# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_yg_wl_grid1120k
_database_code_depnum_ccdc_archive 'CCDC 2191810'
loop_
_audit_author_name
_audit_author_address
'Koen Robeyns'
;Universite catholique de Louvain
Belgium
;
_audit_update_record             
;
2022-07-21 deposited with the CCDC.	2022-09-08 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT023_yg_wl_grid1120k     
;
PROBLEM: Resolution (too) Low [sin(theta)/Lambda < 0.6]..       0.46 Ang-1
RESPONSE: The crystals were not stable, and contain large solvent cavities
a resolution limit of 1.10A was imposed during integration, beyond which 
data statistics were rather poor. 
;
_vrf_PLAT088_yg_wl_grid1120k     
;
PROBLEM: Poor Data / Parameter Ratio ....................       5.62 Note
RESPONSE: The combination of a large unit cell V=19515 and low resolution 
data results in a lower Data/parameter ratio.
;
_vrf_PLAT910_yg_wl_grid1120k     
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).        102 Note
RESPONSE: Diffraction data were recorded on a MAR345 diffratometer, with a
single rotation axis, due to the unstability of the crystals no second 
orientation could be recorded, leading to a lower completeness, also
at low theta angles 
;
_vrf_PLAT029_yg_wl_grid1120k     
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.949 Why?  
RESPONSE: Diffraction data were recorded on a MAR345 diffratometer, with a
single rotation axis, due to the unstability of the crystals no second 
orientation could be recorded, leading to a lower completeness, also
at low theta angles 
;
_vrf_PLAT260_yg_wl_grid1120k     
;
PROBLEM: Large Average Ueq of Residue Including     F2_30      0.332 Check 
RESPONSE: All anions and solvent molecules are highly mobile and probably
disordered, due to the low resolution data, these could not be refined over
multiple sites.
;
_vrf_PLAT341_yg_wl_grid1120k     
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02854 Ang.  
RESPONSE: The combination of a large unit cell V=19515 and low resolution 
data results in a lower Data/parameter ratio.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C156 H84 Fe4 N36 O24, 8(B F4), 3.64(C4 H8 O), C2 H3 N [+ solvent]'
_chemical_formula_sum            'C172.56 H116.12 B8 F32 Fe4 N37 O27.64'
_chemical_formula_weight         4067.97

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

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

_cell_length_a                   22.121(2)
_cell_length_b                   22.881(2)
_cell_length_c                   38.937(3)
_cell_angle_alpha                93.602(7)
_cell_angle_beta                 91.560(7)
_cell_angle_gamma                96.891(8)
_cell_volume                     19515(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    4815
_cell_measurement_theta_min      2.7270
_cell_measurement_theta_max      18.5530

_exptl_crystal_description       plate
_exptl_crystal_colour            'dark pink - red'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_F_000             8254
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    0.396
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.38256
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?



_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Incoatec microfocus source'
_diffrn_measurement_device_type  'MAR345 image plate'
_diffrn_measurement_method       
;
'120 images, ΔΦ 1.5° '
;
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            56550
_diffrn_reflns_av_unetI/netI     0.1650
_diffrn_reflns_av_R_equivalents  0.1112
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         2.815
_diffrn_reflns_theta_max         19.027
_diffrn_reflns_theta_full        19.027
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measured_fraction_theta_full 0.949
_diffrn_reflns_Laue_measured_fraction_max 0.949
_diffrn_reflns_Laue_measured_fraction_full 0.949
_diffrn_reflns_point_group_measured_fraction_max 0.949
_diffrn_reflns_point_group_measured_fraction_full 0.949
_reflns_number_total             29971
_reflns_number_gt                14820
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       MAR
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_atom_sites_solution_primary     'dual space'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'MERCURY (Macrae et al., 2008)'
_computing_publication_material  
;
'MERCURY (Macrae et al., 2008), Platon (Spek, 2009)'
;

_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0800P)²+100.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         29971
_refine_ls_number_parameters     5333
_refine_ls_number_restraints     16405
_refine_ls_R_factor_all          0.2296
_refine_ls_R_factor_gt           0.1377
_refine_ls_wR_factor_ref         0.3247
_refine_ls_wR_factor_gt          0.2880
_refine_ls_goodness_of_fit_ref   1.422
_refine_ls_restrained_S_all      1.234
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 0.85039(12) 0.06218(12) 0.63247(7) 0.0499(9) Uani 1 1 d . . . . .
Fe2 Fe 0.68046(12) 0.25698(13) 0.35323(7) 0.0546(9) Uani 1 1 d . . . . .
Fe3 Fe 0.30815(12) 0.18818(12) 0.59628(7) 0.0521(9) Uani 1 1 d . . . . .
Fe4 Fe 0.75538(13) 0.59889(13) 0.62713(8) 0.0584(9) Uani 1 1 d . . . . .
N1_1 N 0.2674(6) 0.2296(6) 0.6333(3) 0.055(4) Uani 1 1 d D U . . .
C2_1 C 0.2107(7) 0.2471(8) 0.6328(4) 0.066(5) Uani 1 1 d D U . . .
H2_1 H 0.185833 0.239615 0.612391 0.080 Uiso 1 1 calc R U . . .
C3_1 C 0.1876(7) 0.2765(8) 0.6622(4) 0.070(6) Uani 1 1 d D U . . .
H3_1 H 0.147590 0.287546 0.661747 0.084 Uiso 1 1 calc R U . . .
C4_1 C 0.2252(8) 0.2883(9) 0.6909(4) 0.077(6) Uani 1 1 d D U . . .
H4_1 H 0.210803 0.308291 0.710606 0.093 Uiso 1 1 calc R U . . .
C5_1 C 0.2844(7) 0.2718(8) 0.6923(4) 0.065(5) Uani 1 1 d D U . . .
H5_1 H 0.310170 0.279151 0.712433 0.078 Uiso 1 1 calc R U . . .
C6_1 C 0.3027(7) 0.2439(8) 0.6623(4) 0.054(5) Uani 1 1 d D U . . .
C7_1 C 0.3626(6) 0.2237(7) 0.6607(4) 0.055(5) Uani 1 1 d D U . . .
H7_1 H 0.389889 0.227789 0.680171 0.066 Uiso 1 1 calc R U . . .
N8_1 N 0.3770(5) 0.1997(6) 0.6310(3) 0.052(4) Uani 1 1 d D U . . .
N9_1 N 0.4349(5) 0.1796(5) 0.6309(3) 0.049(4) Uani 1 1 d D U . . .
C10_1 C 0.4830(6) 0.2171(6) 0.6175(4) 0.050(4) Uani 1 1 d D U . . .
O11_1 O 0.4740(5) 0.2658(5) 0.6089(3) 0.059(4) Uani 1 1 d D U . . .
C12_1 C 0.5396(6) 0.1915(6) 0.6133(4) 0.042(4) Uani 1 1 d D U . . .
C13_1 C 0.5484(6) 0.1372(6) 0.6270(4) 0.044(4) Uani 1 1 d D U . . .
C14_1 C 0.4994(6) 0.1041(6) 0.6431(4) 0.048(4) Uani 1 1 d D U . . .
C15_1 C 0.4403(6) 0.1262(6) 0.6469(4) 0.052(5) Uani 1 1 d D U . . .
O16_1 O 0.3968(5) 0.1007(5) 0.6602(3) 0.061(4) Uani 1 1 d D U . . .
C17_1 C 0.5871(6) 0.2212(6) 0.5962(4) 0.048(4) Uani 1 1 d D U . . .
H17_1 H 0.581880 0.258501 0.587882 0.058 Uiso 1 1 calc R U . . .
C18_1 C 0.5087(6) 0.0512(6) 0.6557(4) 0.051(5) Uani 1 1 d D U . . .
H18_1 H 0.476674 0.030034 0.667270 0.061 Uiso 1 1 calc R U . . .
N21_1 N 0.8688(6) -0.0067(6) 0.6029(3) 0.051(4) Uani 1 1 d D U . . .
C22_1 C 0.9229(7) -0.0296(8) 0.5998(5) 0.064(5) Uani 1 1 d D U . . .
H22_1 H 0.957120 -0.013193 0.614016 0.077 Uiso 1 1 calc R U . . .
C23_1 C 0.9283(8) -0.0766(8) 0.5762(5) 0.070(6) Uani 1 1 d D U . . .
H23_1 H 0.966140 -0.092117 0.574488 0.084 Uiso 1 1 calc R U . . .
C24_1 C 0.8796(8) -0.1007(8) 0.5554(5) 0.072(6) Uani 1 1 d D U . . .
H24_1 H 0.883658 -0.133038 0.539487 0.087 Uiso 1 1 calc R U . . .
C25_1 C 0.8224(7) -0.0772(7) 0.5577(4) 0.063(5) Uani 1 1 d D U . . .
H25_1 H 0.787888 -0.092260 0.543323 0.075 Uiso 1 1 calc R U . . .
C26_1 C 0.8213(7) -0.0309(7) 0.5823(4) 0.055(5) Uani 1 1 d D U . . .
C27_1 C 0.7645(7) -0.0040(7) 0.5851(4) 0.055(5) Uani 1 1 d D U . . .
H27_1 H 0.727760 -0.018695 0.572649 0.066 Uiso 1 1 calc R U . . .
N28_1 N 0.7706(5) 0.0436(5) 0.6073(3) 0.044(4) Uani 1 1 d D U . . .
N29_1 N 0.7136(5) 0.0667(5) 0.6119(3) 0.042(3) Uani 1 1 d D U . . .
C30_1 C 0.6687(6) 0.0330(7) 0.6325(4) 0.052(4) Uani 1 1 d D U . . .
O31_1 O 0.6816(5) -0.0126(5) 0.6425(3) 0.069(4) Uani 1 1 d D U . . .
C32_1 C 0.6123(6) 0.0586(6) 0.6354(4) 0.049(4) Uani 1 1 d D U . . .
