calc R . .
H59B H -0.3854 0.5675 0.7394 0.158 Uiso 1 1 calc R . .
C60 C -0.4670(11) 0.5545(12) 0.8503(8) 0.312(13) Uani 1 1 d D . .
H60A H -0.4289 0.5820 0.8660 0.467 Uiso 1 1 calc R . .
H60B H -0.4654 0.5024 0.8809 0.467 Uiso 1 1 calc R . .
H60C H -0.5406 0.5984 0.8624 0.467 Uiso 1 1 calc R . .


_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
Fe1 C4 2.029(4) . ?
Fe1 C5 2.032(4) . ?
Fe1 C6 2.032(5) . ?
Fe1 C7 2.042(5) . ?
Fe1 C8 2.038(4) . ?
Fe1 C9 2.015(5) . ?
Fe1 C10 2.013(5) . ?
Fe1 C11 2.022(5) . ?
Fe1 C12 2.031(5) . ?
Fe1 C13 2.028(5) . ?
Fe2 C19 2.024(4) . ?
Fe2 C20 2.024(4) . ?
Fe2 C21 2.032(5) . ?
Fe2 C22 2.037(5) . ?
Fe2 C23 2.039(4) . ?
Fe2 C24 2.004(6) . ?
Fe2 C25 2.015(6) . ?
Fe2 C26 2.027(5) . ?
Fe2 C27 2.030(5) . ?
Fe2 C28 2.016(6) . ?
Fe3 C34 2.043(4) . ?
Fe3 C35 2.036(4) . ?
Fe3 C36 2.019(4) . ?
Fe3 C37 2.032(5) . ?
Fe3 C38 2.044(4) . ?
Fe3 C39 2.027(5) . ?
Fe3 C40 2.040(5) . ?
Fe3 C41 2.039(5) . ?
Fe3 C42 2.029(5) . ?
Fe3 C43 2.017(5) . ?
Fe4 C49 2.018(4) . ?
Fe4 C50 2.017(5) . ?
Fe4 C51 2.025(5) . ?
Fe4 C52 2.036(6) . ?
Fe4 C53 2.030(5) . ?
Fe4 C54 2.030(6) . ?
Fe4 C55 2.014(6) . ?
Fe4 C56 2.017(6) . ?
Fe4 C57 2.004(5) . ?
Fe4 C58 2.014(6) . ?
P1 N1 1.614(3) . ?
P1 N2 1.589(3) . ?
P1 N4 1.648(3) . ?
P1 N5 1.662(3) . ?
P2 Cl1 2.0211(17) . ?
P2 Cl2 2.0126(17) . ?
P2 N1 1.558(3) . ?
P2 N3 1.569(3) . ?
P3 N2 1.589(3) . ?
P3 N3 1.612(3) . ?
P3 N6 1.637(3) . ?
P3 N7 1.635(3) . ?
P4 N8 1.620(3) . ?
P4 N9 1.586(3) . ?
P4 N11 1.637(4) . ?
P4 N12 1.636(3) . ?
P5 Cl3 2.0153(15) . ?
P5 Cl4 2.0271(16) . ?
P5 N8 1.565(3) . ?
P5 N10 1.552(3) . ?
P6 N9 1.593(3) . ?
P6 N10 1.618(3) . ?
P6 N13 1.644(3) . ?
P6 N14 1.636(3) . ?
N4 C2 1.466(5) . ?
N4 C3 1.463(5) . ?
N5 C1 1.468(5) . ?
N5 C14 1.460(5) . ?
N6 C16 1.445(5) . ?
N6 C29 1.450(6) . ?
N7 C17 1.428(5) . ?
N7 C18 1.459(5) . ?
N11 C31 1.418(6) . ?
N11 C44 1.437(7) . ?
N12 C32 1.457(5) . ?
N12 C33 1.451(5) . ?
N13 C46 1.453(6) . ?
N13 C59 1.432(7) . ?
N14 C47 1.433(5) . ?
N14 C48 1.463(5) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C1 1.508(6) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C3 1.493(5) . ?
C4 C5 1.420(6) . ?
C4 C8 1.415(6) . ?
C5 C6 1.410(7) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C6 1.404(8) . ?
C7 H7 0.9300 . ?
C8 C7 1.408(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.382(10) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C10 1.409(10) . ?
C11 C12 1.378(9) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C9 1.387(9) . ?
C13 C12 1.380(8) . ?
C13 H13 0.9300 . ?
C14 C15 1.505(6) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C16 1.496(6) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C18 1.493(5) . ?
C19 C20 1.406(6) . ?
C19 C23 1.406(6) . ?
C20 C21 1.418(8) . ?
C20 H20 0.9300 . ?
C21 C22 1.386(9) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C22 1.389(7) . ?
C23 H23 0.9300 . ?
C24 C28 1.358(13) . ?
C24 H24 0.9300 . ?
C25 C24 1.395(13) . ?
C25 H25 0.9300 . ?
C26 C25 1.375(12) . ?
C26 C27 1.334(9) . ?
C26 H26 0.9300 . ?
C27 C28 1.355(10) . ?
C27 H27 0.9300 . ?
C29 C30 1.515(8) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.482(7) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.504(5) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 C38 1.410(5) . ?
C35 C34 1.425(5) . ?
C35 C36 1.413(6) . ?
C35 H35 0.9300 . ?
C36 C37 1.397(7) . ?
C36 H36 0.9300 . ?
C37 H37 0.9300 . ?
C38 C37 1.416(6) . ?
C38 H38 0.9300 . ?
C39 H39 0.9300 . ?
C40 C39 1.407(8) . ?
C40 C41 1.384(9) . ?
C40 H40 0.9300 . ?
C41 C42 1.387(8) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 C39 1.433(8) . ?
C43 C42 1.407(9) . ?
C43 H43 0.9300 . ?
C44 C45 1.503(13) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
C47 C46 1.503(7) . ?
C47 H47A 0.9700 . ?
C47 H47B 0.9700 . ?
C48 H48A 0.9700 . ?
C48 H48B 0.9700 . ?
C49 C48 1.488(6) . ?
C49 C50 1.402(6) . ?
C49 C53 1.414(7) . ?
C50 H50 0.9300 . ?
C51 C50 1.430(9) . ?
C51 C52 1.364(10) . ?
C51 H51 0.9300 . ?
C52 H52 0.9300 . ?
C53 C52 1.390(9) . ?
C53 H53 0.9300 . ?
C54 C58 1.400(12) . ?
C54 H54 0.9300 . ?
C55 C54 1.298(11) . ?
C55 H55 0.9300 . ?
C56 C55 1.302(10) . ?
C56 H56 0.9300 . ?
C57 C56 1.361(11) . ?
C57 C58 1.473(12) . ?
C57 H57 0.9300 . ?
C59 C60 1.401(12) . ?
C59 H59A 0.9700 . ?
C59 H59B 0.9700 . ?
C28 H28 0.9300 . ?
C58 H58 0.9300 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?

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
C10 Fe1 C9 40.1(3) . . ?
C10 Fe1 C11 40.9(3) . . ?
C9 Fe1 C11 68.1(3) . . ?
C10 Fe1 C13 67.0(3) . . ?
C9 Fe1 C13 40.1(2) . . ?
C11 Fe1 C13 67.0(3) . . ?
C10 Fe1 C4 108.1(2) . . ?
C9 Fe1 C4 126.7(2) . . ?
C11 Fe1 C4 119.8(2) . . ?
C13 Fe1 C4 164.5(2) . . ?
C10 Fe1 C12 67.5(3) . . ?
C9 Fe1 C12 67.6(2) . . ?
C11 Fe1 C12 39.8(3) . . ?
C13 Fe1 C12 39.8(2) . . ?
C4 Fe1 C12 153.9(2) . . ?
C10 Fe1 C5 118.8(3) . . ?
C9 Fe1 C5 107.2(2) . . ?
C11 Fe1 C5 153.8(3) . . ?
C13 Fe1 C5 127.0(2) . . ?
C4 Fe1 C5 40.93(16) . . ?
C12 Fe1 C5 164.4(2) . . ?
C10 Fe1 C6 152.4(3) . . ?
C9 Fe1 C6 118.4(3) . . ?
C11 Fe1 C6 164.8(3) . . ?
C13 Fe1 C6 108.4(2) . . ?
C4 Fe1 C6 68.64(18) . . ?
C12 Fe1 C6 127.5(3) . . ?
C5 Fe1 C6 40.6(2) . . ?
C10 Fe1 C8 128.5(3) . . ?
C9 Fe1 C8 165.2(3) . . ?
C11 Fe1 C8 109.4(2) . . ?
C13 Fe1 C8 153.7(2) . . ?
C4 Fe1 C8 40.71(17) . . ?
C12 Fe1 C8 120.5(2) . . ?
C5 Fe1 C8 68.21(19) . . ?
C6 Fe1 C8 68.0(2) . . ?
C10 Fe1 C7 166.1(3) . . ?
C9 Fe1 C7 152.6(3) . . ?
C11 Fe1 C7 128.1(3) . . ?
C13 Fe1 C7 119.8(3) . . ?
C4 Fe1 C7 68.44(18) . . ?
C12 Fe1 C7 109.2(2) . . ?
C5 Fe1 C7 68.1(2) . . ?
C6 Fe1 C7 40.3(2) . . ?
C8 Fe1 C7 40.4(2) . . ?
C24 Fe2 C25 40.6(4) . . ?
C24 Fe2 C28 39.5(4) . . ?
C25 Fe2 C28 66.9(3) . . ?
C24 Fe2 C19 106.6(2) . . ?
C25 Fe2 C19 125.6(3) . . ?
C28 Fe2 C19 119.3(2) . . ?
C24 Fe2 C20 123.6(4) . . ?
C25 Fe2 C20 161.6(4) . . ?
C28 Fe2 C20 106.9(3) . . ?
C19 Fe2 C20 40.65(16) . . ?
C24 Fe2 C26 66.6(3) . . ?
C25 Fe2 C26 39.8(3) . . ?
C28 Fe2 C26 65.5(3) . . ?
C19 Fe2 C26 163.9(3) . . ?
C20 Fe2 C26 155.3(3) . . ?
C24 Fe2 C27 66.0(3) . . ?
C25 Fe2 C27 66.1(3) . . ?
C28 Fe2 C27 39.1(3) . . ?
C19 Fe2 C27 154.1(2) . . ?
C20 Fe2 C27 120.9(3) . . ?
C26 Fe2 C27 38.4(3) . . ?
C24 Fe2 C21 161.2(5) . . ?
C25 Fe2 C21 156.7(5) . . ?
C28 Fe2 C21 125.7(4) . . ?
C19 Fe2 C21 68.43(18) . . ?
C20 Fe2 C21 40.9(2) . . ?
C26 Fe2 C21 122.7(3) . . ?
C27 Fe2 C21 110.0(3) . . ?
C24 Fe2 C22 157.0(5) . . ?
C25 Fe2 C22 122.9(4) . . ?
C28 Fe2 C22 162.8(4) . . ?
C19 Fe2 C22 68.27(19) . . ?
C20 Fe2 C22 68.0(2) . . ?
C26 Fe2 C22 111.9(3) . . ?
C27 Fe2 C22 128.2(3) . . ?
C21 Fe2 C22 39.8(3) . . ?
C24 Fe2 C23 121.9(3) . . ?
C25 Fe2 C23 110.3(2) . . ?
C28 Fe2 C23 155.1(3) . . ?
C19 Fe2 C23 40.48(17) . . ?
C20 Fe2 C23 67.5(2) . . ?
C26 Fe2 C23 129.4(3) . . ?
C27 Fe2 C23 164.6(3) . . ?
C21 Fe2 C23 66.9(2) . . ?
C22 Fe2 C23 39.8(2) . . ?
C43 Fe3 C36 105.9(2) . . ?
C43 Fe3 C39 41.5(2) . . ?
C36 Fe3 C39 124.9(2) . . ?
C43 Fe3 C42 40.7(3) . . ?
C36 Fe3 C42 119.1(2) . . ?
C39 Fe3 C42 68.8(3) . . ?
C43 Fe3 C37 120.7(2) . . ?
C36 Fe3 C37 40.35(19) . . ?
C39 Fe3 C37 159.4(2) . . ?
C42 Fe3 C37 104.1(3) . . ?