C33_1 C 0.6040(6) 0.1132(6) 0.6224(4) 0.043(4) Uani 1 1 d D U . . .
C34_1 C 0.6503(6) 0.1449(6) 0.6035(4) 0.040(4) Uani 1 1 d D U . . .
C35_1 C 0.7074(6) 0.1195(6) 0.5975(4) 0.045(4) Uani 1 1 d D U . . .
O36_1 O 0.7498(5) 0.1450(5) 0.5814(3) 0.060(4) Uani 1 1 d D U . . .
C37_1 C 0.5653(6) 0.0266(6) 0.6520(4) 0.054(5) Uani 1 1 d D U . . .
H37_1 H 0.570490 -0.010411 0.660643 0.065 Uiso 1 1 calc R U . . .
C38_1 C 0.6420(6) 0.1988(6) 0.5909(4) 0.048(4) Uani 1 1 d D U . . .
H38_1 H 0.673287 0.220046 0.578877 0.057 Uiso 1 1 calc R U . . .
N1_2 N 0.9341(7) 0.0769(6) 0.6538(4) 0.052(4) Uani 1 1 d . U . . .
C2_2 C 0.9580(9) 0.0571(9) 0.6829(5) 0.065(5) Uani 1 1 d . U . . .
H2_2 H 0.930949 0.032781 0.696046 0.078 Uiso 1 1 calc R U . . .
C3_2 C 1.0191(10) 0.0692(9) 0.6954(5) 0.070(6) Uani 1 1 d . U . . .
H3_2 H 1.034398 0.049935 0.714085 0.084 Uiso 1 1 calc R U . . .
C4_2 C 1.0543(10) 0.1102(9) 0.6789(5) 0.071(6) Uani 1 1 d . U . . .
H4_2 H 1.093326 0.125227 0.688679 0.085 Uiso 1 1 calc R U . . .
C5_2 C 1.0361(9) 0.1306(9) 0.6488(5) 0.070(5) Uani 1 1 d . U . . .
H5_2 H 1.063275 0.154864 0.635721 0.084 Uiso 1 1 calc R U . . .
C6_2 C 0.9746(9) 0.1140(9) 0.6380(5) 0.057(5) Uani 1 1 d . U . . .
C7_2 C 0.9498(9) 0.1364(9) 0.6072(5) 0.068(5) Uani 1 1 d . U . . .
H7_2 H 0.973534 0.162988 0.593613 0.081 Uiso 1 1 calc R U . . .
N8_2 N 0.8931(7) 0.1175(6) 0.5994(4) 0.054(4) Uani 1 1 d . U . . .
N9_2 N 0.8723(6) 0.1389(7) 0.5664(4) 0.051(4) Uani 1 1 d . U . . .
C10_2 C 0.8630(8) 0.1996(9) 0.5688(5) 0.050(5) Uani 1 1 d . U . . .
O11_2 O 0.8685(6) 0.2295(5) 0.5953(3) 0.063(4) Uani 1 1 d . U . . .
C12_2 C 0.8429(8) 0.2185(8) 0.5347(5) 0.042(4) Uani 1 1 d . U . . .
C13_2 C 0.8340(8) 0.1817(8) 0.5042(5) 0.045(4) Uani 1 1 d . U . . .
C14_2 C 0.8441(8) 0.1215(8) 0.5063(5) 0.045(4) Uani 1 1 d . U . . .
C15_2 C 0.8664(9) 0.0993(9) 0.5370(5) 0.052(5) Uani 1 1 d . U . . .
O16_2 O 0.8814(6) 0.0493(6) 0.5400(3) 0.067(4) Uani 1 1 d . U . . .
C17_2 C 0.8375(8) 0.2799(8) 0.5329(5) 0.053(5) Uani 1 1 d . U . . .
H17_2 H 0.844652 0.306107 0.552916 0.063 Uiso 1 1 calc R U . . .
C18_2 C 0.8370(8) 0.0853(8) 0.4767(5) 0.050(4) Uani 1 1 d . U . . .
H18_2 H 0.843126 0.045077 0.478027 0.060 Uiso 1 1 calc R U . . .
N21_2 N 0.7243(7) 0.3201(7) 0.3281(4) 0.057(4) Uani 1 1 d . U . . .
C22_2 C 0.7044(10) 0.3489(9) 0.3017(5) 0.071(6) Uani 1 1 d . U . . .
H22_2 H 0.662475 0.341684 0.294751 0.085 Uiso 1 1 calc R U . . .
C23_2 C 0.7425(10) 0.3890(10) 0.2840(6) 0.079(6) Uani 1 1 d . U . . .
H23_2 H 0.726359 0.408715 0.265745 0.095 Uiso 1 1 calc R U . . .
C24_2 C 0.8041(11) 0.4001(10) 0.2933(6) 0.087(6) Uani 1 1 d . U . . .
H24_2 H 0.831072 0.425510 0.280649 0.105 Uiso 1 1 calc R U . . .
C25_2 C 0.8257(9) 0.3726(9) 0.3220(5) 0.065(5) Uani 1 1 d . U . . .
H25_2 H 0.866547 0.382063 0.330447 0.078 Uiso 1 1 calc R U . . .
C26_2 C 0.7860(9) 0.3316(9) 0.3374(5) 0.057(5) Uani 1 1 d . U . . .
C27_2 C 0.8045(9) 0.3038(8) 0.3673(5) 0.055(5) Uani 1 1 d . U . . .
H27_2 H 0.844259 0.311966 0.377626 0.066 Uiso 1 1 calc R U . . .
N28_2 N 0.7617(6) 0.2658(6) 0.3793(4) 0.041(4) Uani 1 1 d . U . . .
N29_2 N 0.7815(7) 0.2455(7) 0.4107(4) 0.050(4) Uani 1 1 d . U . . .
C30_2 C 0.7893(9) 0.1818(9) 0.4097(5) 0.054(5) Uani 1 1 d . U . . .
O31_2 O 0.7813(5) 0.1530(5) 0.3826(3) 0.051(3) Uani 1 1 d . U . . .
C32_2 C 0.8094(8) 0.1640(8) 0.4433(5) 0.044(4) Uani 1 1 d . U . . .
C33_2 C 0.8173(8) 0.2004(8) 0.4737(5) 0.040(4) Uani 1 1 d . U . . .
C34_2 C 0.8106(8) 0.2623(8) 0.4721(5) 0.046(4) Uani 1 1 d . U . . .
C35_2 C 0.7969(9) 0.2840(9) 0.4386(5) 0.051(5) Uani 1 1 d . U . . .
O36_2 O 0.7967(5) 0.3382(5) 0.4353(3) 0.047(3) Uani 1 1 d . U . . .
C37_2 C 0.8208(8) 0.1051(8) 0.4440(5) 0.051(5) Uani 1 1 d . U . . .
H37_2 H 0.817787 0.079519 0.423718 0.061 Uiso 1 1 calc R U . . .
C38_2 C 0.8213(8) 0.3009(8) 0.5012(5) 0.047(4) Uani 1 1 d . U . . .
H38_2 H 0.817764 0.341650 0.499620 0.057 Uiso 1 1 calc R U . . .
N1_3 N 0.8225(6) 0.0092(7) 0.6701(4) 0.050(4) Uani 1 1 d . U . . .
C2_3 C 0.8180(9) -0.0499(9) 0.6697(6) 0.065(5) Uani 1 1 d . U . . .
H2_3 H 0.825309 -0.072685 0.649343 0.078 Uiso 1 1 calc R U . . .
C3_3 C 0.8028(9) -0.0762(10) 0.6989(6) 0.071(5) Uani 1 1 d . U . . .
H3_3 H 0.800868 -0.117979 0.698477 0.085 Uiso 1 1 calc R U . . .
C4_3 C 0.7899(9) -0.0467(9) 0.7295(6) 0.072(5) Uani 1 1 d . U . . .
H4_3 H 0.780732 -0.067296 0.749483 0.086 Uiso 1 1 calc R U . . .
C5_3 C 0.7909(9) 0.0149(9) 0.7299(5) 0.069(5) Uani 1 1 d . U . . .
H5_3 H 0.780508 0.037605 0.749682 0.083 Uiso 1 1 calc R U . . .
C6_3 C 0.8080(9) 0.0408(9) 0.6997(5) 0.059(5) Uani 1 1 d . U . . .
C7_3 C 0.8102(8) 0.1029(9) 0.6960(5) 0.056(5) Uani 1 1 d . U . . .
H7_3 H 0.802352 0.129607 0.714604 0.067 Uiso 1 1 calc R U . . .
N8_3 N 0.8238(7) 0.1209(7) 0.6653(4) 0.054(4) Uani 1 1 d . U . . .
N9_3 N 0.8143(7) 0.1833(7) 0.6648(4) 0.053(4) Uani 1 1 d . U . . .
C10_3 C 0.7516(9) 0.1944(9) 0.6679(5) 0.044(4) Uani 1 1 d . U . . .
O11_3 O 0.7117(6) 0.1542(6) 0.6721(3) 0.056(4) Uani 1 1 d . U . . .
C12_3 C 0.7425(9) 0.2571(8) 0.6651(4) 0.046(4) Uani 1 1 d . U . . .
C13_3 C 0.7917(9) 0.3016(8) 0.6623(5) 0.051(4) Uani 1 1 d . U . . .
C14_3 C 0.8528(9) 0.2862(9) 0.6626(5) 0.061(5) Uani 1 1 d . U . . .
C15_3 C 0.8663(10) 0.2257(9) 0.6644(5) 0.057(5) Uani 1 1 d . U . . .
O16_3 O 0.9177(6) 0.2109(6) 0.6694(3) 0.071(4) Uani 1 1 d . U . . .
C17_3 C 0.6828(9) 0.2696(8) 0.6656(4) 0.054(5) Uani 1 1 d . U . . .
H17_3 H 0.650065 0.239510 0.668285 0.065 Uiso 1 1 calc R U . . .
C18_3 C 0.9020(10) 0.3349(9) 0.6595(5) 0.068(5) Uani 1 1 d . U . . .
H18_3 H 0.943205 0.327240 0.658917 0.082 Uiso 1 1 calc R U . . .
N21_3 N 0.7172(7) 0.6440(7) 0.6631(4) 0.055(4) Uani 1 1 d . U . . .
C22_3 C 0.7011(9) 0.6971(9) 0.6642(5) 0.067(5) Uani 1 1 d . U . . .
H22_3 H 0.706611 0.718526 0.644179 0.081 Uiso 1 1 calc R U . . .
C23_3 C 0.6750(9) 0.7263(10) 0.6940(6) 0.077(6) Uani 1 1 d . U . . .
H23_3 H 0.665419 0.765649 0.693538 0.093 Uiso 1 1 calc R U . . .
C24_3 C 0.6649(10) 0.6946(10) 0.7228(6) 0.083(6) Uani 1 1 d . U . . .
H24_3 H 0.647897 0.711515 0.742662 0.100 Uiso 1 1 calc R U . . .
C25_3 C 0.6805(10) 0.6361(10) 0.7220(6) 0.080(6) Uani 1 1 d . U . . .
H25_3 H 0.674242 0.613230 0.741378 0.096 Uiso 1 1 calc R U . . .
C26_3 C 0.7044(9) 0.6136(9) 0.6932(6) 0.062(5) Uani 1 1 d . U . . .
C27_3 C 0.7241(9) 0.5573(9) 0.6902(6) 0.064(5) Uani 1 1 d . U . . .
H27_3 H 0.722398 0.533603 0.709409 0.077 Uiso 1 1 calc R U . . .
N28_3 N 0.7443(7) 0.5377(7) 0.6618(4) 0.058(4) Uani 1 1 d . U . . .
N29_3 N 0.7553(8) 0.4758(7) 0.6609(4) 0.056(4) Uani 1 1 d . U . . .
C30_3 C 0.8152(11) 0.4663(10) 0.6626(6) 0.074(5) Uani 1 1 d . U . . .
O31_3 O 0.8596(7) 0.5083(6) 0.6631(4) 0.105(5) Uani 1 1 d . U . . .
C32_3 C 0.8297(10) 0.4044(9) 0.6598(5) 0.067(5) Uani 1 1 d . U . . .
C33_3 C 0.7789(9) 0.3592(9) 0.6610(5) 0.056(4) Uani 1 1 d . U . . .
C34_3 C 0.7193(9) 0.3733(8) 0.6596(5) 0.049(4) Uani 1 1 d . U . . .
C35_3 C 0.7047(10) 0.4348(9) 0.6572(5) 0.054(5) Uani 1 1 d . U . . .
O36_3 O 0.6546(6) 0.4487(5) 0.6535(3) 0.065(4) Uani 1 1 d . U . . .
C37_3 C 0.8882(10) 0.3900(10) 0.6575(5) 0.080(5) Uani 1 1 d . U . . .
H37_3 H 0.920225 0.420617 0.654451 0.096 Uiso 1 1 calc R U . . .
C38_3 C 0.6719(9) 0.3299(8) 0.6620(5) 0.057(5) Uani 1 1 d . U . . .
H38_3 H 0.631258 0.339528 0.661311 0.069 Uiso 1 1 calc R U . . .
N1_4 N 0.2803(6) 0.1085(6) 0.6137(4) 0.043(4) Uani 1 1 d . U . . .
C2_4 C 0.2489(9) 0.0989(9) 0.6427(5) 0.063(5) Uani 1 1 d . U . . .
H2_4 H 0.240538 0.131596 0.657309 0.075 Uiso 1 1 calc R U . . .
C3_4 C 0.2284(9) 0.0409(9) 0.6513(5) 0.063(5) Uani 1 1 d . U . . .
H3_4 H 0.203501 0.034033 0.670524 0.076 Uiso 1 1 calc R U . . .
C4_4 C 0.2458(9) -0.0053(9) 0.6310(5) 0.064(5) Uani 1 1 d . U . . .
H4_4 H 0.233489 -0.044447 0.637022 0.077 Uiso 1 1 calc R U . . .
C5_4 C 0.2807(9) 0.0028(9) 0.6021(5) 0.059(5) Uani 1 1 d . U . . .
H5_4 H 0.291135 -0.029220 0.587628 0.071 Uiso 1 1 calc R U . . .
C6_4 C 0.2984(9) 0.0599(9) 0.5962(5) 0.055(5) Uani 1 1 d . U . . .
C7_4 C 0.3344(8) 0.0776(9) 0.5671(5) 0.053(5) Uani 1 1 d . U . . .
H7_4 H 0.347870 0.048714 0.551443 0.063 Uiso 1 1 calc R U . . .
N8_4 N 0.3479(6) 0.1339(7) 0.5627(4) 0.044(4) Uani 1 1 d . U . . .
N9_4 N 0.3884(6) 0.1453(6) 0.5348(4) 0.043(3) Uani 1 1 d . U . . .
C10_4 C 0.3660(9) 0.1623(8) 0.5043(5) 0.043(4) Uani 1 1 d . U . . .
O11_4 O 0.3102(5) 0.1691(5) 0.5007(3) 0.051(3) Uani 1 1 d . U . . .
C12_4 C 0.4080(8) 0.1702(7) 0.4754(5) 0.043(4) Uani 1 1 d . U . . .
C13_4 C 0.4705(8) 0.1601(8) 0.4815(5) 0.044(4) Uani 1 1 d . U . . .
C14_4 C 0.4911(9) 0.1434(8) 0.5124(5) 0.046(4) Uani 1 1 d . U . . .
C15_4 C 0.4496(9) 0.1284(8) 0.5397(5) 0.046(4) Uani 1 1 d . U . . .
O16_4 O 0.4615(5) 0.1112(5) 0.5676(3) 0.052(3) Uani 1 1 d . U . . .
C17_4 C 0.3907(9) 0.1799(7) 0.4437(5) 0.049(4) Uani 1 1 d . U . . .
H17_4 H 0.348874 0.183796 0.439513 0.059 Uiso 1 1 calc R U . . .
C18_4 C 0.5531(8) 0.1355(7) 0.5188(5) 0.041(4) Uani 1 1 d . U . . .
H18_4 H 0.566655 0.125317 0.540711 0.050 Uiso 1 1 calc R U . . .
N21_4 N 0.7108(7) 0.1945(7) 0.3232(4) 0.056(4) Uani 1 1 d . U . . .
C22_4 C 0.7515(9) 0.1988(9) 0.2980(5) 0.061(5) Uani 1 1 d . U . . .
H22_4 H 0.768308 0.237031 0.292321 0.073 Uiso 1 1 calc R U . . .
C23_4 C 0.7709(9) 0.1486(9) 0.2792(5) 0.066(5) Uani 1 1 d . U . . .
H23_4 H 0.802054 0.152630 0.262881 0.079 Uiso 1 1 calc R U . . .
C24_4 C 0.7416(9) 0.0942(9) 0.2863(5) 0.068(5) Uani 1 1 d . U . . .
H24_4 H 0.752122 0.060007 0.273783 0.081 Uiso 1 1 calc R U . . .
C25_4 C 0.6973(9) 0.0872(9) 0.3110(5) 0.058(5) Uani 1 1 d . U . . .
H25_4 H 0.677631 0.049552 0.315864 0.070 Uiso 1 1 calc R U . . .
C26_4 C 0.6840(9) 0.1381(9) 0.3276(5) 0.053(5) Uani 1 1 d . U . . .
C27_4 C 0.6440(9) 0.1363(9) 0.3578(5) 0.063(5) Uani 1 1 d . U . . .
H27_4 H 0.625712 0.099993 0.365555 0.075 Uiso 1 1 calc R U . . .
N28_4 N 0.6357(7) 0.1845(7) 0.3723(4) 0.047(4) Uani 1 1 d . U . . .
N29_4 N 0.5966(7) 0.1776(6) 0.4005(4) 0.044(3) Uani 1 1 d . U . . .
C30_4 C 0.6178(9) 0.1658(7) 0.4321(5) 0.040(4) Uani 1 1 d . U . . .
O31_4 O 0.6722(5) 0.1560(5) 0.4346(3) 0.048(3) Uani 1 1 d . U . . .
C32_4 C 0.5767(8) 0.1590(8) 0.4607(5) 0.043(4) Uani 1 1 d . U . . .
C33_4 C 0.5118(8) 0.1671(8) 0.4546(5) 0.045(4) Uani 1 1 d . U . . .
C34_4 C 0.4926(8) 0.1785(7) 0.4218(5) 0.042(4) Uani 1 1 d . U . . .
C35_4 C 0.5321(9) 0.1842(8) 0.3934(5) 0.050(4) Uani 1 1 d . U . . .
O36_4 O 0.5160(5) 0.1884(5) 0.3627(3) 0.056(4) Uani 1 1 d . U . . .
C37_4 C 0.5935(8) 0.1430(7) 0.4920(5) 0.046(4) Uani 1 1 d . U . . .
H37_4 H 0.634680 0.136513 0.496022 0.055 Uiso 1 1 calc R U . . .
C38_4 C 0.4291(8) 0.1850(7) 0.4160(5) 0.050(4) Uani 1 1 d . U . . .
H38_4 H 0.413876 0.192614 0.393822 0.060 Uiso 1 1 calc R U . . .
N1_5 N 0.2350(7) 0.1845(7) 0.5655(4) 0.051(4) Uani 1 1 d . U . . .
C2_5 C 0.1859(9) 0.1388(9) 0.5608(5) 0.064(5) Uani 1 1 d . U . . .
H2_5 H 0.189131 0.102482 0.570931 0.077 Uiso 1 1 calc R U . . .
C3_5 C 0.1336(10) 0.1452(10) 0.5421(5) 0.074(6) Uani 1 1 d . U . . .
H3_5 H 0.099962 0.115006 0.540091 0.089 Uiso 1 1 calc R U . . .