C43 Fe3 C35 122.8(2) . . ?
C36 Fe3 C35 40.80(17) . . ?
C39 Fe3 C35 110.3(2) . . ?
C42 Fe3 C35 156.6(2) . . ?
C37 Fe3 C35 68.12(19) . . ?
C43 Fe3 C41 67.7(3) . . ?
C36 Fe3 C41 154.4(2) . . ?
C39 Fe3 C41 67.8(3) . . ?
C42 Fe3 C41 39.9(2) . . ?
C37 Fe3 C41 119.9(3) . . ?
C35 Fe3 C41 163.1(2) . . ?
C43 Fe3 C40 68.2(2) . . ?
C36 Fe3 C40 163.2(2) . . ?
C39 Fe3 C40 40.5(2) . . ?
C42 Fe3 C40 67.4(3) . . ?
C37 Fe3 C40 156.3(2) . . ?
C35 Fe3 C40 128.1(2) . . ?
C41 Fe3 C40 39.7(3) . . ?
C43 Fe3 C34 160.3(2) . . ?
C36 Fe3 C34 68.75(16) . . ?
C39 Fe3 C34 124.9(2) . . ?
C42 Fe3 C34 158.7(2) . . ?
C37 Fe3 C34 68.33(17) . . ?
C35 Fe3 C34 40.89(15) . . ?
C41 Fe3 C34 125.3(2) . . ?
C40 Fe3 C34 111.11(18) . . ?
C43 Fe3 C38 157.1(2) . . ?
C36 Fe3 C38 68.24(18) . . ?
C39 Fe3 C38 159.5(2) . . ?
C42 Fe3 C38 121.2(3) . . ?
C37 Fe3 C38 40.64(17) . . ?
C35 Fe3 C38 68.11(17) . . ?
C41 Fe3 C38 107.4(2) . . ?
C40 Fe3 C38 123.3(2) . . ?
C34 Fe3 C38 40.36(15) . . ?
C57 Fe4 C55 65.2(3) . . ?
C57 Fe4 C58 43.0(4) . . ?
C55 Fe4 C58 65.8(3) . . ?
C57 Fe4 C50 118.2(3) . . ?
C55 Fe4 C50 172.7(3) . . ?
C58 Fe4 C50 111.8(3) . . ?
C57 Fe4 C56 39.6(3) . . ?
C55 Fe4 C56 37.7(3) . . ?
C58 Fe4 C56 68.2(3) . . ?
C50 Fe4 C56 148.9(3) . . ?
C57 Fe4 C49 108.6(2) . . ?
C55 Fe4 C49 146.0(3) . . ?
C58 Fe4 C49 134.1(4) . . ?
C50 Fe4 C49 40.67(18) . . ?
C56 Fe4 C49 115.6(3) . . ?
C57 Fe4 C51 152.4(4) . . ?
C55 Fe4 C51 132.7(3) . . ?
C58 Fe4 C51 118.3(4) . . ?
C50 Fe4 C51 41.4(3) . . ?
C56 Fe4 C51 167.4(4) . . ?
C49 Fe4 C51 68.60(19) . . ?
C57 Fe4 C53 130.0(3) . . ?
C55 Fe4 C53 115.5(3) . . ?
C58 Fe4 C53 172.5(5) . . ?
C50 Fe4 C53 67.9(2) . . ?
C56 Fe4 C53 107.9(3) . . ?
C49 Fe4 C53 40.88(19) . . ?
C51 Fe4 C53 66.8(3) . . ?
C57 Fe4 C54 68.1(3) . . ?
C55 Fe4 C54 37.4(3) . . ?
C58 Fe4 C54 40.5(4) . . ?
C50 Fe4 C54 136.3(3) . . ?
C56 Fe4 C54 65.0(3) . . ?
C49 Fe4 C54 174.5(4) . . ?
C51 Fe4 C54 112.1(3) . . ?
C53 Fe4 C54 144.6(4) . . ?
C57 Fe4 C52 167.4(4) . . ?
C55 Fe4 C52 109.9(3) . . ?
C58 Fe4 C52 147.4(5) . . ?
C50 Fe4 C52 68.2(3) . . ?
C56 Fe4 C52 129.5(4) . . ?
C49 Fe4 C52 68.5(2) . . ?
C51 Fe4 C52 39.3(3) . . ?
C53 Fe4 C52 40.0(3) . . ?
C54 Fe4 C52 115.7(3) . . ?
N2 P1 N1 113.24(16) . . ?
N2 P1 N4 113.61(18) . . ?
N1 P1 N4 110.05(18) . . ?
N2 P1 N5 112.20(17) . . ?
N1 P1 N5 111.75(17) . . ?
N4 P1 N5 94.61(16) . . ?
N1 P2 N3 122.50(18) . . ?
N1 P2 Cl2 108.71(14) . . ?
N3 P2 Cl2 108.36(14) . . ?
N1 P2 Cl1 107.75(14) . . ?
N3 P2 Cl1 108.41(15) . . ?
Cl2 P2 Cl1 98.44(10) . . ?
N2 P3 N3 112.23(16) . . ?
N2 P3 N7 113.61(18) . . ?
N3 P3 N7 111.05(19) . . ?
N2 P3 N6 113.83(18) . . ?
N3 P3 N6 110.91(19) . . ?
N7 P3 N6 93.92(16) . . ?
N9 P4 N8 113.25(16) . . ?
N9 P4 N12 114.88(19) . . ?
N8 P4 N12 109.19(18) . . ?
N9 P4 N11 110.8(2) . . ?
N8 P4 N11 113.4(2) . . ?
N12 P4 N11 93.94(18) . . ?
N10 P5 N8 121.92(18) . . ?
N10 P5 Cl3 108.21(16) . . ?
N8 P5 Cl3 108.91(16) . . ?
N10 P5 Cl4 109.08(16) . . ?
N8 P5 Cl4 107.88(15) . . ?
Cl3 P5 Cl4 98.26(7) . . ?
N9 P6 N10 112.98(16) . . ?
N9 P6 N14 113.04(19) . . ?
N10 P6 N14 111.0(2) . . ?
N9 P6 N13 113.71(18) . . ?
N10 P6 N13 110.4(2) . . ?
N14 P6 N13 94.33(18) . . ?
P2 N1 P1 120.47(19) . . ?
P1 N2 P3 129.5(2) . . ?
P2 N3 P3 121.5(2) . . ?
C3 N4 C2 118.5(3) . . ?
C3 N4 P1 120.9(3) . . ?
C2 N4 P1 111.5(3) . . ?
C14 N5 C1 117.1(3) . . ?
C14 N5 P1 120.1(3) . . ?
C1 N5 P1 110.2(3) . . ?
C16 N6 C29 119.0(4) . . ?
C16 N6 P3 113.4(3) . . ?
C29 N6 P3 122.6(3) . . ?
C17 N7 C18 120.4(3) . . ?
C17 N7 P3 114.4(3) . . ?
C18 N7 P3 122.0(3) . . ?
P5 N8 P4 121.2(2) . . ?
P4 N9 P6 128.6(2) . . ?
P5 N10 P6 121.8(2) . . ?
C31 N11 C44 121.9(4) . . ?
C31 N11 P4 114.6(3) . . ?
C44 N11 P4 122.0(4) . . ?
C33 N12 C32 120.6(3) . . ?
C33 N12 P4 122.7(3) . . ?
C32 N12 P4 114.4(3) . . ?
C59 N13 C46 121.1(4) . . ?
C59 N13 P6 120.3(4) . . ?
C46 N13 P6 111.4(3) . . ?
C47 N14 C48 118.8(4) . . ?
C47 N14 P6 114.1(3) . . ?
C48 N14 P6 122.1(3) . . ?
N5 C1 C2 105.5(3) . . ?
N5 C1 H1A 110.6 . . ?
C2 C1 H1A 110.6 . . ?
N5 C1 H1B 110.6 . . ?
C2 C1 H1B 110.6 . . ?
H1A C1 H1B 108.8 . . ?
N4 C2 C1 103.2(3) . . ?
N4 C2 H2A 111.1 . . ?
C1 C2 H2A 111.1 . . ?
N4 C2 H2B 111.1 . . ?
C1 C2 H2B 111.1 . . ?
H2A C2 H2B 109.1 . . ?
N4 C3 C4 111.8(3) . . ?
N4 C3 H3A 109.2 . . ?
C4 C3 H3A 109.2 . . ?
N4 C3 H3B 109.2 . . ?
C4 C3 H3B 109.2 . . ?
H3A C3 H3B 107.9 . . ?
C8 C4 C5 107.2(4) . . ?
C8 C4 C3 126.3(4) . . ?
C5 C4 C3 126.5(4) . . ?
C8 C4 Fe1 70.0(2) . . ?
C5 C4 Fe1 69.6(2) . . ?
C3 C4 Fe1 125.1(3) . . ?
C6 C5 C4 108.0(4) . . ?
C6 C5 Fe1 69.7(3) . . ?
C4 C5 Fe1 69.4(2) . . ?
C6 C5 H5 126.0 . . ?
C4 C5 H5 126.0 . . ?
Fe1 C5 H5 126.4 . . ?
C7 C6 C5 108.3(4) . . ?
C7 C6 Fe1 70.2(3) . . ?
C5 C6 Fe1 69.7(3) . . ?
C7 C6 H6 125.9 . . ?
C5 C6 H6 125.9 . . ?
Fe1 C6 H6 125.8 . . ?
C6 C7 C8 108.0(4) . . ?
C6 C7 Fe1 69.5(3) . . ?
C8 C7 Fe1 69.7(3) . . ?
C6 C7 H7 126.0 . . ?
C8 C7 H7 126.0 . . ?
Fe1 C7 H7 126.5 . . ?
C7 C8 C4 108.4(5) . . ?
C7 C8 Fe1 70.0(3) . . ?
C4 C8 Fe1 69.3(2) . . ?
C7 C8 H8 125.8 . . ?
C4 C8 H8 125.8 . . ?
Fe1 C8 H8 126.5 . . ?
C10 C9 C13 107.4(6) . . ?
C10 C9 Fe1 69.9(3) . . ?
C13 C9 Fe1 70.5(3) . . ?
C10 C9 H9 126.3 . . ?
C13 C9 H9 126.3 . . ?
Fe1 C9 H9 125.0 . . ?
C9 C10 C11 108.1(6) . . ?
C9 C10 Fe1 70.0(3) . . ?
C11 C10 Fe1 69.9(3) . . ?
C9 C10 H10 125.9 . . ?
C11 C10 H10 125.9 . . ?
Fe1 C10 H10 125.7 . . ?
C12 C11 C10 107.4(6) . . ?
C12 C11 Fe1 70.5(3) . . ?
C10 C11 Fe1 69.2(3) . . ?
C12 C11 H11 126.3 . . ?
C10 C11 H11 126.3 . . ?
Fe1 C11 H11 125.6 . . ?
C11 C12 C13 108.1(6) . . ?
C11 C12 Fe1 69.7(3) . . ?
C13 C12 Fe1 70.0(3) . . ?
C11 C12 H12 125.9 . . ?
C13 C12 H12 125.9 . . ?
Fe1 C12 H12 125.9 . . ?
C12 C13 C9 108.9(6) . . ?
C12 C13 Fe1 70.2(3) . . ?
C9 C13 Fe1 69.4(3) . . ?
C12 C13 H13 125.5 . . ?
C9 C13 H13 125.5 . . ?
Fe1 C13 H13 126.4 . . ?
N5 C14 C15 112.5(4) . . ?
N5 C14 H14A 109.1 . . ?
C15 C14 H14A 109.1 . . ?
N5 C14 H14B 109.1 . . ?
C15 C14 H14B 109.1 . . ?
H14A C14 H14B 107.8 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N6 C16 C17 107.1(3) . . ?
N6 C16 H16A 110.3 . . ?
C17 C16 H16A 110.3 . . ?
N6 C16 H16B 110.3 . . ?
C17 C16 H16B 110.3 . . ?
H16A C16 H16B 108.6 . . ?
N7 C17 C16 107.1(3) . . ?
N7 C17 H17A 110.3 . . ?
C16 C17 H17A 110.3 . . ?
N7 C17 H17B 110.3 . . ?
C16 C17 H17B 110.3 . . ?
H17A C17 H17B 108.6 . . ?
N7 C18 C19 113.0(3) . . ?