C4_5 C 0.1326(10) 0.1969(10) 0.5267(5) 0.075(6) Uani 1 1 d . U . . .
H4_5 H 0.096488 0.201841 0.514041 0.090 Uiso 1 1 calc R U . . .
C5_5 C 0.1799(9) 0.2431(9) 0.5280(5) 0.069(5) Uani 1 1 d . U . . .
H5_5 H 0.177586 0.277826 0.516099 0.083 Uiso 1 1 calc R U . . .
C6_5 C 0.2318(9) 0.2343(9) 0.5485(5) 0.057(5) Uani 1 1 d . U . . .
C7_5 C 0.2836(9) 0.2783(9) 0.5538(5) 0.058(5) Uani 1 1 d . U . . .
H7_5 H 0.286952 0.313957 0.542374 0.070 Uiso 1 1 calc R U . . .
N8_5 N 0.3259(7) 0.2662(7) 0.5753(4) 0.058(4) Uani 1 1 d . U . . .
N9_5 N 0.3768(7) 0.3107(7) 0.5783(4) 0.057(4) Uani 1 1 d . U . . .
C10_5 C 0.3760(10) 0.3488(9) 0.6087(6) 0.063(5) Uani 1 1 d . U . . .
O11_5 O 0.3340(7) 0.3471(6) 0.6274(4) 0.084(5) Uani 1 1 d . U . . .
C12_5 C 0.4324(9) 0.3938(9) 0.6138(5) 0.057(5) Uani 1 1 d . U . . .
C13_5 C 0.4767(9) 0.3978(8) 0.5883(5) 0.053(4) Uani 1 1 d . U . . .
C14_5 C 0.4730(9) 0.3585(8) 0.5585(5) 0.051(4) Uani 1 1 d . U . . .
C15_5 C 0.4220(10) 0.3096(9) 0.5540(6) 0.058(5) Uani 1 1 d . U . . .
O16_5 O 0.4165(6) 0.2733(6) 0.5300(3) 0.067(4) Uani 1 1 d . U . . .
C17_5 C 0.4370(9) 0.4334(9) 0.6430(5) 0.070(5) Uani 1 1 d . U . . .
H17_5 H 0.407206 0.430334 0.660118 0.084 Uiso 1 1 calc R U . . .
C18_5 C 0.5163(8) 0.3634(8) 0.5337(5) 0.052(5) Uani 1 1 d . U . . .
H18_5 H 0.513467 0.335400 0.514436 0.063 Uiso 1 1 calc R U . . .
N21_5 N 0.7620(7) 0.6666(6) 0.5975(4) 0.058(4) Uani 1 1 d . U . . .
C22_5 C 0.8102(10) 0.7116(9) 0.5977(6) 0.072(6) Uani 1 1 d . U . . .
H22_5 H 0.842723 0.713731 0.614330 0.086 Uiso 1 1 calc R U . . .
C23_5 C 0.8103(10) 0.7530(9) 0.5737(6) 0.078(6) Uani 1 1 d . U . . .
H23_5 H 0.845140 0.781218 0.572043 0.094 Uiso 1 1 calc R U . . .
C24_5 C 0.7590(9) 0.7539(9) 0.5512(5) 0.066(5) Uani 1 1 d . U . . .
H24_5 H 0.757737 0.784400 0.535843 0.079 Uiso 1 1 calc R U . . .
C25_5 C 0.7107(10) 0.7096(9) 0.5522(5) 0.068(5) Uani 1 1 d . U . . .
H25_5 H 0.676711 0.707737 0.536543 0.082 Uiso 1 1 calc R U . . .
C26_5 C 0.7127(9) 0.6684(8) 0.5762(5) 0.053(5) Uani 1 1 d . U . . .
C27_5 C 0.6640(9) 0.6203(8) 0.5789(5) 0.049(5) Uani 1 1 d . U . . .
H27_5 H 0.627144 0.616402 0.565390 0.059 Uiso 1 1 calc R U . . .
N28_5 N 0.6752(7) 0.5837(7) 0.6010(4) 0.054(4) Uani 1 1 d . U . . .
N29_5 N 0.6264(7) 0.5338(7) 0.5997(4) 0.055(4) Uani 1 1 d . U . . .
C30_5 C 0.6209(9) 0.4992(9) 0.5675(6) 0.054(5) Uani 1 1 d . U . . .
O31_5 O 0.6532(6) 0.5103(6) 0.5437(3) 0.062(4) Uani 1 1 d . U . . .
C32_5 C 0.5698(8) 0.4470(8) 0.5660(5) 0.048(4) Uani 1 1 d . U . . .
C33_5 C 0.5289(9) 0.4432(8) 0.5925(5) 0.048(4) Uani 1 1 d . U . . .
C34_5 C 0.5332(9) 0.4841(8) 0.6222(5) 0.054(4) Uani 1 1 d . U . . .
C35_5 C 0.5855(10) 0.5343(9) 0.6259(6) 0.059(5) Uani 1 1 d . U . . .
O36_5 O 0.5903(5) 0.5677(6) 0.6506(3) 0.057(4) Uani 1 1 d . U . . .
C37_5 C 0.5644(8) 0.4092(8) 0.5366(5) 0.049(4) Uani 1 1 d . U . . .
H37_5 H 0.592648 0.414374 0.518777 0.058 Uiso 1 1 calc R U . . .
C38_5 C 0.4881(9) 0.4790(9) 0.6462(5) 0.063(5) Uani 1 1 d . U . . .
H38_5 H 0.490939 0.506729 0.665562 0.076 Uiso 1 1 calc R U . . .
N1_6 N 0.6043(6) 0.2614(6) 0.3254(4) 0.043(4) Uani 1 1 d . U . . .
C2_6 C 0.5858(9) 0.2273(9) 0.2965(5) 0.060(5) Uani 1 1 d . U . . .
H2_6 H 0.610083 0.198754 0.287587 0.072 Uiso 1 1 calc R U . . .
C3_6 C 0.5309(9) 0.2344(9) 0.2800(5) 0.063(5) Uani 1 1 d . U . . .
H3_6 H 0.517104 0.208950 0.260427 0.076 Uiso 1 1 calc R U . . .
C4_6 C 0.4952(10) 0.2779(9) 0.2913(5) 0.071(6) Uani 1 1 d . U . . .
H4_6 H 0.459269 0.284357 0.278956 0.085 Uiso 1 1 calc R U . . .
C5_6 C 0.5154(8) 0.3115(8) 0.3219(5) 0.056(5) Uani 1 1 d . U . . .
H5_6 H 0.491186 0.339189 0.331786 0.067 Uiso 1 1 calc R U . . .
C6_6 C 0.5706(9) 0.3040(8) 0.3373(5) 0.051(5) Uani 1 1 d . U . . .
C7_6 C 0.5930(8) 0.3359(8) 0.3691(5) 0.050(5) Uani 1 1 d . U . . .
H7_6 H 0.573962 0.366593 0.380298 0.060 Uiso 1 1 calc R U . . .
N8_6 N 0.6439(7) 0.3169(6) 0.3806(4) 0.049(4) Uani 1 1 d . U . . .
N9_6 N 0.6681(7) 0.3527(7) 0.4109(4) 0.053(4) Uani 1 1 d . U . . .
C10_6 C 0.6624(9) 0.3294(10) 0.4419(5) 0.055(5) Uani 1 1 d . U . . .
O11_6 O 0.6348(6) 0.2785(6) 0.4435(3) 0.065(4) Uani 1 1 d . U . . .
C12_6 C 0.6879(8) 0.3624(9) 0.4741(5) 0.052(4) Uani 1 1 d . U . . .
C13_6 C 0.7161(9) 0.4191(9) 0.4708(5) 0.054(4) Uani 1 1 d . U . . .
C14_6 C 0.7216(8) 0.4455(9) 0.4394(5) 0.054(4) Uani 1 1 d . U . . .
C15_6 C 0.6977(9) 0.4124(9) 0.4066(6) 0.060(5) Uani 1 1 d . U . . .
O16_6 O 0.7022(6) 0.4279(6) 0.3777(3) 0.068(4) Uani 1 1 d . U . . .
C17_6 C 0.6839(8) 0.3384(9) 0.5052(5) 0.057(5) Uani 1 1 d . U . . .
H17_6 H 0.664106 0.299545 0.506943 0.069 Uiso 1 1 calc R U . . .
C18_6 C 0.7499(9) 0.5034(9) 0.4363(5) 0.067(5) Uani 1 1 d . U . . .
H18_6 H 0.753766 0.519304 0.414430 0.080 Uiso 1 1 calc R U . . .
N21_6 N 0.8386(8) 0.6238(7) 0.6457(5) 0.074(5) Uani 1 1 d . U . . .
C22_6 C 0.8549(10) 0.6608(9) 0.6752(6) 0.083(6) Uani 1 1 d . U . . .
H22_6 H 0.824087 0.673953 0.689205 0.099 Uiso 1 1 calc R U . . .
C23_6 C 0.9183(11) 0.6792(10) 0.6846(6) 0.091(6) Uani 1 1 d . U . . .
H23_6 H 0.930127 0.702799 0.705142 0.109 Uiso 1 1 calc R U . . .
C24_6 C 0.9615(12) 0.6606(11) 0.6619(6) 0.102(7) Uani 1 1 d . U . . .
H24_6 H 1.003179 0.673905 0.667362 0.123 Uiso 1 1 calc R U . . .
C25_6 C 0.9478(10) 0.6239(10) 0.6320(6) 0.091(6) Uani 1 1 d . U . . .
H25_6 H 0.978016 0.612343 0.617019 0.109 Uiso 1 1 calc R U . . .
C26_6 C 0.8835(11) 0.6052(10) 0.6260(6) 0.081(6) Uani 1 1 d . U . . .
C27_6 C 0.8616(10) 0.5674(9) 0.5955(6) 0.079(6) Uani 1 1 d . U . . .
H27_6 H 0.887697 0.552712 0.578925 0.095 Uiso 1 1 calc R U . . .