N7 C18 H18A 109.0 . . ?
C19 C18 H18A 109.0 . . ?
N7 C18 H18B 109.0 . . ?
C19 C18 H18B 109.0 . . ?
H18A C18 H18B 107.8 . . ?
C23 C19 C20 106.8(4) . . ?
C23 C19 C18 125.5(4) . . ?
C20 C19 C18 127.6(4) . . ?
C23 C19 Fe2 70.3(2) . . ?
C20 C19 Fe2 69.7(2) . . ?
C18 C19 Fe2 123.2(3) . . ?
C19 C20 C21 107.7(5) . . ?
C19 C20 Fe2 69.7(2) . . ?
C21 C20 Fe2 69.8(3) . . ?
C19 C20 H20 126.1 . . ?
C21 C20 H20 126.1 . . ?
Fe2 C20 H20 126.0 . . ?
C22 C21 C20 108.2(5) . . ?
C22 C21 Fe2 70.3(3) . . ?
C20 C21 Fe2 69.3(3) . . ?
C22 C21 H21 125.9 . . ?
C20 C21 H21 125.9 . . ?
Fe2 C21 H21 126.1 . . ?
C21 C22 C23 108.0(5) . . ?
C21 C22 Fe2 69.9(3) . . ?
C23 C22 Fe2 70.2(3) . . ?
C21 C22 H22 126.0 . . ?
C23 C22 H22 126.0 . . ?
Fe2 C22 H22 125.5 . . ?
C22 C23 C19 109.3(5) . . ?
C22 C23 Fe2 70.0(3) . . ?
C19 C23 Fe2 69.2(2) . . ?
C22 C23 H23 125.4 . . ?
C19 C23 H23 125.4 . . ?
Fe2 C23 H23 127.1 . . ?
C28 C24 C25 107.7(7) . . ?
C28 C24 Fe2 70.7(4) . . ?
C25 C24 Fe2 70.1(4) . . ?
C28 C24 H24 126.1 . . ?
C25 C24 H24 126.1 . . ?
Fe2 C24 H24 124.6 . . ?
C26 C25 C24 106.0(7) . . ?
C26 C25 Fe2 70.6(4) . . ?
C24 C25 Fe2 69.3(4) . . ?
C26 C25 H25 127.0 . . ?
C24 C25 H25 127.0 . . ?
Fe2 C25 H25 124.7 . . ?
C27 C26 C25 109.1(7) . . ?
C27 C26 Fe2 70.9(3) . . ?
C25 C26 Fe2 69.6(4) . . ?
C27 C26 H26 125.4 . . ?
C25 C26 H26 125.4 . . ?
Fe2 C26 H26 125.6 . . ?
C26 C27 C28 108.9(7) . . ?
C26 C27 Fe2 70.7(3) . . ?
C28 C27 Fe2 69.9(3) . . ?
C26 C27 H27 125.5 . . ?
C28 C27 H27 125.5 . . ?
Fe2 C27 H27 125.4 . . ?
C27 C28 C24 108.2(7) . . ?
C27 C28 Fe2 71.0(4) . . ?
C24 C28 Fe2 69.8(4) . . ?
C27 C28 H28 125.9 . . ?
C24 C28 H28 125.9 . . ?
Fe2 C28 H28 124.9 . . ?
N6 C29 C30 111.6(5) . . ?
N6 C29 H29A 109.3 . . ?
C30 C29 H29A 109.3 . . ?
N6 C29 H29B 109.3 . . ?
C30 C29 H29B 109.3 . . ?
H29A C29 H29B 108.0 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N11 C31 C32 109.6(4) . . ?
N11 C31 H31A 109.7 . . ?
C32 C31 H31A 109.7 . . ?
N11 C31 H31B 109.7 . . ?
C32 C31 H31B 109.7 . . ?
H31A C31 H31B 108.2 . . ?
N12 C32 C31 107.1(4) . . ?
N12 C32 H32A 110.3 . . ?
C31 C32 H32A 110.3 . . ?
N12 C32 H32B 110.3 . . ?
C31 C32 H32B 110.3 . . ?
H32A C32 H32B 108.6 . . ?
N12 C33 C34 112.5(3) . . ?
N12 C33 H33A 109.1 . . ?
C34 C33 H33A 109.1 . . ?
N12 C33 H33B 109.1 . . ?
C34 C33 H33B 109.1 . . ?
H33A C33 H33B 107.8 . . ?
C38 C34 C35 107.4(3) . . ?
C38 C34 C33 126.0(3) . . ?
C35 C34 C33 126.4(3) . . ?
C38 C34 Fe3 69.9(2) . . ?
C35 C34 Fe3 69.3(2) . . ?
C33 C34 Fe3 130.2(3) . . ?
C36 C35 C34 107.8(4) . . ?
C36 C35 Fe3 68.9(2) . . ?
C34 C35 Fe3 69.8(2) . . ?
C36 C35 H35 126.1 . . ?
C34 C35 H35 126.1 . . ?
Fe3 C35 H35 126.7 . . ?
C37 C36 C35 108.3(4) . . ?
C37 C36 Fe3 70.3(3) . . ?
C35 C36 Fe3 70.3(2) . . ?
C37 C36 H36 125.8 . . ?
C35 C36 H36 125.8 . . ?
Fe3 C36 H36 125.2 . . ?
C36 C37 C38 108.3(4) . . ?
C36 C37 Fe3 69.3(3) . . ?
C38 C37 Fe3 70.1(3) . . ?
C36 C37 H37 125.9 . . ?
C38 C37 H37 125.9 . . ?
Fe3 C37 H37 126.3 . . ?
C34 C38 C37 108.2(4) . . ?
C34 C38 Fe3 69.8(2) . . ?
C37 C38 Fe3 69.2(3) . . ?
C34 C38 H38 125.9 . . ?
C37 C38 H38 125.9 . . ?
Fe3 C38 H38 126.7 . . ?
C40 C39 C43 106.5(6) . . ?
C40 C39 Fe3 70.3(3) . . ?
C43 C39 Fe3 68.9(3) . . ?
C40 C39 H39 126.8 . . ?
C43 C39 H39 126.8 . . ?
Fe3 C39 H39 125.7 . . ?
C41 C40 C39 108.8(5) . . ?
C41 C40 Fe3 70.1(3) . . ?
C39 C40 Fe3 69.3(3) . . ?
C41 C40 H40 125.6 . . ?
C39 C40 H40 125.6 . . ?
Fe3 C40 H40 126.6 . . ?
C40 C41 C42 109.2(6) . . ?
C40 C41 Fe3 70.2(3) . . ?
C42 C41 Fe3 69.7(3) . . ?
C40 C41 H41 125.4 . . ?
C42 C41 H41 125.4 . . ?
Fe3 C41 H41 126.3 . . ?
C41 C42 C43 107.9(6) . . ?
C41 C42 Fe3 70.4(3) . . ?
C43 C42 Fe3 69.2(3) . . ?
C41 C42 H42 126.0 . . ?
C43 C42 H42 126.0 . . ?
Fe3 C42 H42 125.9 . . ?
C42 C43 C39 107.6(5) . . ?
C42 C43 Fe3 70.1(3) . . ?
C39 C43 Fe3 69.6(3) . . ?
C42 C43 H43 126.2 . . ?
C39 C43 H43 126.2 . . ?
Fe3 C43 H43 125.7 . . ?
N11 C44 C45 120.1(8) . . ?
N11 C44 H44A 107.3 . . ?
C45 C44 H44A 107.3 . . ?
N11 C44 H44B 107.3 . . ?
C45 C44 H44B 107.3 . . ?
H44A C44 H44B 106.9 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
N13 C46 C47 106.7(4) . . ?
N13 C46 H46A 110.4 . . ?
C47 C46 H46A 110.4 . . ?
N13 C46 H46B 110.4 . . ?
C47 C46 H46B 110.4 . . ?
H46A C46 H46B 108.6 . . ?
N14 C47 C46 105.8(4) . . ?
N14 C47 H47A 110.6 . . ?
C46 C47 H47A 110.6 . . ?
N14 C47 H47B 110.6 . . ?
C46 C47 H47B 110.6 . . ?
H47A C47 H47B 108.7 . . ?
N14 C48 C49 112.9(4) . . ?
N14 C48 H48A 109.0 . . ?
C49 C48 H48A 109.0 . . ?
N14 C48 H48B 109.0 . . ?
C49 C48 H48B 109.0 . . ?
H48A C48 H48B 107.8 . . ?
C50 C49 C53 106.8(5) . . ?
C50 C49 C48 126.6(5) . . ?
C53 C49 C48 126.6(4) . . ?
C50 C49 Fe4 69.6(3) . . ?
C53 C49 Fe4 70.0(3) . . ?
C48 C49 Fe4 124.8(3) . . ?
C49 C50 C51 107.1(6) . . ?
C49 C50 Fe4 69.7(3) . . ?
C51 C50 Fe4 69.6(3) . . ?
C49 C50 H50 126.4 . . ?
C51 C50 H50 126.4 . . ?
Fe4 C50 H50 125.8 . . ?
C52 C51 C50 108.8(5) . . ?
C52 C51 Fe4 70.8(4) . . ?
C50 C51 Fe4 69.0(3) . . ?
C52 C51 H51 125.6 . . ?
C50 C51 H51 125.6 . . ?
Fe4 C51 H51 126.1 . . ?
C51 C52 C53 108.3(6) . . ?
C51 C52 Fe4 69.9(3) . . ?
C53 C52 Fe4 69.8(3) . . ?
C51 C52 H52 125.8 . . ?
C53 C52 H52 125.8 . . ?
Fe4 C52 H52 126.1 . . ?
C52 C53 C49 109.0(6) . . ?
C52 C53 Fe4 70.3(3) . . ?
C49 C53 Fe4 69.1(3) . . ?
C52 C53 H53 125.5 . . ?
C49 C53 H53 125.5 . . ?
Fe4 C53 H53 126.7 . . ?
C55 C54 C58 108.2(7) . . ?
C55 C54 Fe4 70.6(4) . . ?
C58 C54 Fe4 69.1(4) . . ?
C55 C54 H54 125.9 . . ?
C58 C54 H54 125.9 . . ?
Fe4 C54 H54 126.0 . . ?
C54 C55 C56 113.6(8) . . ?
C54 C55 Fe4 72.0(4) . . ?
C56 C55 Fe4 71.3(4) . . ?
C54 C55 H55 123.2 . . ?
C56 C55 H55 123.2 . . ?
Fe4 C55 H55 125.1 . . ?
C55 C56 C57 108.7(8) . . ?
C55 C56 Fe4 71.0(4) . . ?
C57 C56 Fe4 69.7(4) . . ?
C55 C56 H56 125.6 . . ?
C57 C56 H56 125.6 . . ?
Fe4 C56 H56 125.2 . . ?
C56 C57 C58 105.8(6) . . ?
C56 C57 Fe4 70.7(3) . . ?
C58 C57 Fe4 68.9(3) . . ?
C56 C57 H57 127.1 . . ?
C58 C57 H57 127.1 . . ?
Fe4 C57 H57 124.9 . . ?
C54 C58 C57 103.7(7) . . ?
C54 C58 Fe4 70.4(4) . . ?
C57 C58 Fe4 68.1(3) . . ?
C54 C58 H58 128.1 . . ?
C57 C58 H58 128.1 . . ?
Fe4 C58 H58 125.0 . . ?
C60 C59 N13 122.8(8) . . ?
C60 C59 H59A 106.6 . . ?
N13 C59 H59A 106.6 . . ?
C60 C59 H59B 106.6 . . ?
N13 C59 H59B 106.6 . . ?
H59A C59 H59B 106.6 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?


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
C10 Fe1 C4 C8 -128.5(4) . . . . ?
C9 Fe1 C4 C8 -169.1(4) . . . . ?
C11 Fe1 C4 C8 -85.4(4) . . . . ?
C13 Fe1 C4 C8 162.3(8) . . . . ?
C12 Fe1 C4 C8 -52.8(6) . . . . ?
C5 Fe1 C4 C8 118.1(4) . . . . ?
C6 Fe1 C4 C8 80.6(3) . . . . ?
C7 Fe1 C4 C8 37.2(3) . . . . ?
C10 Fe1 C4 C5 113.3(4) . . . . ?
C9 Fe1 C4 C5 72.7(4) . . . . ?