N28_6 N 0.8023(8) 0.5559(7) 0.5935(4) 0.067(4) Uani 1 1 d . U . . .
N29_6 N 0.7838(7) 0.5221(8) 0.5613(4) 0.063(4) Uani 1 1 d . U . . .
C30_6 C 0.7910(10) 0.5510(10) 0.5317(6) 0.062(5) Uani 1 1 d . U . . .
O31_6 O 0.8131(6) 0.6025(7) 0.5301(3) 0.075(4) Uani 1 1 d . U . . .
C32_6 C 0.7679(8) 0.5155(9) 0.4987(5) 0.056(4) Uani 1 1 d . U . . .
C33_6 C 0.7400(8) 0.4540(9) 0.5008(5) 0.055(4) Uani 1 1 d . U . . .
C34_6 C 0.7382(9) 0.4315(9) 0.5333(5) 0.059(4) Uani 1 1 d . U . . .
C35_6 C 0.7622(10) 0.4635(10) 0.5658(6) 0.064(5) Uani 1 1 d . U . . .
O36_6 O 0.7612(6) 0.4442(6) 0.5934(4) 0.079(4) Uani 1 1 d . U . . .
C37_6 C 0.7725(9) 0.5372(9) 0.4669(5) 0.065(5) Uani 1 1 d . U . . .
H37_6 H 0.791452 0.576398 0.465073 0.079 Uiso 1 1 calc R U . . .
C38_6 C 0.7093(8) 0.3716(8) 0.5347(5) 0.055(5) Uani 1 1 d . U . . .
H38_6 H 0.707497 0.354256 0.556235 0.066 Uiso 1 1 calc R U . . .
Fe5 Fe 0.34231(15) 0.65721(14) -0.12666(7) 0.0686(10) Uani 1 1 d . . . . .
Fe6 Fe 0.62147(16) 0.80794(15) 0.15841(8) 0.0826(11) Uani 1 1 d . . . . .
Fe7 Fe 0.18727(16) 0.3871(2) 0.13718(11) 0.1223(17) Uani 1 1 d . . . . .
Fe8 Fe 0.0747(2) 0.9170(2) 0.11226(9) 0.160(2) Uani 1 1 d . . . . .
N1_7 N 0.3396(8) 0.5778(7) -0.1514(4) 0.065(5) Uani 1 1 d . U . . .
C2_7 C 0.3041(10) 0.5553(9) -0.1797(5) 0.074(6) Uani 1 1 d . U . . .
H2_7 H 0.275669 0.578602 -0.189031 0.088 Uiso 1 1 calc R U . . .
C3_7 C 0.3083(10) 0.4997(9) -0.1951(6) 0.078(6) Uani 1 1 d . U . . .
H3_7 H 0.282631 0.485669 -0.214574 0.093 Uiso 1 1 calc R U . . .
C4_7 C 0.3496(10) 0.4643(10) -0.1826(6) 0.081(6) Uani 1 1 d . U . . .
H4_7 H 0.354368 0.426991 -0.193607 0.097 Uiso 1 1 calc R U . . .
C5_7 C 0.3824(10) 0.4859(9) -0.1539(5) 0.073(6) Uani 1 1 d . U . . .
H5_7 H 0.408511 0.461896 -0.143210 0.088 Uiso 1 1 calc R U . . .
C6_7 C 0.3787(9) 0.5430(9) -0.1397(5) 0.063(5) Uani 1 1 d . U . . .
C7_7 C 0.4126(9) 0.5697(9) -0.1082(5) 0.057(5) Uani 1 1 d . U . . .
H7_7 H 0.440907 0.549011 -0.096604 0.069 Uiso 1 1 calc R U . . .
N8_7 N 0.4028(7) 0.6213(7) -0.0969(4) 0.058(4) Uani 1 1 d . U . . .
N9_7 N 0.4356(7) 0.6420(7) -0.0647(4) 0.055(4) Uani 1 1 d . U . . .
C10_7 C 0.4131(10) 0.6085(10) -0.0375(5) 0.059(5) Uani 1 1 d . U . . .
O11_7 O 0.3742(6) 0.5681(6) -0.0408(3) 0.058(4) Uani 1 1 d . U . . .
C12_7 C 0.4436(9) 0.6294(9) -0.0032(5) 0.057(5) Uani 1 1 d . U . . .
C13_7 C 0.4954(10) 0.6718(9) -0.0022(5) 0.065(5) Uani 1 1 d . U . . .
C14_7 C 0.5188(11) 0.6970(10) -0.0318(6) 0.077(5) Uani 1 1 d . U . . .
C15_7 C 0.4879(10) 0.6846(10) -0.0666(6) 0.067(5) Uani 1 1 d . U . . .
O16_7 O 0.5031(6) 0.7039(6) -0.0927(4) 0.078(4) Uani 1 1 d . U . . .
C17_7 C 0.4234(9) 0.6037(8) 0.0257(5) 0.060(5) Uani 1 1 d . U . . .
H17_7 H 0.389138 0.574251 0.024402 0.072 Uiso 1 1 calc R U . . .
C18_7 C 0.5720(11) 0.7361(10) -0.0301(6) 0.102(6) Uani 1 1 d . U . . .
H18_7 H 0.587730 0.752056 -0.050406 0.122 Uiso 1 1 calc R U . . .
N21_7 N 0.6826(8) 0.7671(8) 0.1816(4) 0.073(5) Uani 1 1 d . U . . .
C22_7 C 0.7170(11) 0.7848(10) 0.2109(6) 0.092(6) Uani 1 1 d . U . . .
H22_7 H 0.711844 0.821383 0.222730 0.110 Uiso 1 1 calc R U . . .
C23_7 C 0.7591(11) 0.7511(11) 0.2238(6) 0.093(7) Uani 1 1 d . U . . .
H23_7 H 0.782213 0.766011 0.244096 0.111 Uiso 1 1 calc R U . . .
C24_7 C 0.7691(11) 0.6990(11) 0.2094(6) 0.098(7) Uani 1 1 d . U . . .
H24_7 H 0.798330 0.676641 0.218771 0.118 Uiso 1 1 calc R U . . .
C25_7 C 0.7338(10) 0.6794(10) 0.1797(6) 0.089(6) Uani 1 1 d . U . . .
H25_7 H 0.737251 0.642334 0.167881 0.107 Uiso 1 1 calc R U . . .
C26_7 C 0.6937(11) 0.7161(11) 0.1682(6) 0.080(6) Uani 1 1 d . U . . .
C27_7 C 0.6558(10) 0.6974(10) 0.1345(5) 0.076(6) Uani 1 1 d . U . . .
H27_7 H 0.659090 0.662023 0.120912 0.091 Uiso 1 1 calc R U . . .
N28_7 N 0.6198(8) 0.7343(7) 0.1267(4) 0.074(5) Uani 1 1 d . U . . .
N29_7 N 0.5881(8) 0.7195(8) 0.0935(5) 0.078(4) Uani 1 1 d . U . . .
C30_7 C 0.6168(14) 0.7418(12) 0.0660(7) 0.108(6) Uani 1 1 d . U . . .
O31_7 O 0.6692(10) 0.7671(10) 0.0669(5) 0.175(8) Uani 1 1 d . U . . .
C32_7 C 0.5813(11) 0.7286(11) 0.0319(6) 0.093(6) Uani 1 1 d . U . . .
C33_7 C 0.5274(10) 0.6877(9) 0.0300(6) 0.066(5) Uani 1 1 d . U . . .
C34_7 C 0.5066(9) 0.6632(9) 0.0593(5) 0.057(5) Uani 1 1 d . U . . .
C35_7 C 0.5360(11) 0.6751(10) 0.0945(6) 0.069(5) Uani 1 1 d . U . . .
O36_7 O 0.5206(6) 0.6565(6) 0.1210(4) 0.075(4) Uani 1 1 d . U . . .
C37_7 C 0.6040(12) 0.7527(11) 0.0032(6) 0.111(7) Uani 1 1 d . U . . .
H37_7 H 0.640070 0.779987 0.004733 0.133 Uiso 1 1 calc R U . . .
C38_7 C 0.4545(8) 0.6217(8) 0.0580(5) 0.050(4) Uani 1 1 d . U . . .
H38_7 H 0.439839 0.605477 0.078493 0.060 Uiso 1 1 calc R U . . .
N1_8 N 0.2794(9) 0.6817(8) -0.1585(5) 0.079(5) Uani 1 1 d . U . . .
C2_8 C 0.2867(12) 0.7117(10) -0.1878(6) 0.090(6) Uani 1 1 d . U . . .
H2_8 H 0.326663 0.721168 -0.195865 0.108 Uiso 1 1 calc R U . . .
C3_8 C 0.2398(13) 0.7277(11) -0.2054(7) 0.107(7) Uani 1 1 d . U . . .
H3_8 H 0.246995 0.749010 -0.225366 0.128 Uiso 1 1 calc R U . . .
C4_8 C 0.1796(13) 0.7139(12) -0.1950(7) 0.117(7) Uani 1 1 d . U . . .
H4_8 H 0.146321 0.725711 -0.207624 0.140 Uiso 1 1 calc R U . . .
C5_8 C 0.1701(11) 0.6825(10) -0.1657(6) 0.100(6) Uani 1 1 d . U . . .
H5_8 H 0.130465 0.673270 -0.157209 0.120 Uiso 1 1 calc R U . . .
C6_8 C 0.2235(12) 0.6647(10) -0.1489(6) 0.086(6) Uani 1 1 d . U . . .
C7_8 C 0.2141(11) 0.6371(9) -0.1174(6) 0.076(6) Uani 1 1 d . U . . .
H7_8 H 0.175209 0.626848 -0.108204 0.091 Uiso 1 1 calc R U . . .
N8_8 N 0.2661(7) 0.6277(7) -0.1027(4) 0.065(4) Uani 1 1 d . U . . .
N9_8 N 0.2596(7) 0.5959(8) -0.0722(4) 0.062(4) Uani 1 1 d . U . . .