C11 Fe1 C4 C5 156.5(3) . . . . ?
C13 Fe1 C4 C5 44.2(9) . . . . ?
C12 Fe1 C4 C5 -170.9(5) . . . . ?
C6 Fe1 C4 C5 -37.5(3) . . . . ?
C8 Fe1 C4 C5 -118.1(4) . . . . ?
C7 Fe1 C4 C5 -81.0(3) . . . . ?
C10 Fe1 C4 C3 -7.6(5) . . . . ?
C9 Fe1 C4 C3 -48.2(5) . . . . ?
C11 Fe1 C4 C3 35.5(5) . . . . ?
C13 Fe1 C4 C3 -76.8(9) . . . . ?
C12 Fe1 C4 C3 68.1(6) . . . . ?
C5 Fe1 C4 C3 -121.0(5) . . . . ?
C6 Fe1 C4 C3 -158.5(4) . . . . ?
C8 Fe1 C4 C3 120.9(5) . . . . ?
C7 Fe1 C4 C3 158.1(4) . . . . ?
C10 Fe1 C5 C6 155.8(4) . . . . ?
C9 Fe1 C5 C6 113.8(4) . . . . ?
C11 Fe1 C5 C6 -170.9(5) . . . . ?
C13 Fe1 C5 C6 74.1(4) . . . . ?
C4 Fe1 C5 C6 -119.4(4) . . . . ?
C12 Fe1 C5 C6 45.6(9) . . . . ?
C8 Fe1 C5 C6 -81.1(4) . . . . ?
C7 Fe1 C5 C6 -37.5(3) . . . . ?
C10 Fe1 C5 C4 -84.7(4) . . . . ?
C9 Fe1 C5 C4 -126.8(3) . . . . ?
C11 Fe1 C5 C4 -51.5(6) . . . . ?
C13 Fe1 C5 C4 -166.5(3) . . . . ?
C12 Fe1 C5 C4 165.0(8) . . . . ?
C6 Fe1 C5 C4 119.4(4) . . . . ?
C8 Fe1 C5 C4 38.3(3) . . . . ?
C7 Fe1 C5 C4 81.9(3) . . . . ?
C10 Fe1 C6 C7 -169.9(5) . . . . ?
C9 Fe1 C6 C7 157.3(3) . . . . ?
C11 Fe1 C6 C7 45.4(10) . . . . ?
C13 Fe1 C6 C7 114.8(3) . . . . ?
C4 Fe1 C6 C7 -81.4(3) . . . . ?
C12 Fe1 C6 C7 74.8(4) . . . . ?
C5 Fe1 C6 C7 -119.2(4) . . . . ?
C8 Fe1 C6 C7 -37.5(3) . . . . ?
C10 Fe1 C6 C5 -50.7(6) . . . . ?
C9 Fe1 C6 C5 -83.5(4) . . . . ?
C11 Fe1 C6 C5 164.6(8) . . . . ?
C13 Fe1 C6 C5 -126.0(3) . . . . ?
C4 Fe1 C6 C5 37.8(3) . . . . ?
C12 Fe1 C6 C5 -166.0(3) . . . . ?
C8 Fe1 C6 C5 81.7(3) . . . . ?
C7 Fe1 C6 C5 119.2(4) . . . . ?
C10 Fe1 C7 C6 160.2(9) . . . . ?
C9 Fe1 C7 C6 -47.5(6) . . . . ?
C11 Fe1 C7 C6 -166.3(3) . . . . ?
C13 Fe1 C7 C6 -83.4(4) . . . . ?
C4 Fe1 C7 C6 82.0(3) . . . . ?
C12 Fe1 C7 C6 -125.8(3) . . . . ?
C5 Fe1 C7 C6 37.8(3) . . . . ?
C8 Fe1 C7 C6 119.4(4) . . . . ?
C10 Fe1 C7 C8 40.8(11) . . . . ?
C9 Fe1 C7 C8 -167.0(5) . . . . ?
C11 Fe1 C7 C8 74.3(4) . . . . ?
C13 Fe1 C7 C8 157.1(3) . . . . ?
C4 Fe1 C7 C8 -37.5(3) . . . . ?
C12 Fe1 C7 C8 114.7(3) . . . . ?
C5 Fe1 C7 C8 -81.7(3) . . . . ?
C6 Fe1 C7 C8 -119.4(4) . . . . ?
C10 Fe1 C8 C7 -168.5(4) . . . . ?
C9 Fe1 C8 C7 156.0(9) . . . . ?
C11 Fe1 C8 C7 -126.6(4) . . . . ?
C13 Fe1 C8 C7 -49.6(7) . . . . ?
C4 Fe1 C8 C7 119.8(4) . . . . ?
C12 Fe1 C8 C7 -84.2(4) . . . . ?
C5 Fe1 C8 C7 81.3(4) . . . . ?
C6 Fe1 C8 C7 37.4(3) . . . . ?
C10 Fe1 C8 C4 71.7(4) . . . . ?
C9 Fe1 C8 C4 36.2(10) . . . . ?
C11 Fe1 C8 C4 113.6(3) . . . . ?
C13 Fe1 C8 C4 -169.4(5) . . . . ?
C12 Fe1 C8 C4 156.0(3) . . . . ?
C5 Fe1 C8 C4 -38.5(3) . . . . ?
C6 Fe1 C8 C4 -82.4(3) . . . . ?
C7 Fe1 C8 C4 -119.8(4) . . . . ?
C11 Fe1 C9 C10 -38.1(4) . . . . ?
C13 Fe1 C9 C10 -117.9(6) . . . . ?
C4 Fe1 C9 C10 73.6(4) . . . . ?
C12 Fe1 C9 C10 -81.2(4) . . . . ?
C5 Fe1 C9 C10 114.5(4) . . . . ?
C6 Fe1 C9 C10 157.1(4) . . . . ?
C8 Fe1 C9 C10 44.8(11) . . . . ?
C7 Fe1 C9 C10 -170.0(5) . . . . ?
C10 Fe1 C9 C13 117.9(6) . . . . ?
C11 Fe1 C9 C13 79.8(4) . . . . ?
C4 Fe1 C9 C13 -168.6(3) . . . . ?
C12 Fe1 C9 C13 36.7(4) . . . . ?
C5 Fe1 C9 C13 -127.6(4) . . . . ?
C6 Fe1 C9 C13 -85.0(4) . . . . ?
C8 Fe1 C9 C13 162.7(8) . . . . ?
C7 Fe1 C9 C13 -52.2(7) . . . . ?
C11 Fe1 C10 C9 119.0(5) . . . . ?
C13 Fe1 C10 C9 38.2(4) . . . . ?
C4 Fe1 C10 C9 -126.0(4) . . . . ?
C12 Fe1 C10 C9 81.5(4) . . . . ?
C5 Fe1 C10 C9 -82.7(4) . . . . ?
C6 Fe1 C10 C9 -47.6(7) . . . . ?
C8 Fe1 C10 C9 -166.7(3) . . . . ?
C7 Fe1 C10 C9 160.6(9) . . . . ?
C9 Fe1 C10 C11 -119.0(5) . . . . ?
C13 Fe1 C10 C11 -80.8(4) . . . . ?
C4 Fe1 C10 C11 114.9(4) . . . . ?
C12 Fe1 C10 C11 -37.5(4) . . . . ?
C5 Fe1 C10 C11 158.3(3) . . . . ?
C6 Fe1 C10 C11 -166.6(4) . . . . ?
C8 Fe1 C10 C11 74.3(4) . . . . ?
C7 Fe1 C10 C11 41.6(11) . . . . ?
C10 Fe1 C11 C12 -118.3(5) . . . . ?
C9 Fe1 C11 C12 -80.9(4) . . . . ?
C13 Fe1 C11 C12 -37.4(4) . . . . ?
C4 Fe1 C11 C12 158.2(3) . . . . ?
C5 Fe1 C11 C12 -165.5(4) . . . . ?
C6 Fe1 C11 C12 37.5(11) . . . . ?
C8 Fe1 C11 C12 114.7(4) . . . . ?
C7 Fe1 C11 C12 73.3(4) . . . . ?
C9 Fe1 C11 C10 37.4(4) . . . . ?
C13 Fe1 C11 C10 81.0(4) . . . . ?
C4 Fe1 C11 C10 -83.4(4) . . . . ?
C12 Fe1 C11 C10 118.3(5) . . . . ?
C5 Fe1 C11 C10 -47.2(7) . . . . ?
C6 Fe1 C11 C10 155.9(9) . . . . ?
C8 Fe1 C11 C10 -127.0(4) . . . . ?
C7 Fe1 C11 C10 -168.4(4) . . . . ?
C10 Fe1 C12 C11 38.6(4) . . . . ?
C9 Fe1 C12 C11 82.2(4) . . . . ?
C13 Fe1 C12 C11 119.2(6) . . . . ?
C4 Fe1 C12 C11 -46.9(7) . . . . ?
C5 Fe1 C12 C11 155.7(8) . . . . ?
C6 Fe1 C12 C11 -168.4(4) . . . . ?
C8 Fe1 C12 C11 -84.0(4) . . . . ?
C7 Fe1 C12 C11 -127.0(4) . . . . ?
C10 Fe1 C12 C13 -80.6(5) . . . . ?
C9 Fe1 C12 C13 -37.0(4) . . . . ?
C11 Fe1 C12 C13 -119.2(6) . . . . ?
C4 Fe1 C12 C13 -166.1(4) . . . . ?
C5 Fe1 C12 C13 36.6(10) . . . . ?
C6 Fe1 C12 C13 72.4(5) . . . . ?
C8 Fe1 C12 C13 156.9(4) . . . . ?
C7 Fe1 C12 C13 113.8(4) . . . . ?
C10 Fe1 C13 C12 82.0(5) . . . . ?
C9 Fe1 C13 C12 120.2(6) . . . . ?
C11 Fe1 C13 C12 37.4(4) . . . . ?
C4 Fe1 C13 C12 156.7(7) . . . . ?
C5 Fe1 C13 C12 -168.4(4) . . . . ?
C6 Fe1 C13 C12 -127.2(4) . . . . ?
C8 Fe1 C13 C12 -49.9(7) . . . . ?
C7 Fe1 C13 C12 -84.5(5) . . . . ?
C10 Fe1 C13 C9 -38.2(4) . . . . ?
C11 Fe1 C13 C9 -82.8(5) . . . . ?
C4 Fe1 C13 C9 36.5(10) . . . . ?
C12 Fe1 C13 C9 -120.2(6) . . . . ?
C5 Fe1 C13 C9 71.4(5) . . . . ?
C6 Fe1 C13 C9 112.6(4) . . . . ?
C8 Fe1 C13 C9 -170.1(5) . . . . ?
C7 Fe1 C13 C9 155.2(4) . . . . ?
C24 Fe2 C19 C23 120.0(5) . . . . ?
C25 Fe2 C19 C23 79.5(5) . . . . ?
C28 Fe2 C19 C23 160.8(4) . . . . ?
C20 Fe2 C19 C23 -117.4(4) . . . . ?
C26 Fe2 C19 C23 57.5(9) . . . . ?
C27 Fe2 C19 C23 -170.8(5) . . . . ?
C21 Fe2 C19 C23 -79.3(3) . . . . ?
C22 Fe2 C19 C23 -36.3(3) . . . . ?
C24 Fe2 C19 C20 -122.6(6) . . . . ?
C25 Fe2 C19 C20 -163.1(5) . . . . ?
C28 Fe2 C19 C20 -81.8(5) . . . . ?
C26 Fe2 C19 C20 174.9(8) . . . . ?
C27 Fe2 C19 C20 -53.4(6) . . . . ?
C21 Fe2 C19 C20 38.1(4) . . . . ?
C22 Fe2 C19 C20 81.1(4) . . . . ?
C23 Fe2 C19 C20 117.4(4) . . . . ?
C24 Fe2 C19 C18 -0.3(6) . . . . ?
C25 Fe2 C19 C18 -40.8(6) . . . . ?
C28 Fe2 C19 C18 40.6(5) . . . . ?
C20 Fe2 C19 C18 122.4(5) . . . . ?
C26 Fe2 C19 C18 -62.8(9) . . . . ?
C27 Fe2 C19 C18 68.9(7) . . . . ?
C21 Fe2 C19 C18 160.5(4) . . . . ?
C22 Fe2 C19 C18 -156.5(4) . . . . ?
C23 Fe2 C19 C18 -120.3(5) . . . . ?
C24 Fe2 C20 C19 75.7(5) . . . . ?
C25 Fe2 C20 C19 48.2(9) . . . . ?
C28 Fe2 C20 C19 115.6(4) . . . . ?
C26 Fe2 C20 C19 -176.6(5) . . . . ?
C27 Fe2 C20 C19 155.9(3) . . . . ?
C21 Fe2 C20 C19 -118.8(5) . . . . ?
C22 Fe2 C20 C19 -81.8(3) . . . . ?
C23 Fe2 C20 C19 -38.6(3) . . . . ?
C24 Fe2 C20 C21 -165.5(5) . . . . ?
C25 Fe2 C20 C21 167.1(8) . . . . ?
C28 Fe2 C20 C21 -125.6(5) . . . . ?
C19 Fe2 C20 C21 118.8(5) . . . . ?
C26 Fe2 C20 C21 -57.8(7) . . . . ?
C27 Fe2 C20 C21 -85.3(4) . . . . ?
C22 Fe2 C20 C21 37.0(4) . . . . ?
C23 Fe2 C20 C21 80.2(4) . . . . ?
C24 Fe2 C21 C22 159.7(8) . . . . ?
C25 Fe2 C21 C22 -50.3(8) . . . . ?
C28 Fe2 C21 C22 -167.2(4) . . . . ?
C19 Fe2 C21 C22 81.5(3) . . . . ?
C20 Fe2 C21 C22 119.4(5) . . . . ?
C26 Fe2 C21 C22 -85.5(4) . . . . ?
C27 Fe2 C21 C22 -126.2(4) . . . . ?
C23 Fe2 C21 C22 37.6(3) . . . . ?
C24 Fe2 C21 C20 40.3(9) . . . . ?
C25 Fe2 C21 C20 -169.7(6) . . . . ?
C28 Fe2 C21 C20 73.5(4) . . . . ?
C19 Fe2 C21 C20 -37.9(3) . . . . ?
C26 Fe2 C21 C20 155.2(4) . . . . ?
C27 Fe2 C21 C20 114.4(4) . . . . ?
C22 Fe2 C21 C20 -119.4(5) . . . . ?
C23 Fe2 C21 C20 -81.7(3) . . . . ?
C24 Fe2 C22 C21 -163.3(7) . . . . ?
C25 Fe2 C22 C21 158.8(5) . . . . ?
C28 Fe2 C22 C21 37.7(10) . . . . ?
C19 Fe2 C22 C21 -81.9(3) . . . . ?
C20 Fe2 C22 C21 -38.0(3) . . . . ?
C26 Fe2 C22 C21 115.4(4) . . . . ?
C27 Fe2 C22 C21 74.7(4) . . . . ?
C23 Fe2 C22 C21 -118.8(5) . . . . ?
C24 Fe2 C22 C23 -44.5(9) . . . . ?
C25 Fe2 C22 C23 -82.5(5) . . . . ?
C28 Fe2 C22 C23 156.4(8) . . . . ?
C19 Fe2 C22 C23 36.8(3) . . . . ?
C20 Fe2 C22 C23 80.8(3) . . . . ?
C26 Fe2 C22 C23 -125.8(4) . . . . ?
C27 Fe2 C22 C23 -166.5(4) . . . . ?
C21 Fe2 C22 C23 118.8(5) . . . . ?
C24 Fe2 C23 C22 161.2(6) . . . . ?
C25 Fe2 C23 C22 117.5(6) . . . . ?
C28 Fe2 C23 C22 -163.7(7) . . . . ?
C19 Fe2 C23 C22 -120.9(5) . . . . ?
C20 Fe2 C23 C22 -82.2(4) . . . . ?
C26 Fe2 C23 C22 76.7(5) . . . . ?
C27 Fe2 C23 C22 43.8(11) . . . . ?
C21 Fe2 C23 C22 -37.6(4) . . . . ?
C24 Fe2 C23 C19 -77.9(5) . . . . ?
C25 Fe2 C23 C19 -121.6(5) . . . . ?
C28 Fe2 C23 C19 -42.8(8) . . . . ?
C20 Fe2 C23 C19 38.8(3) . . . . ?
C26 Fe2 C23 C19 -162.4(4) . . . . ?
C27 Fe2 C23 C19 164.8(9) . . . . ?
C21 Fe2 C23 C19 83.3(3) . . . . ?
C22 Fe2 C23 C19 120.9(5) . . . . ?
C25 Fe2 C24 C28 -118.0(7) . . . . ?
C19 Fe2 C24 C28 116.1(5) . . . . ?
C20 Fe2 C24 C28 74.9(5) . . . . ?
C26 Fe2 C24 C28 -79.4(5) . . . . ?
C27 Fe2 C24 C28 -37.3(4) . . . . ?
C21 Fe2 C24 C28 44.3(10) . . . . ?
C22 Fe2 C24 C28 -170.4(5) . . . . ?
C23 Fe2 C24 C28 157.6(4) . . . . ?
C28 Fe2 C24 C25 118.0(7) . . . . ?
C19 Fe2 C24 C25 -125.9(5) . . . . ?
C20 Fe2 C24 C25 -167.1(5) . . . . ?
C26 Fe2 C24 C25 38.6(5) . . . . ?
C27 Fe2 C24 C25 80.7(5) . . . . ?
C21 Fe2 C24 C25 162.3(7) . . . . ?
C22 Fe2 C24 C25 -52.4(8) . . . . ?
C23 Fe2 C24 C25 -84.4(5) . . . . ?
C24 Fe2 C25 C26 116.5(7) . . . . ?
C28 Fe2 C25 C26 78.9(5) . . . . ?
C19 Fe2 C25 C26 -170.7(4) . . . . ?
C20 Fe2 C25 C26 152.6(7) . . . . ?
C27 Fe2 C25 C26 36.1(4) . . . . ?
C21 Fe2 C25 C26 -49.2(9) . . . . ?
C22 Fe2 C25 C26 -85.2(5) . . . . ?
C23 Fe2 C25 C26 -127.8(4) . . . . ?
C28 Fe2 C25 C24 -37.6(5) . . . . ?
C19 Fe2 C25 C24 72.9(6) . . . . ?
C20 Fe2 C25 C24 36.1(10) . . . . ?
C26 Fe2 C25 C24 -116.5(7) . . . . ?
C27 Fe2 C25 C24 -80.4(5) . . . . ?
C21 Fe2 C25 C24 -165.6(7) . . . . ?
C22 Fe2 C25 C24 158.4(5) . . . . ?
C23 Fe2 C25 C24 115.7(5) . . . . ?
C24 Fe2 C26 C27 80.5(6) . . . . ?
C25 Fe2 C26 C27 119.9(7) . . . . ?
C28 Fe2 C26 C27 37.1(5) . . . . ?
C19 Fe2 C26 C27 148.3(7) . . . . ?
C20 Fe2 C26 C27 -39.7(9) . . . . ?
C21 Fe2 C26 C27 -80.9(5) . . . . ?
C22 Fe2 C26 C27 -124.4(5) . . . . ?
C23 Fe2 C26 C27 -166.6(4) . . . . ?
C24 Fe2 C26 C25 -39.4(5) . . . . ?
C28 Fe2 C26 C25 -82.8(6) . . . . ?
C19 Fe2 C26 C25 28.4(11) . . . . ?
C20 Fe2 C26 C25 -159.6(7) . . . . ?
C27 Fe2 C26 C25 -119.9(7) . . . . ?
C21 Fe2 C26 C25 159.2(6) . . . . ?
C22 Fe2 C26 C25 115.7(6) . . . . ?
C23 Fe2 C26 C25 73.5(6) . . . . ?
C24 Fe2 C27 C26 -82.0(6) . . . . ?
C25 Fe2 C27 C26 -37.3(5) . . . . ?
C28 Fe2 C27 C26 -119.6(7) . . . . ?
C19 Fe2 C27 C26 -160.5(5) . . . . ?
C20 Fe2 C27 C26 161.9(5) . . . . ?
C21 Fe2 C27 C26 117.9(5) . . . . ?
C22 Fe2 C27 C26 76.8(6) . . . . ?
C23 Fe2 C27 C26 42.4(12) . . . . ?
C24 Fe2 C27 C28 37.6(6) . . . . ?
C25 Fe2 C27 C28 82.3(6) . . . . ?
C19 Fe2 C27 C28 -41.0(8) . . . . ?
C20 Fe2 C27 C28 -78.5(6) . . . . ?
C26 Fe2 C27 C28 119.6(7) . . . . ?
C21 Fe2 C27 C28 -122.5(6) . . . . ?
C22 Fe2 C27 C28 -163.6(5) . . . . ?
C23 Fe2 C27 C28 162.0(9) . . . . ?
C24 Fe2 C28 C27 -118.6(7) . . . . ?
C25 Fe2 C28 C27 -80.0(6) . . . . ?
C19 Fe2 C28 C27 160.8(4) . . . . ?
C20 Fe2 C28 C27 118.5(5) . . . . ?
C26 Fe2 C28 C27 -36.4(5) . . . . ?
C21 Fe2 C28 C27 77.5(5) . . . . ?
C22 Fe2 C28 C27 48.6(11) . . . . ?
C23 Fe2 C28 C27 -168.8(5) . . . . ?
C25 Fe2 C28 C24 38.6(5) . . . . ?
C19 Fe2 C28 C24 -80.5(6) . . . . ?
C20 Fe2 C28 C24 -122.9(5) . . . . ?
C26 Fe2 C28 C24 82.3(6) . . . . ?
C27 Fe2 C28 C24 118.6(7) . . . . ?
C21 Fe2 C28 C24 -163.9(5) . . . . ?
C22 Fe2 C28 C24 167.3(8) . . . . ?
C23 Fe2 C28 C24 -50.1(9) . . . . ?
C43 Fe3 C34 C38 -158.8(6) . . . . ?
C36 Fe3 C34 C38 -81.0(3) . . . . ?
C39 Fe3 C34 C38 160.5(3) . . . . ?
C42 Fe3 C34 C38 35.2(7) . . . . ?
C37 Fe3 C34 C38 -37.5(3) . . . . ?
C35 Fe3 C34 C38 -118.6(3) . . . . ?
C41 Fe3 C34 C38 74.5(4) . . . . ?
C40 Fe3 C34 C38 117.0(3) . . . . ?
C43 Fe3 C34 C35 -40.2(6) . . . . ?
C36 Fe3 C34 C35 37.7(2) . . . . ?
C39 Fe3 C34 C35 -80.8(3) . . . . ?
C42 Fe3 C34 C35 153.8(6) . . . . ?
C37 Fe3 C34 C35 81.2(3) . . . . ?
C41 Fe3 C34 C35 -166.8(3) . . . . ?
C40 Fe3 C34 C35 -124.3(3) . . . . ?
C38 Fe3 C34 C35 118.6(3) . . . . ?
C43 Fe3 C34 C33 80.6(7) . . . . ?
C36 Fe3 C34 C33 158.4(4) . . . . ?
C39 Fe3 C34 C33 40.0(4) . . . . ?
C42 Fe3 C34 C33 -85.4(7) . . . . ?
C37 Fe3 C34 C33 -158.1(4) . . . . ?
C35 Fe3 C34 C33 120.8(4) . . . . ?
C41 Fe3 C34 C33 -46.1(5) . . . . ?
C40 Fe3 C34 C33 -3.6(4) . . . . ?
C38 Fe3 C34 C33 -120.6(4) . . . . ?
C43 Fe3 C35 C36 -75.7(3) . . . . ?
C39 Fe3 C35 C36 -120.3(3) . . . . ?
C42 Fe3 C35 C36 -36.9(7) . . . . ?
C37 Fe3 C35 C36 37.7(3) . . . . ?
C41 Fe3 C35 C36 159.3(8) . . . . ?
C40 Fe3 C35 C36 -162.5(3) . . . . ?
C34 Fe3 C35 C36 119.4(3) . . . . ?
C38 Fe3 C35 C36 81.6(3) . . . . ?
C43 Fe3 C35 C34 165.0(3) . . . . ?
C36 Fe3 C35 C34 -119.4(3) . . . . ?
C39 Fe3 C35 C34 120.3(3) . . . . ?