C10_8 C 0.2511(10) 0.5353(10) -0.0771(6) 0.069(5) Uani 1 1 d . U . . .
O11_8 O 0.2474(6) 0.5119(6) -0.1068(4) 0.067(4) Uani 1 1 d . U . . .
C12_8 C 0.2460(10) 0.5021(10) -0.0461(6) 0.076(5) Uani 1 1 d . U . . .
C13_8 C 0.2513(10) 0.5335(11) -0.0143(6) 0.075(5) Uani 1 1 d . U . . .
C14_8 C 0.2601(9) 0.5951(10) -0.0086(6) 0.071(5) Uani 1 1 d . U . . .
C15_8 C 0.2589(11) 0.6291(12) -0.0413(6) 0.080(5) Uani 1 1 d . U . . .
O16_8 O 0.2601(8) 0.6821(7) -0.0395(3) 0.099(5) Uani 1 1 d . U . . .
C17_8 C 0.2400(9) 0.4418(10) -0.0482(6) 0.079(5) Uani 1 1 d . U . . .
H17_8 H 0.236797 0.420839 -0.070151 0.095 Uiso 1 1 calc R U . . .
C18_8 C 0.2676(9) 0.6258(10) 0.0220(6) 0.073(5) Uani 1 1 d . U . . .
H18_8 H 0.271260 0.667632 0.024083 0.088 Uiso 1 1 calc R U . . .
N21_8 N 0.2474(10) 0.3367(10) 0.1539(6) 0.113(6) Uani 1 1 d . U . . .
C22_8 C 0.2406(12) 0.2996(11) 0.1818(7) 0.112(7) Uani 1 1 d . U . . .
H22_8 H 0.205776 0.298979 0.195600 0.134 Uiso 1 1 calc R U . . .
C23_8 C 0.2854(13) 0.2644(12) 0.1885(7) 0.119(7) Uani 1 1 d . U . . .
H23_8 H 0.280342 0.240618 0.207615 0.142 Uiso 1 1 calc R U . . .
C24_8 C 0.3373(13) 0.2607(12) 0.1697(7) 0.121(7) Uani 1 1 d . U . . .
H24_8 H 0.365395 0.233503 0.174017 0.145 Uiso 1 1 calc R U . . .
C25_8 C 0.3451(13) 0.3011(12) 0.1432(7) 0.122(7) Uani 1 1 d . U . . .
H25_8 H 0.380307 0.303609 0.129724 0.146 Uiso 1 1 calc R U . . .
C26_8 C 0.2999(15) 0.3364(13) 0.1379(8) 0.116(7) Uani 1 1 d . U . . .
C27_8 C 0.3019(13) 0.3742(11) 0.1081(7) 0.115(7) Uani 1 1 d . U . . .
H27_8 H 0.332825 0.374752 0.091592 0.139 Uiso 1 1 calc R U . . .
N28_8 N 0.2558(9) 0.4076(9) 0.1066(5) 0.104(6) Uani 1 1 d . U . . .
N29_8 N 0.2549(8) 0.4369(10) 0.0756(5) 0.091(5) Uani 1 1 d . U . . .
C30_8 C 0.2648(11) 0.4979(12) 0.0801(7) 0.085(6) Uani 1 1 d . U . . .
O31_8 O 0.2749(7) 0.5235(7) 0.1087(4) 0.092(5) Uani 1 1 d . U . . .
C32_8 C 0.2625(10) 0.5301(10) 0.0483(6) 0.076(5) Uani 1 1 d . U . . .
C33_8 C 0.2543(10) 0.5026(11) 0.0163(6) 0.080(5) Uani 1 1 d . U . . .
C34_8 C 0.2437(10) 0.4396(11) 0.0119(7) 0.084(5) Uani 1 1 d . U . . .
C35_8 C 0.2441(12) 0.4035(13) 0.0440(7) 0.100(6) Uani 1 1 d . U . . .
O36_8 O 0.2380(8) 0.3477(8) 0.0411(5) 0.130(6) Uani 1 1 d . U . . .
C37_8 C 0.2699(9) 0.5908(10) 0.0517(6) 0.073(5) Uani 1 1 d . U . . .
H37_8 H 0.276643 0.610234 0.074005 0.088 Uiso 1 1 calc R U . . .
C38_8 C 0.2386(10) 0.4102(11) -0.0181(6) 0.090(6) Uani 1 1 d . U . . .
H38_8 H 0.233938 0.368314 -0.019626 0.108 Uiso 1 1 calc R U . . .
N1_9 N 0.4113(7) 0.6916(6) -0.1547(4) 0.073(5) Uani 1 1 d D U . . .
C2_9 C 0.4402(8) 0.6631(7) -0.1799(5) 0.079(6) Uani 1 1 d D U . . .
H2_9 H 0.426845 0.622838 -0.186381 0.094 Uiso 1 1 calc R U . . .
C3_9 C 0.4902(9) 0.6930(8) -0.1969(5) 0.085(6) Uani 1 1 d D U . . .
H3_9 H 0.511431 0.672743 -0.213852 0.103 Uiso 1 1 calc R U . . .
C4_9 C 0.5067(8) 0.7517(8) -0.1878(5) 0.087(6) Uani 1 1 d D U . . .
H4_9 H 0.537688 0.772815 -0.200149 0.104 Uiso 1 1 calc R U . . .
C5_9 C 0.4794(8) 0.7819(7) -0.1610(5) 0.082(6) Uani 1 1 d D U . . .
H5_9 H 0.492470 0.821987 -0.153768 0.099 Uiso 1 1 calc R U . . .
C6_9 C 0.4317(8) 0.7487(7) -0.1458(4) 0.074(5) Uani 1 1 d D U . . .
C7_9 C 0.4000(8) 0.7741(7) -0.1175(4) 0.082(6) Uani 1 1 d D U . . .
H7_9 H 0.410729 0.813841 -0.108769 0.098 Uiso 1 1 calc R U . . .
N8_9 N 0.3558(6) 0.7397(6) -0.1043(3) 0.071(4) Uani 1 1 d D U . . .
N9_9 N 0.3260(6) 0.7690(7) -0.0780(3) 0.080(4) Uani 1 1 d D U . . .
C10_9 C 0.3536(8) 0.7749(10) -0.0446(4) 0.086(6) Uani 1 1 d D U . . .
O11_9 O 0.4032(6) 0.7576(7) -0.0402(3) 0.095(5) Uani 1 1 d D U . . .
C12_9 C 0.3224(7) 0.8077(9) -0.0187(4) 0.090(6) Uani 1 1 d D U . . .
C13_9 C 0.2617(7) 0.8202(9) -0.0250(4) 0.089(5) Uani 1 1 d D U . . .
C14_9 C 0.2353(7) 0.8104(9) -0.0590(4) 0.083(5) Uani 1 1 d D U . . .
C15_9 C 0.2681(7) 0.7859(9) -0.0874(4) 0.078(5) Uani 1 1 d D U . . .
O16_9 O 0.2520(6) 0.7832(6) -0.1173(3) 0.090(5) Uani 1 1 d D U . . .
C17_9 C 0.3483(8) 0.8219(9) 0.0142(4) 0.098(6) Uani 1 1 d D U . . .
H17_9 H 0.387178 0.810436 0.019487 0.118 Uiso 1 1 calc R U . . .
C18_9 C 0.1776(7) 0.8244(9) -0.0648(4) 0.088(6) Uani 1 1 d D U . . .
H18_9 H 0.158891 0.815227 -0.087084 0.106 Uiso 1 1 calc R U . . .
N21_9 N 0.1032(9) 0.9981(8) 0.1321(5) 0.148(7) Uani 1 1 d D U . . .
C22_9 C 0.0855(12) 1.0253(11) 0.1621(6) 0.156(8) Uani 1 1 d D U . . .
H22_9 H 0.053270 1.006682 0.174694 0.187 Uiso 1 1 calc R U . . .
C23_9 C 0.1150(13) 1.0800(11) 0.1738(6) 0.154(8) Uani 1 1 d D U . . .
H23_9 H 0.102735 1.098494 0.194559 0.185 Uiso 1 1 calc R U . . .
C24_9 C 0.1614(13) 1.1080(10) 0.1562(6) 0.162(9) Uani 1 1 d D U . . .
H24_9 H 0.181812 1.144991 0.165207 0.195 Uiso 1 1 calc R U . . .
C25_9 C 0.1796(11) 1.0816(9) 0.1241(6) 0.154(8) Uani 1 1 d D U . . .
H25_9 H 0.209335 1.100755 0.110067 0.184 Uiso 1 1 calc R U . . .
C26_9 C 0.1496(11) 1.0257(9) 0.1155(5) 0.128(7) Uani 1 1 d D U . . .
C27_9 C 0.1706(10) 0.9936(8) 0.0847(5) 0.123(7) Uani 1 1 d D U . . .
H27_9 H 0.202405 1.009519 0.070863 0.148 Uiso 1 1 calc R U . . .
N28_9 N 0.1400(7) 0.9400(8) 0.0787(4) 0.114(6) Uani 1 1 d D U . . .
N29_9 N 0.1695(6) 0.9048(7) 0.0534(3) 0.110(5) Uani 1 1 d D U . . .
C30_9 C 0.1376(8) 0.8945(11) 0.0194(4) 0.110(6) Uani 1 1 d D U . . .
O31_9 O 0.0869(7) 0.9088(8) 0.0172(4) 0.144(7) Uani 1 1 d D U . . .
C32_9 C 0.1708(7) 0.8635(10) -0.0057(4) 0.098(6) Uani 1 1 d D U . . .
C33_9 C 0.2313(7) 0.8518(9) 0.0002(4) 0.093(6) Uani 1 1 d D U . . .
C34_9 C 0.2604(8) 0.8649(10) 0.0335(4) 0.101(6) Uani 1 1 d D U . . .
C35_9 C 0.2312(7) 0.9015(10) 0.0592(5) 0.101(6) Uani 1 1 d D U . . .