C42 Fe3 C35 C34 -156.3(6) . . . . ?
C37 Fe3 C35 C34 -81.7(2) . . . . ?
C41 Fe3 C35 C34 39.9(9) . . . . ?
C40 Fe3 C35 C34 78.1(3) . . . . ?
C38 Fe3 C35 C34 -37.8(2) . . . . ?
C43 Fe3 C36 C37 -119.0(3) . . . . ?
C39 Fe3 C36 C37 -160.4(3) . . . . ?
C42 Fe3 C36 C37 -77.0(4) . . . . ?
C35 Fe3 C36 C37 118.9(4) . . . . ?
C41 Fe3 C36 C37 -47.4(6) . . . . ?
C40 Fe3 C36 C37 173.9(6) . . . . ?
C34 Fe3 C36 C37 81.1(3) . . . . ?
C38 Fe3 C36 C37 37.6(3) . . . . ?
C43 Fe3 C36 C35 122.2(3) . . . . ?
C39 Fe3 C36 C35 80.8(3) . . . . ?
C42 Fe3 C36 C35 164.1(3) . . . . ?
C37 Fe3 C36 C35 -118.9(4) . . . . ?
C41 Fe3 C36 C35 -166.3(5) . . . . ?
C40 Fe3 C36 C35 55.1(8) . . . . ?
C34 Fe3 C36 C35 -37.7(2) . . . . ?
C38 Fe3 C36 C35 -81.3(3) . . . . ?
C43 Fe3 C37 C36 78.1(4) . . . . ?
C39 Fe3 C37 C36 51.6(8) . . . . ?
C42 Fe3 C37 C36 118.7(3) . . . . ?
C35 Fe3 C37 C36 -38.1(3) . . . . ?
C41 Fe3 C37 C36 158.5(3) . . . . ?
C40 Fe3 C37 C36 -175.7(5) . . . . ?
C34 Fe3 C37 C36 -82.3(3) . . . . ?
C38 Fe3 C37 C36 -119.5(4) . . . . ?
C43 Fe3 C37 C38 -162.4(3) . . . . ?
C36 Fe3 C37 C38 119.5(4) . . . . ?
C39 Fe3 C37 C38 171.1(6) . . . . ?
C42 Fe3 C37 C38 -121.8(3) . . . . ?
C35 Fe3 C37 C38 81.4(3) . . . . ?
C41 Fe3 C37 C38 -82.0(3) . . . . ?
C40 Fe3 C37 C38 -56.2(6) . . . . ?
C34 Fe3 C37 C38 37.2(3) . . . . ?
C43 Fe3 C38 C34 161.7(5) . . . . ?
C36 Fe3 C38 C34 82.4(3) . . . . ?
C39 Fe3 C38 C34 -51.3(7) . . . . ?
C42 Fe3 C38 C34 -165.9(3) . . . . ?
C37 Fe3 C38 C34 119.7(4) . . . . ?
C35 Fe3 C38 C34 38.3(2) . . . . ?
C41 Fe3 C38 C34 -124.5(3) . . . . ?
C40 Fe3 C38 C34 -83.9(3) . . . . ?
C43 Fe3 C38 C37 42.0(7) . . . . ?
C36 Fe3 C38 C37 -37.4(3) . . . . ?
C39 Fe3 C38 C37 -171.0(6) . . . . ?
C42 Fe3 C38 C37 74.4(4) . . . . ?
C35 Fe3 C38 C37 -81.5(3) . . . . ?
C41 Fe3 C38 C37 115.8(3) . . . . ?
C40 Fe3 C38 C37 156.4(3) . . . . ?
C34 Fe3 C38 C37 -119.7(4) . . . . ?
C43 Fe3 C39 C40 117.5(5) . . . . ?
C36 Fe3 C39 C40 -168.9(3) . . . . ?
C42 Fe3 C39 C40 79.6(4) . . . . ?
C37 Fe3 C39 C40 152.9(6) . . . . ?
C35 Fe3 C39 C40 -125.5(3) . . . . ?
C41 Fe3 C39 C40 36.6(3) . . . . ?
C34 Fe3 C39 C40 -81.9(4) . . . . ?
C38 Fe3 C39 C40 -43.9(8) . . . . ?
C36 Fe3 C39 C43 73.6(4) . . . . ?
C42 Fe3 C39 C43 -37.9(4) . . . . ?
C37 Fe3 C39 C43 35.5(8) . . . . ?
C35 Fe3 C39 C43 117.1(4) . . . . ?
C41 Fe3 C39 C43 -80.9(4) . . . . ?
C40 Fe3 C39 C43 -117.5(5) . . . . ?
C34 Fe3 C39 C43 160.6(3) . . . . ?
C38 Fe3 C39 C43 -161.4(6) . . . . ?
C43 Fe3 C40 C41 80.9(4) . . . . ?
C36 Fe3 C40 C41 153.4(6) . . . . ?
C39 Fe3 C40 C41 120.2(5) . . . . ?
C42 Fe3 C40 C41 36.8(4) . . . . ?
C37 Fe3 C40 C41 -36.4(7) . . . . ?
C35 Fe3 C40 C41 -163.7(3) . . . . ?
C34 Fe3 C40 C41 -120.3(3) . . . . ?
C38 Fe3 C40 C41 -76.7(4) . . . . ?
C43 Fe3 C40 C39 -39.3(4) . . . . ?
C36 Fe3 C40 C39 33.2(9) . . . . ?
C42 Fe3 C40 C39 -83.4(4) . . . . ?
C37 Fe3 C40 C39 -156.5(5) . . . . ?
C35 Fe3 C40 C39 76.1(4) . . . . ?
C41 Fe3 C40 C39 -120.2(5) . . . . ?
C34 Fe3 C40 C39 119.5(3) . . . . ?
C38 Fe3 C40 C39 163.1(3) . . . . ?
C43 Fe3 C41 C40 -82.3(4) . . . . ?
C36 Fe3 C41 C40 -162.6(4) . . . . ?
C39 Fe3 C41 C40 -37.3(4) . . . . ?
C42 Fe3 C41 C40 -120.4(6) . . . . ?
C37 Fe3 C41 C40 164.0(3) . . . . ?
C35 Fe3 C41 C40 49.7(10) . . . . ?
C34 Fe3 C41 C40 80.6(4) . . . . ?
C38 Fe3 C41 C40 121.5(3) . . . . ?
C43 Fe3 C41 C42 38.0(4) . . . . ?
C36 Fe3 C41 C42 -42.3(8) . . . . ?
C39 Fe3 C41 C42 83.1(5) . . . . ?
C37 Fe3 C41 C42 -75.6(5) . . . . ?
C35 Fe3 C41 C42 170.0(7) . . . . ?
C40 Fe3 C41 C42 120.4(6) . . . . ?
C34 Fe3 C41 C42 -159.0(4) . . . . ?
C38 Fe3 C41 C42 -118.1(4) . . . . ?
C43 Fe3 C42 C41 -119.0(6) . . . . ?
C36 Fe3 C42 C41 160.6(4) . . . . ?
C39 Fe3 C42 C41 -80.4(5) . . . . ?
C37 Fe3 C42 C41 120.0(4) . . . . ?
C35 Fe3 C42 C41 -172.7(5) . . . . ?
C40 Fe3 C42 C41 -36.6(4) . . . . ?
C34 Fe3 C42 C41 53.8(8) . . . . ?
C38 Fe3 C42 C41 79.7(5) . . . . ?
C36 Fe3 C42 C43 -80.5(4) . . . . ?
C39 Fe3 C42 C43 38.6(4) . . . . ?
C37 Fe3 C42 C43 -121.0(4) . . . . ?
C35 Fe3 C42 C43 -53.7(8) . . . . ?
C41 Fe3 C42 C43 119.0(6) . . . . ?
C40 Fe3 C42 C43 82.4(4) . . . . ?
C34 Fe3 C42 C43 172.8(5) . . . . ?
C38 Fe3 C42 C43 -161.3(3) . . . . ?
C36 Fe3 C43 C42 116.4(4) . . . . ?
C39 Fe3 C43 C42 -118.6(5) . . . . ?
C37 Fe3 C43 C42 75.2(4) . . . . ?
C35 Fe3 C43 C42 157.6(3) . . . . ?
C41 Fe3 C43 C42 -37.3(4) . . . . ?
C40 Fe3 C43 C42 -80.2(4) . . . . ?
C34 Fe3 C43 C42 -172.3(5) . . . . ?
C38 Fe3 C43 C42 44.7(7) . . . . ?
C36 Fe3 C43 C39 -125.0(4) . . . . ?
C42 Fe3 C43 C39 118.6(5) . . . . ?
C37 Fe3 C43 C39 -166.3(3) . . . . ?
C35 Fe3 C43 C39 -83.9(4) . . . . ?
C41 Fe3 C43 C39 81.3(4) . . . . ?
C40 Fe3 C43 C39 38.3(4) . . . . ?
C34 Fe3 C43 C39 -53.7(7) . . . . ?
C38 Fe3 C43 C39 163.3(5) . . . . ?
C57 Fe4 C49 C50 112.0(5) . . . . ?
C55 Fe4 C49 C50 -175.0(5) . . . . ?
C58 Fe4 C49 C50 70.4(6) . . . . ?
C56 Fe4 C49 C50 154.2(4) . . . . ?
C51 Fe4 C49 C50 -38.8(4) . . . . ?
C53 Fe4 C49 C50 -117.6(5) . . . . ?
C52 Fe4 C49 C50 -81.1(4) . . . . ?
C57 Fe4 C49 C53 -130.4(5) . . . . ?
C55 Fe4 C49 C53 -57.4(5) . . . . ?
C58 Fe4 C49 C53 -171.9(5) . . . . ?
C50 Fe4 C49 C53 117.6(5) . . . . ?
C56 Fe4 C49 C53 -88.2(4) . . . . ?
C51 Fe4 C49 C53 78.8(4) . . . . ?
C52 Fe4 C49 C53 36.5(4) . . . . ?
C57 Fe4 C49 C48 -9.1(5) . . . . ?
C55 Fe4 C49 C48 63.9(6) . . . . ?
C58 Fe4 C49 C48 -50.7(6) . . . . ?
C50 Fe4 C49 C48 -121.1(6) . . . . ?
C56 Fe4 C49 C48 33.1(5) . . . . ?
C51 Fe4 C49 C48 -159.9(5) . . . . ?
C53 Fe4 C49 C48 121.3(5) . . . . ?
C52 Fe4 C49 C48 157.8(5) . . . . ?
C57 Fe4 C50 C49 -86.0(5) . . . . ?
C58 Fe4 C50 C49 -133.2(5) . . . . ?
C56 Fe4 C50 C49 -49.6(7) . . . . ?
C51 Fe4 C50 C49 118.2(5) . . . . ?
C53 Fe4 C50 C49 38.7(3) . . . . ?
C54 Fe4 C50 C49 -173.2(4) . . . . ?
C52 Fe4 C50 C49 82.0(4) . . . . ?
C57 Fe4 C50 C51 155.8(5) . . . . ?
C58 Fe4 C50 C51 108.6(6) . . . . ?
C56 Fe4 C50 C51 -167.8(6) . . . . ?
C49 Fe4 C50 C51 -118.2(5) . . . . ?
C53 Fe4 C50 C51 -79.5(4) . . . . ?
C54 Fe4 C50 C51 68.6(6) . . . . ?
C52 Fe4 C50 C51 -36.2(4) . . . . ?
C57 Fe4 C52 C51 161.1(11) . . . . ?
C55 Fe4 C52 C51 -134.3(5) . . . . ?
C58 Fe4 C52 C51 -58.5(8) . . . . ?
C50 Fe4 C52 C51 38.2(4) . . . . ?
C56 Fe4 C52 C51 -171.9(4) . . . . ?
C49 Fe4 C52 C51 82.1(4) . . . . ?
C53 Fe4 C52 C51 119.4(6) . . . . ?
C54 Fe4 C52 C51 -94.0(5) . . . . ?
C57 Fe4 C52 C53 41.7(14) . . . . ?
C55 Fe4 C52 C53 106.3(5) . . . . ?
C58 Fe4 C52 C53 -177.9(6) . . . . ?
C50 Fe4 C52 C53 -81.2(4) . . . . ?
C56 Fe4 C52 C53 68.7(5) . . . . ?
C49 Fe4 C52 C53 -37.3(4) . . . . ?
C51 Fe4 C52 C53 -119.4(6) . . . . ?
C54 Fe4 C52 C53 146.6(5) . . . . ?
C57 Fe4 C54 C55 77.3(5) . . . . ?
C58 Fe4 C54 C55 119.3(7) . . . . ?
C50 Fe4 C54 C55 -174.2(5) . . . . ?
C56 Fe4 C54 C55 34.2(5) . . . . ?
C51 Fe4 C54 C55 -132.5(5) . . . . ?
C53 Fe4 C54 C55 -51.9(7) . . . . ?
C52 Fe4 C54 C55 -89.6(6) . . . . ?
C57 Fe4 C54 C58 -42.0(5) . . . . ?
C55 Fe4 C54 C58 -119.3(7) . . . . ?
C50 Fe4 C54 C58 66.6(7) . . . . ?
C56 Fe4 C54 C58 -85.1(6) . . . . ?
C51 Fe4 C54 C58 108.3(6) . . . . ?
C53 Fe4 C54 C58 -171.1(6) . . . . ?
C52 Fe4 C54 C58 151.2(6) . . . . ?
C57 Fe4 C55 C54 -85.9(6) . . . . ?
C58 Fe4 C55 C54 -38.4(6) . . . . ?
C56 Fe4 C55 C54 -123.7(8) . . . . ?
C49 Fe4 C55 C54 -172.7(4) . . . . ?
C51 Fe4 C55 C54 68.5(7) . . . . ?
C53 Fe4 C55 C54 149.7(5) . . . . ?
C52 Fe4 C55 C54 106.6(5) . . . . ?
C57 Fe4 C55 C56 37.7(5) . . . . ?
C58 Fe4 C55 C56 85.3(6) . . . . ?
C49 Fe4 C55 C56 -49.0(8) . . . . ?
C51 Fe4 C55 C56 -167.8(5) . . . . ?
C53 Fe4 C55 C56 -86.6(6) . . . . ?
C54 Fe4 C55 C56 123.7(8) . . . . ?
C52 Fe4 C55 C56 -129.7(6) . . . . ?
C57 Fe4 C58 C54 114.5(6) . . . . ?
C55 Fe4 C58 C54 35.6(5) . . . . ?
C50 Fe4 C58 C54 -136.9(5) . . . . ?
C56 Fe4 C58 C54 76.6(5) . . . . ?
C49 Fe4 C58 C54 -178.4(4) . . . . ?
C51 Fe4 C58 C54 -91.5(6) . . . . ?
C52 Fe4 C58 C54 -53.7(8) . . . . ?
C55 Fe4 C58 C57 -78.9(5) . . . . ?
C50 Fe4 C58 C57 108.5(5) . . . . ?
C56 Fe4 C58 C57 -37.9(4) . . . . ?
C49 Fe4 C58 C57 67.1(5) . . . . ?
C51 Fe4 C58 C57 154.0(5) . . . . ?
C54 Fe4 C58 C57 -114.5(6) . . . . ?
C52 Fe4 C58 C57 -168.2(6) . . . . ?
C57 Fe4 C51 C52 -171.2(5) . . . . ?
C55 Fe4 C51 C52 66.4(6) . . . . ?
C58 Fe4 C51 C52 148.5(5) . . . . ?
C50 Fe4 C51 C52 -119.9(5) . . . . ?
C56 Fe4 C51 C52 30.0(14) . . . . ?
C49 Fe4 C51 C52 -81.8(4) . . . . ?
C53 Fe4 C51 C52 -37.5(4) . . . . ?
C54 Fe4 C51 C52 104.1(5) . . . . ?
C57 Fe4 C51 C50 -51.3(7) . . . . ?
C55 Fe4 C51 C50 -173.7(5) . . . . ?
C58 Fe4 C51 C50 -91.6(5) . . . . ?
C56 Fe4 C51 C50 149.9(12) . . . . ?
C49 Fe4 C51 C50 38.1(3) . . . . ?
C53 Fe4 C51 C50 82.4(4) . . . . ?
C54 Fe4 C51 C50 -136.0(5) . . . . ?
C52 Fe4 C51 C50 119.9(5) . . . . ?
C57 Fe4 C53 C52 -169.1(5) . . . . ?
C55 Fe4 C53 C52 -91.0(6) . . . . ?
C50 Fe4 C53 C52 81.9(5) . . . . ?
C56 Fe4 C53 C52 -130.9(5) . . . . ?
C49 Fe4 C53 C52 120.4(6) . . . . ?
C51 Fe4 C53 C52 36.8(5) . . . . ?
C54 Fe4 C53 C52 -59.0(7) . . . . ?
C57 Fe4 C53 C49 70.5(5) . . . . ?
C55 Fe4 C53 C49 148.6(4) . . . . ?
C50 Fe4 C53 C49 -38.5(3) . . . . ?
C56 Fe4 C53 C49 108.6(4) . . . . ?
C51 Fe4 C53 C49 -83.6(4) . . . . ?
C54 Fe4 C53 C49 -179.5(4) . . . . ?
C52 Fe4 C53 C49 -120.4(6) . . . . ?
C57 Fe4 C56 C55 -119.3(7) . . . . ?
C58 Fe4 C56 C55 -78.1(6) . . . . ?
C50 Fe4 C56 C55 -174.5(6) . . . . ?
C49 Fe4 C56 C55 152.1(5) . . . . ?
C51 Fe4 C56 C55 45.5(15) . . . . ?
C53 Fe4 C56 C55 108.7(6) . . . . ?
C54 Fe4 C56 C55 -33.9(5) . . . . ?
C52 Fe4 C56 C55 69.7(7) . . . . ?
C55 Fe4 C56 C57 119.3(7) . . . . ?
C58 Fe4 C56 C57 41.2(5) . . . . ?
C50 Fe4 C56 C57 -55.3(8) . . . . ?
C49 Fe4 C56 C57 -88.6(5) . . . . ?
C51 Fe4 C56 C57 164.7(11) . . . . ?
C53 Fe4 C56 C57 -132.1(5) . . . . ?
C54 Fe4 C56 C57 85.3(5) . . . . ?
C52 Fe4 C56 C57 -171.1(4) . . . . ?
C55 Fe4 C57 C56 -36.0(5) . . . . ?
C58 Fe4 C57 C56 -116.3(6) . . . . ?
C50 Fe4 C57 C56 151.2(4) . . . . ?
C49 Fe4 C57 C56 107.9(4) . . . . ?
C51 Fe4 C57 C56 -172.9(5) . . . . ?
C53 Fe4 C57 C56 67.3(5) . . . . ?
C54 Fe4 C57 C56 -76.8(5) . . . . ?
C52 Fe4 C57 C56 33.4(13) . . . . ?
C55 Fe4 C57 C58 80.3(5) . . . . ?
C50 Fe4 C57 C58 -92.4(5) . . . . ?
C56 Fe4 C57 C58 116.3(6) . . . . ?
C49 Fe4 C57 C58 -135.7(5) . . . . ?
C51 Fe4 C57 C58 -56.5(7) . . . . ?
C53 Fe4 C57 C58 -176.4(5) . . . . ?
C54 Fe4 C57 C58 39.5(5) . . . . ?
C52 Fe4 C57 C58 149.7(12) . . . . ?
N2 P1 N1 P2 -7.4(3) . . . . ?
N4 P1 N1 P2 121.0(2) . . . . ?
N5 P1 N1 P2 -135.2(2) . . . . ?
N1 P1 N2 P3 4.3(3) . . . . ?
N4 P1 N2 P3 -122.2(3) . . . . ?
N5 P1 N2 P3 131.9(3) . . . . ?
N2 P1 N4 C3 44.7(4) . . . . ?
N1 P1 N4 C3 -83.5(4) . . . . ?
N5 P1 N4 C3 161.3(3) . . . . ?
N2 P1 N4 C2 -101.8(3) . . . . ?
N1 P1 N4 C2 130.0(3) . . . . ?
N5 P1 N4 C2 14.8(3) . . . . ?
N2 P1 N5 C14 -91.3(3) . . . . ?
N1 P1 N5 C14 37.1(3) . . . . ?
N4 P1 N5 C14 150.9(3) . . . . ?
N2 P1 N5 C1 128.0(3) . . . . ?
N1 P1 N5 C1 -103.6(3) . . . . ?
N4 P1 N5 C1 10.2(3) . . . . ?
N3 P2 N1 P1 4.1(4) . . . . ?
Cl2 P2 N1 P1 -123.5(2) . . . . ?
Cl1 P2 N1 P1 130.7(2) . . . . ?
N1 P2 N3 P3 3.4(4) . . . . ?
Cl2 P2 N3 P3 131.1(2) . . . . ?
Cl1 P2 N3 P3 -123.0(2) . . . . ?
N3 P3 N2 P1 2.3(3) . . . . ?
N7 P3 N2 P1 -124.7(3) . . . . ?
N6 P3 N2 P1 129.4(3) . . . . ?
N2 P3 N3 P2 -6.2(3) . . . . ?
N7 P3 N3 P2 122.2(3) . . . . ?
N6 P3 N3 P2 -134.8(2) . . . . ?
N2 P3 N6 C16 109.8(3) . . . . ?
N3 P3 N6 C16 -122.5(3) . . . . ?
N7 P3 N6 C16 -8.2(4) . . . . ?
N2 P3 N6 C29 -44.7(5) . . . . ?
N3 P3 N6 C29 83.0(5) . . . . ?
N7 P3 N6 C29 -162.7(5) . . . . ?
N2 P3 N7 C17 -123.5(3) . . . . ?
N3 P3 N7 C17 108.9(3) . . . . ?
N6 P3 N7 C17 -5.3(4) . . . . ?
N2 P3 N7 C18 76.6(4) . . . . ?
N3 P3 N7 C18 -51.1(4) . . . . ?
N6 P3 N7 C18 -165.3(4) . . . . ?
N10 P5 N8 P4 -2.4(4) . . . . ?
Cl3 P5 N8 P4 124.6(2) . . . . ?
Cl4 P5 N8 P4 -129.7(2) . . . . ?
N9 P4 N8 P5 3.9(4) . . . . ?
N12 P4 N8 P5 -125.5(3) . . . . ?
N11 P4 N8 P5 131.2(3) . . . . ?
N8 P4 N9 P6 -4.9(4) . . . . ?
N12 P4 N9 P6 121.5(3) . . . . ?
N11 P4 N9 P6 -133.6(3) . . . . ?
N9 P4 N11 C31 -120.2(4) . . . . ?
N8 P4 N11 C31 111.1(4) . . . . ?
N12 P4 N11 C31 -1.8(4) . . . . ?
N9 P4 N11 C44 45.8(6) . . . . ?
N8 P4 N11 C44 -82.8(6) . . . . ?
N12 P4 N11 C44 164.3(6) . . . . ?
N9 P4 N12 C33 -84.6(3) . . . . ?
N8 P4 N12 C33 43.9(4) . . . . ?
N11 P4 N12 C33 160.3(3) . . . . ?
N9 P4 N12 C32 112.5(3) . . . . ?
N8 P4 N12 C32 -119.0(3) . . . . ?
N11 P4 N12 C32 -2.6(4) . . . . ?
N8 P5 N10 P6 1.2(4) . . . . ?
Cl3 P5 N10 P6 -126.1(3) . . . . ?
Cl4 P5 N10 P6 128.0(3) . . . . ?
N10 P6 N9 P4 3.9(4) . . . . ?
N14 P6 N9 P4 -123.2(3) . . . . ?
N13 P6 N9 P4 130.7(3) . . . . ?
N9 P6 N10 P5 -1.7(4) . . . . ?
N14 P6 N10 P5 126.5(3) . . . . ?
N13 P6 N10 P5 -130.3(3) . . . . ?
N9 P6 N13 C59 -77.9(6) . . . . ?
N10 P6 N13 C59 50.3(6) . . . . ?
N14 P6 N13 C59 164.6(5) . . . . ?
N9 P6 N13 C46 131.5(4) . . . . ?
N10 P6 N13 C46 -100.3(4) . . . . ?
N14 P6 N13 C46 13.9(4) . . . . ?
N9 P6 N14 C47 -114.0(4) . . . . ?
N10 P6 N14 C47 117.9(4) . . . . ?