O36_9 O 0.2598(7) 0.9236(7) 0.0860(3) 0.113(6) Uani 1 1 d D U . . .
C37_9 C 0.1440(8) 0.8522(9) -0.0387(4) 0.098(6) Uani 1 1 d D U . . .
H37_9 H 0.104580 0.862674 -0.043797 0.117 Uiso 1 1 calc R U . . .
C38_9 C 0.3191(8) 0.8522(10) 0.0396(4) 0.101(6) Uani 1 1 d D U . . .
H38_9 H 0.339488 0.864263 0.061142 0.122 Uiso 1 1 calc R U . . .
N1_10 N 0.6297(7) 0.8738(6) 0.1945(4) 0.096(5) Uani 1 1 d D U . . .
C2_10 C 0.6653(10) 0.9264(8) 0.1937(5) 0.115(7) Uani 1 1 d D U . . .
H2_10 H 0.692919 0.932549 0.175616 0.138 Uiso 1 1 calc R U . . .
C3_10 C 0.6614(10) 0.9726(8) 0.2198(6) 0.119(7) Uani 1 1 d D U . . .
H3_10 H 0.680505 1.011508 0.217495 0.143 Uiso 1 1 calc R U . . .
C4_10 C 0.6292(10) 0.9586(8) 0.2483(5) 0.115(7) Uani 1 1 d D U . . .
H4_10 H 0.631041 0.987038 0.267272 0.138 Uiso 1 1 calc R U . . .
C5_10 C 0.5932(10) 0.9038(8) 0.2506(5) 0.115(7) Uani 1 1 d D U . . .
H5_10 H 0.568891 0.895054 0.269775 0.138 Uiso 1 1 calc R U . . .
C6_10 C 0.5963(9) 0.8636(7) 0.2225(5) 0.090(6) Uani 1 1 d D U . . .
C7_10 C 0.5562(8) 0.8085(7) 0.2196(4) 0.085(6) Uani 1 1 d D U . . .
H7_10 H 0.530019 0.797368 0.237610 0.102 Uiso 1 1 calc R U . . .
N8_10 N 0.5573(6) 0.7744(5) 0.1912(4) 0.070(4) Uani 1 1 d D U . . .
N9_10 N 0.5096(5) 0.7269(5) 0.1886(4) 0.065(4) Uani 1 1 d D U . . .
C10_10 C 0.4496(6) 0.7425(6) 0.1870(5) 0.067(5) Uani 1 1 d D U . . .
O11_10 O 0.4425(6) 0.7947(5) 0.1906(3) 0.083(4) Uani 1 1 d D U . . .
C12_10 C 0.4007(6) 0.6938(6) 0.1838(5) 0.072(5) Uani 1 1 d D U . . .
C13_10 C 0.4130(6) 0.6342(6) 0.1837(5) 0.064(4) Uani 1 1 d D U . . .
C14_10 C 0.4744(6) 0.6222(6) 0.1889(5) 0.066(5) Uani 1 1 d D U . . .
C15_10 C 0.5261(6) 0.6688(6) 0.1905(5) 0.061(5) Uani 1 1 d D U . . .
O16_10 O 0.5787(5) 0.6610(5) 0.1960(3) 0.075(4) Uani 1 1 d D U . . .
C17_10 C 0.3400(6) 0.7039(6) 0.1810(5) 0.075(5) Uani 1 1 d D U . . .
H17_10 H 0.330918 0.743534 0.182404 0.091 Uiso 1 1 calc R U . . .
C18_10 C 0.4846(7) 0.5647(6) 0.1922(5) 0.077(5) Uani 1 1 d D U . . .
H18_10 H 0.525121 0.556444 0.196326 0.092 Uiso 1 1 calc R U . . .
N21_10 N 0.1288(8) 0.3630(8) 0.1720(5) 0.135(7) Uani 1 1 d D U . . .
C22_10 C 0.0824(10) 0.3170(9) 0.1692(6) 0.130(8) Uani 1 1 d D U . . .
H22_10 H 0.077232 0.291771 0.148745 0.156 Uiso 1 1 calc R U . . .
C23_10 C 0.0429(10) 0.3073(10) 0.1960(6) 0.137(8) Uani 1 1 d D U . . .
H23_10 H 0.011414 0.275080 0.193938 0.165 Uiso 1 1 calc R U . . .
C24_10 C 0.0495(10) 0.3441(10) 0.2253(6) 0.133(8) Uani 1 1 d D U . . .
H24_10 H 0.021267 0.338431 0.243069 0.160 Uiso 1 1 calc R U . . .
C25_10 C 0.0990(10) 0.3915(10) 0.2294(5) 0.132(7) Uani 1 1 d D U . . .
H25_10 H 0.107767 0.414780 0.250461 0.158 Uiso 1 1 calc R U . . .
C26_10 C 0.1327(9) 0.4003(9) 0.2002(5) 0.118(7) Uani 1 1 d D U . . .
C27_10 C 0.1856(9) 0.4466(9) 0.2032(5) 0.114(7) Uani 1 1 d D U . . .
H27_10 H 0.195699 0.472220 0.223264 0.137 Uiso 1 1 calc R U . . .
N28_10 N 0.2178(6) 0.4484(6) 0.1746(4) 0.099(5) Uani 1 1 d D U . . .
N29_10 N 0.2670(6) 0.4961(6) 0.1773(4) 0.097(5) Uani 1 1 d D U . . .
C30_10 C 0.3283(7) 0.4801(7) 0.1848(7) 0.099(6) Uani 1 1 d D U . . .
O31_10 O 0.3310(6) 0.4291(6) 0.1899(5) 0.125(6) Uani 1 1 d D U . . .
C32_10 C 0.3762(6) 0.5283(6) 0.1833(5) 0.080(5) Uani 1 1 d D U . . .
C33_10 C 0.3649(6) 0.5874(6) 0.1808(5) 0.073(5) Uani 1 1 d D U . . .
C34_10 C 0.3039(6) 0.6008(6) 0.1760(5) 0.070(5) Uani 1 1 d D U . . .
C35_10 C 0.2528(7) 0.5528(6) 0.1736(5) 0.077(5) Uani 1 1 d D U . . .
O36_10 O 0.1991(5) 0.5623(6) 0.1681(4) 0.107(5) Uani 1 1 d D U . . .
C37_10 C 0.4360(6) 0.5166(6) 0.1896(5) 0.077(5) Uani 1 1 d D U . . .
H37_10 H 0.444454 0.477298 0.192125 0.092 Uiso 1 1 calc R U . . .
C38_10 C 0.2921(7) 0.6588(6) 0.1761(5) 0.077(5) Uani 1 1 d D U . . .
H38_10 H 0.251496 0.667693 0.172991 0.093 Uiso 1 1 calc R U . . .
N1_11 N 0.6839(7) 0.8518(8) 0.1306(5) 0.121(6) Uani 1 1 d D U . . .
C2_11 C 0.7435(9) 0.8429(12) 0.1279(7) 0.149(8) Uani 1 1 d D U . . .
H2_11 H 0.760612 0.818275 0.143358 0.179 Uiso 1 1 calc R U . . .
C3_11 C 0.7807(9) 0.8699(13) 0.1023(7) 0.170(9) Uani 1 1 d D U . . .
H3_11 H 0.822334 0.864035 0.100464 0.203 Uiso 1 1 calc R U . . .
C4_11 C 0.7533(11) 0.9047(13) 0.0806(7) 0.176(9) Uani 1 1 d D U . . .
H4_11 H 0.774179 0.917474 0.060875 0.211 Uiso 1 1 calc R U . . .
C5_11 C 0.6951(10) 0.9222(11) 0.0865(7) 0.166(8) Uani 1 1 d D U . . .
H5_11 H 0.680691 0.954483 0.075948 0.199 Uiso 1 1 calc R U . . .
C6_11 C 0.6606(8) 0.8880(11) 0.1090(6) 0.136(7) Uani 1 1 d D U . . .
C7_11 C 0.5953(8) 0.8882(10) 0.1108(6) 0.128(7) Uani 1 1 d D U . . .
H7_11 H 0.574239 0.913249 0.097422 0.154 Uiso 1 1 calc R U . . .
N8_11 N 0.5663(6) 0.8522(7) 0.1316(4) 0.097(5) Uani 1 1 d D U . . .
N9_11 N 0.5038(5) 0.8583(6) 0.1339(4) 0.088(4) Uani 1 1 d D U . . .
C10_11 C 0.4624(6) 0.8128(8) 0.1172(5) 0.086(6) Uani 1 1 d D U . . .
O11_11 O 0.4824(6) 0.7747(6) 0.0989(3) 0.089(5) Uani 1 1 d D U . . .
C12_11 C 0.3983(6) 0.8186(7) 0.1213(5) 0.077(5) Uani 1 1 d D U . . .
C13_11 C 0.3785(6) 0.8677(7) 0.1402(5) 0.080(5) Uani 1 1 d D U . . .
C14_11 C 0.4230(6) 0.9121(7) 0.1561(5) 0.091(5) Uani 1 1 d D U . . .
C15_11 C 0.4880(7) 0.9080(8) 0.1541(6) 0.096(6) Uani 1 1 d D U . . .
O16_11 O 0.5273(6) 0.9443(6) 0.1673(4) 0.118(6) Uani 1 1 d D U . . .
C17_11 C 0.3538(6) 0.7745(7) 0.1076(5) 0.074(5) Uani 1 1 d D U . . .
H17_11 H 0.366288 0.741156 0.095127 0.089 Uiso 1 1 calc R U . . .
C18_11 C 0.4033(7) 0.9604(7) 0.1729(5) 0.097(6) Uani 1 1 d D U . . .
H18_11 H 0.432717 0.991177 0.182592 0.116 Uiso 1 1 calc R U . . .
N21_11 N 0.0154(8) 0.9103(10) 0.1492(5) 0.140(7) Uani 1 1 d D U . . .