N13 P6 N14 C47 4.1(4) . . . . ?
N9 P6 N14 C48 40.7(4) . . . . ?
N10 P6 N14 C48 -87.4(4) . . . . ?
N13 P6 N14 C48 158.8(4) . . . . ?
C3 N4 C2 C1 178.8(4) . . . . ?
P1 N4 C2 C1 -33.8(4) . . . . ?
C2 N4 C3 C4 -58.1(5) . . . . ?
P1 N4 C3 C4 157.7(3) . . . . ?
C14 N5 C1 C2 -172.9(4) . . . . ?
P1 N5 C1 C2 -30.9(4) . . . . ?
C1 N5 C14 C15 -64.2(5) . . . . ?
P1 N5 C14 C15 157.7(3) . . . . ?
C29 N6 C16 C17 173.7(4) . . . . ?
P3 N6 C16 C17 18.2(5) . . . . ?
C16 N6 C29 C30 77.7(7) . . . . ?
P3 N6 C29 C30 -129.2(5) . . . . ?
C18 N7 C17 C16 176.6(4) . . . . ?
P3 N7 C17 C16 16.2(5) . . . . ?
C17 N7 C18 C19 79.2(5) . . . . ?
P3 N7 C18 C19 -122.0(4) . . . . ?
C31 N11 C44 C45 -73.3(13) . . . . ?
P4 N11 C44 C45 121.6(11) . . . . ?
C44 N11 C31 C32 -160.7(6) . . . . ?
P4 N11 C31 C32 5.4(6) . . . . ?
C33 N12 C32 C31 -157.5(4) . . . . ?
P4 N12 C32 C31 5.8(5) . . . . ?
C32 N12 C33 C34 46.4(5) . . . . ?
P4 N12 C33 C34 -115.5(3) . . . . ?
C59 N13 C46 C47 -177.1(6) . . . . ?
P6 N13 C46 C47 -26.8(5) . . . . ?
C46 N13 C59 C60 21.5(15) . . . . ?
P6 N13 C59 C60 -126.3(12) . . . . ?
C48 N14 C47 C46 -175.3(4) . . . . ?
P6 N14 C47 C46 -19.7(5) . . . . ?
C47 N14 C48 C49 -80.5(5) . . . . ?
P6 N14 C48 C49 126.0(4) . . . . ?
N4 C2 C1 N5 39.3(5) . . . . ?
C8 C4 C3 N4 -79.8(5) . . . . ?
C5 C4 C3 N4 100.9(5) . . . . ?
Fe1 C4 C3 N4 -169.6(3) . . . . ?
C8 C4 C5 C6 -1.0(5) . . . . ?
C3 C4 C5 C6 178.4(4) . . . . ?
Fe1 C4 C5 C6 59.2(3) . . . . ?
C8 C4 C5 Fe1 -60.2(3) . . . . ?
C3 C4 C5 Fe1 119.2(4) . . . . ?
C5 C4 C8 C7 0.7(5) . . . . ?
C3 C4 C8 C7 -178.7(4) . . . . ?
Fe1 C4 C8 C7 -59.2(3) . . . . ?
C5 C4 C8 Fe1 60.0(3) . . . . ?
C3 C4 C8 Fe1 -119.4(4) . . . . ?
C4 C5 C6 C7 0.8(6) . . . . ?
Fe1 C5 C6 C7 59.9(4) . . . . ?
C4 C5 C6 Fe1 -59.1(3) . . . . ?
C8 C7 C6 C5 -0.4(6) . . . . ?
Fe1 C7 C6 C5 -59.5(4) . . . . ?
C8 C7 C6 Fe1 59.2(4) . . . . ?
C4 C8 C7 C6 -0.2(6) . . . . ?
Fe1 C8 C7 C6 -59.0(4) . . . . ?
C4 C8 C7 Fe1 58.8(3) . . . . ?
C13 C9 C10 C11 -1.1(7) . . . . ?
Fe1 C9 C10 C11 59.7(4) . . . . ?
C13 C9 C10 Fe1 -60.8(4) . . . . ?
C12 C11 C10 C9 0.6(7) . . . . ?
Fe1 C11 C10 C9 -59.8(4) . . . . ?
C12 C11 C10 Fe1 60.4(4) . . . . ?
C10 C11 C12 C13 0.1(6) . . . . ?
Fe1 C11 C12 C13 59.7(4) . . . . ?
C10 C11 C12 Fe1 -59.6(4) . . . . ?
C12 C13 C9 C10 1.1(7) . . . . ?
Fe1 C13 C9 C10 60.4(4) . . . . ?
C12 C13 C9 Fe1 -59.3(4) . . . . ?
C9 C13 C12 C11 -0.8(7) . . . . ?
Fe1 C13 C12 C11 -59.5(4) . . . . ?
C9 C13 C12 Fe1 58.8(4) . . . . ?
N7 C17 C16 N6 -20.7(5) . . . . ?
C23 C19 C18 N7 73.2(5) . . . . ?
C20 C19 C18 N7 -109.4(5) . . . . ?
Fe2 C19 C18 N7 161.7(3) . . . . ?
C23 C19 C20 C21 1.2(5) . . . . ?
C18 C19 C20 C21 -176.6(4) . . . . ?
Fe2 C19 C20 C21 -59.7(3) . . . . ?
C23 C19 C20 Fe2 60.9(3) . . . . ?
C18 C19 C20 Fe2 -116.9(4) . . . . ?
C20 C19 C23 C22 -1.8(5) . . . . ?
C18 C19 C23 C22 176.0(4) . . . . ?
Fe2 C19 C23 C22 58.6(3) . . . . ?
C20 C19 C23 Fe2 -60.5(3) . . . . ?
C18 C19 C23 Fe2 117.4(4) . . . . ?
C19 C20 C21 C22 -0.1(6) . . . . ?
Fe2 C20 C21 C22 -59.7(4) . . . . ?
C19 C20 C21 Fe2 59.6(3) . . . . ?
C20 C21 C22 C23 -1.0(6) . . . . ?
Fe2 C21 C22 C23 -60.1(4) . . . . ?
C20 C21 C22 Fe2 59.1(4) . . . . ?
C19 C23 C22 C21 1.8(6) . . . . ?
Fe2 C23 C22 C21 59.9(4) . . . . ?
C19 C23 C22 Fe2 -58.1(3) . . . . ?
C25 C24 C28 C27 0.2(8) . . . . ?
Fe2 C24 C28 C27 60.9(5) . . . . ?
C25 C24 C28 Fe2 -60.6(4) . . . . ?
C26 C25 C24 C28 -0.4(7) . . . . ?
Fe2 C25 C24 C28 61.0(5) . . . . ?
C26 C25 C24 Fe2 -61.4(4) . . . . ?
C27 C26 C25 C24 0.4(7) . . . . ?
Fe2 C26 C25 C24 60.6(4) . . . . ?
C27 C26 C25 Fe2 -60.1(5) . . . . ?
C25 C26 C27 C28 -0.3(8) . . . . ?
Fe2 C26 C27 C28 -59.7(5) . . . . ?
C25 C26 C27 Fe2 59.3(4) . . . . ?
C26 C27 C28 C24 0.1(8) . . . . ?
Fe2 C27 C28 C24 -60.1(4) . . . . ?
C26 C27 C28 Fe2 60.2(5) . . . . ?
N11 C31 C32 N12 -6.7(6) . . . . ?
N12 C33 C34 C38 53.7(5) . . . . ?
N12 C33 C34 C35 -120.3(4) . . . . ?
N12 C33 C34 Fe3 146.9(3) . . . . ?
C35 C34 C38 C37 -0.6(5) . . . . ?
C33 C34 C38 C37 -175.6(4) . . . . ?
Fe3 C34 C38 C37 58.7(3) . . . . ?
C35 C34 C38 Fe3 -59.4(3) . . . . ?
C33 C34 C38 Fe3 125.6(4) . . . . ?
C36 C35 C34 C38 1.1(4) . . . . ?
Fe3 C35 C34 C38 59.7(3) . . . . ?
C36 C35 C34 C33 176.0(4) . . . . ?
Fe3 C35 C34 C33 -125.3(4) . . . . ?
C36 C35 C34 Fe3 -58.7(3) . . . . ?
C34 C35 C36 C37 -1.1(5) . . . . ?
Fe3 C35 C36 C37 -60.3(3) . . . . ?
C34 C35 C36 Fe3 59.2(3) . . . . ?
C35 C36 C37 C38 0.7(5) . . . . ?
Fe3 C36 C37 C38 -59.5(3) . . . . ?
C35 C36 C37 Fe3 60.3(3) . . . . ?
C34 C38 C37 C36 0.0(5) . . . . ?
Fe3 C38 C37 C36 59.0(3) . . . . ?
C34 C38 C37 Fe3 -59.1(3) . . . . ?
C41 C40 C39 C43 0.5(6) . . . . ?
Fe3 C40 C39 C43 59.7(3) . . . . ?
C41 C40 C39 Fe3 -59.1(4) . . . . ?
C39 C40 C41 C42 -0.3(6) . . . . ?
Fe3 C40 C41 C42 -58.9(4) . . . . ?
C39 C40 C41 Fe3 58.6(3) . . . . ?
C40 C41 C42 C43 0.0(7) . . . . ?
Fe3 C41 C42 C43 -59.3(4) . . . . ?
C40 C41 C42 Fe3 59.3(4) . . . . ?
C42 C43 C39 C40 -0.5(6) . . . . ?
Fe3 C43 C39 C40 -60.6(3) . . . . ?
C42 C43 C39 Fe3 60.1(4) . . . . ?
C39 C43 C42 C41 0.3(6) . . . . ?
Fe3 C43 C42 C41 60.0(4) . . . . ?
C39 C43 C42 Fe3 -59.7(4) . . . . ?
N14 C47 C46 N13 28.1(6) . . . . ?
C50 C49 C48 N14 98.7(5) . . . . ?
C53 C49 C48 N14 -82.2(6) . . . . ?
Fe4 C49 C48 N14 -172.1(3) . . . . ?
C53 C49 C50 C51 -0.7(5) . . . . ?
C48 C49 C50 C51 178.6(4) . . . . ?
Fe4 C49 C50 C51 59.8(3) . . . . ?
C53 C49 C50 Fe4 -60.4(3) . . . . ?
C48 C49 C50 Fe4 118.8(4) . . . . ?
C50 C49 C53 C52 1.1(6) . . . . ?
C48 C49 C53 C52 -178.2(4) . . . . ?
Fe4 C49 C53 C52 -59.1(4) . . . . ?
C50 C49 C53 Fe4 60.2(3) . . . . ?
C48 C49 C53 Fe4 -119.1(4) . . . . ?
C52 C51 C50 C49 0.0(6) . . . . ?
Fe4 C51 C50 C49 -59.9(3) . . . . ?
C52 C51 C50 Fe4 59.9(4) . . . . ?
C50 C51 C52 C53 0.7(7) . . . . ?
Fe4 C51 C52 C53 59.4(4) . . . . ?
C50 C51 C52 Fe4 -58.7(4) . . . . ?
C49 C53 C52 C51 -1.1(6) . . . . ?
Fe4 C53 C52 C51 -59.5(4) . . . . ?
C49 C53 C52 Fe4 58.4(4) . . . . ?
C55 C54 C58 C57 0.4(7) . . . . ?
Fe4 C54 C58 C57 60.4(4) . . . . ?
C55 C54 C58 Fe4 -60.0(5) . . . . ?
C56 C55 C54 C58 -0.2(8) . . . . ?
Fe4 C55 C54 C58 59.1(5) . . . . ?
C56 C55 C54 Fe4 -59.3(5) . . . . ?
C57 C56 C55 C54 -0.1(8) . . . . ?
Fe4 C56 C55 C54 59.7(5) . . . . ?
C57 C56 C55 Fe4 -59.8(4) . . . . ?
C58 C57 C56 C55 0.3(7) . . . . ?
Fe4 C57 C56 C55 60.6(5) . . . . ?
C58 C57 C56 Fe4 -60.3(4) . . . . ?
C56 C57 C58 C54 -0.4(7) . . . . ?
Fe4 C57 C58 C54 -61.9(4) . . . . ?
C56 C57 C58 Fe4 61.5(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        28.35
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         1.108
_refine_diff_density_min         -0.604
_refine_diff_density_rms         0.076