C22_11 C -0.0459(9) 0.9157(13) 0.1476(6) 0.154(8) Uani 1 1 d D U . . .
H22_11 H -0.064573 0.923871 0.126425 0.185 Uiso 1 1 calc R U . . .
C23_11 C -0.0808(9) 0.9094(14) 0.1766(7) 0.159(9) Uani 1 1 d D U . . .
H23_11 H -0.122070 0.917166 0.175797 0.191 Uiso 1 1 calc R U . . .
C24_11 C -0.0559(9) 0.8921(12) 0.2063(6) 0.142(8) Uani 1 1 d D U . . .
H24_11 H -0.080716 0.884996 0.225485 0.170 Uiso 1 1 calc R U . . .
C25_11 C 0.0077(9) 0.8847(12) 0.2087(5) 0.132(7) Uani 1 1 d D U . . .
H25_11 H 0.027391 0.876532 0.229543 0.158 Uiso 1 1 calc R U . . .
C26_11 C 0.0379(8) 0.8904(12) 0.1782(5) 0.125(7) Uani 1 1 d D U . . .
C27_11 C 0.1023(8) 0.8806(10) 0.1783(5) 0.110(7) Uani 1 1 d D U . . .
H27_11 H 0.123684 0.869915 0.197960 0.131 Uiso 1 1 calc R U . . .
N28_11 N 0.1276(6) 0.8882(7) 0.1480(4) 0.102(5) Uani 1 1 d D U . . .
N29_11 N 0.1911(6) 0.8804(6) 0.1488(4) 0.090(5) Uani 1 1 d D U . . .
C30_11 C 0.2332(7) 0.9292(8) 0.1654(6) 0.099(6) Uani 1 1 d D U . . .
O31_11 O 0.2099(7) 0.9670(6) 0.1812(4) 0.117(6) Uani 1 1 d D U . . .
C32_11 C 0.2964(6) 0.9214(7) 0.1622(5) 0.088(5) Uani 1 1 d D U . . .
C33_11 C 0.3160(6) 0.8718(7) 0.1444(5) 0.085(5) Uani 1 1 d D U . . .
C34_11 C 0.2726(6) 0.8252(7) 0.1293(5) 0.080(5) Uani 1 1 d D U . . .
C35_11 C 0.2072(7) 0.8315(8) 0.1298(6) 0.095(6) Uani 1 1 d D U . . .
O36_11 O 0.1670(5) 0.7916(5) 0.1185(4) 0.092(5) Uani 1 1 d D U . . .
C37_11 C 0.3398(7) 0.9661(7) 0.1764(5) 0.100(6) Uani 1 1 d D U . . .
H37_11 H 0.327490 1.000018 0.188320 0.120 Uiso 1 1 calc R U . . .
C38_11 C 0.2922(6) 0.7772(7) 0.1113(5) 0.079(5) Uani 1 1 d D U . . .
H38_11 H 0.263233 0.746179 0.101577 0.095 Uiso 1 1 calc R U . . .
N1_12 N 0.1461(8) 0.3188(7) 0.1058(5) 0.120(6) Uani 1 1 d D U . . .
C2_12 C 0.1673(10) 0.2666(9) 0.0971(6) 0.134(8) Uani 1 1 d D U . . .
H2_12 H 0.206378 0.259948 0.105642 0.161 Uiso 1 1 calc R U . . .
C3_12 C 0.1324(11) 0.2214(9) 0.0753(7) 0.143(8) Uani 1 1 d D U . . .
H3_12 H 0.145438 0.183704 0.070890 0.171 Uiso 1 1 calc R U . . .
C4_12 C 0.0790(10) 0.2354(8) 0.0610(6) 0.129(8) Uani 1 1 d D U . . .
H4_12 H 0.054925 0.206361 0.046359 0.155 Uiso 1 1 calc R U . . .
C5_12 C 0.0581(10) 0.2908(9) 0.0671(6) 0.131(7) Uani 1 1 d D U . . .
H5_12 H 0.020332 0.299443 0.057753 0.157 Uiso 1 1 calc R U . . .
C6_12 C 0.0965(10) 0.3318(7) 0.0879(6) 0.116(7) Uani 1 1 d D U . . .
C7_12 C 0.0829(9) 0.3915(7) 0.0951(6) 0.106(7) Uani 1 1 d D U . . .
H7_12 H 0.045913 0.403595 0.086818 0.128 Uiso 1 1 calc R U . . .
N8_12 N 0.1230(8) 0.4288(6) 0.1135(4) 0.101(5) Uani 1 1 d D U . . .
N9_12 N 0.1141(7) 0.4883(5) 0.1106(3) 0.091(5) Uani 1 1 d D U . . .
C10_12 C 0.0864(10) 0.5171(7) 0.1383(4) 0.090(6) Uani 1 1 d D U . . .
O11_12 O 0.0752(7) 0.4905(7) 0.1641(3) 0.112(5) Uani 1 1 d D U . . .
C12_12 C 0.0799(10) 0.5788(7) 0.1352(4) 0.094(5) Uani 1 1 d D U . . .
C13_12 C 0.0900(10) 0.6055(6) 0.1033(4) 0.086(5) Uani 1 1 d D U . . .
C14_12 C 0.1081(10) 0.5708(6) 0.0745(4) 0.088(5) Uani 1 1 d D U . . .
C15_12 C 0.1192(10) 0.5095(7) 0.0769(4) 0.079(5) Uani 1 1 d D U . . .
O16_12 O 0.1348(6) 0.4785(6) 0.0534(3) 0.089(5) Uani 1 1 d D U . . .
C17_12 C 0.0571(10) 0.6128(7) 0.1616(4) 0.100(6) Uani 1 1 d D U . . .
H17_12 H 0.049011 0.595536 0.182750 0.119 Uiso 1 1 calc R U . . .
C18_12 C 0.1172(9) 0.5969(7) 0.0439(4) 0.087(6) Uani 1 1 d D U . . .
H18_12 H 0.129063 0.573964 0.024597 0.104 Uiso 1 1 calc R U . . .
N21_12 N 0.0152(10) 0.9449(8) 0.0795(6) 0.158(7) Uani 1 1 d D U . . .
C22_12 C 0.0090(13) 1.0028(8) 0.0747(7) 0.174(9) Uani 1 1 d D U . . .
H22_12 H 0.031144 1.033471 0.089171 0.209 Uiso 1 1 calc R U . . .
C23_12 C -0.0301(14) 1.0161(10) 0.0484(8) 0.180(9) Uani 1 1 d D U . . .
H23_12 H -0.028429 1.055251 0.041424 0.216 Uiso 1 1 calc R U . . .
C24_12 C -0.0709(13) 0.9721(11) 0.0327(7) 0.175(9) Uani 1 1 d D U . . .
H24_12 H -0.104540 0.982061 0.019582 0.210 Uiso 1 1 calc R U . . .
C25_12 C -0.0635(12) 0.9110(10) 0.0359(7) 0.167(8) Uani 1 1 d D U . . .
H25_12 H -0.084633 0.879761 0.021416 0.200 Uiso 1 1 calc R U . . .
C26_12 C -0.0226(12) 0.9019(8) 0.0623(7) 0.158(8) Uani 1 1 d D U . . .
C27_12 C -0.0083(11) 0.8407(8) 0.0644(6) 0.141(8) Uani 1 1 d D U . . .
H27_12 H -0.029699 0.807380 0.051744 0.169 Uiso 1 1 calc R U . . .
N28_12 N 0.0388(8) 0.8383(6) 0.0866(4) 0.118(6) Uani 1 1 d D U . . .
N29_12 N 0.0489(8) 0.7785(6) 0.0913(3) 0.111(5) Uani 1 1 d D U . . .
C30_12 C 0.0776(11) 0.7496(7) 0.0622(5) 0.104(6) Uani 1 1 d D U . . .
O31_12 O 0.0916(8) 0.7804(6) 0.0391(4) 0.120(6) Uani 1 1 d D U . . .
C32_12 C 0.0881(10) 0.6901(7) 0.0677(4) 0.093(5) Uani 1 1 d D U . . .
C33_12 C 0.0783(10) 0.6642(6) 0.0995(4) 0.087(5) Uani 1 1 d D U . . .
C34_12 C 0.0534(10) 0.6962(7) 0.1275(4) 0.093(5) Uani 1 1 d D U . . .
C35_12 C 0.0352(11) 0.7549(7) 0.1225(4) 0.103(6) Uani 1 1 d D U . . .
O36_12 O 0.0074(8) 0.7824(7) 0.1444(4) 0.132(6) Uani 1 1 d D U . . .
C37_12 C 0.1094(9) 0.6576(7) 0.0402(4) 0.088(6) Uani 1 1 d D U . . .
H37_12 H 0.118668 0.675309 0.019238 0.106 Uiso 1 1 calc R U . . .
C38_12 C 0.0457(10) 0.6707(7) 0.1586(4) 0.105(6) Uani 1 1 d D U . . .
H38_12 H 0.032637 0.692716 0.177879 0.126 Uiso 1 1 calc R U . . .
B1_21 B 0.1671(5) 0.2211(5) 0.2532(3) 0.135(8) Uani 1 1 d D U . . .
F2_21 F 0.1824(6) 0.2809(4) 0.2544(3) 0.128(5) Uani 1 1 d D U . . .
F3_21 F 0.1300(7) 0.2036(7) 0.2247(4) 0.227(8) Uani 1 1 d D U . . .
F4_21 F 0.1371(7) 0.2062(6) 0.2823(4) 0.187(7) Uani 1 1 d D U . . .
F5_21 F 0.2184(6) 0.1930(5) 0.2512(4) 0.163(6) Uani 1 1 d D U . . .
B1_22 B 0.4945(5) 0.7258(5) 0.2903(3) 0.090(6) Uani 1 1 d D U . . .
F2_22 F 0.5113(5) 0.7856(4) 0.2947(3) 0.120(4) Uani 1 1 d D U . . .
F3_22 F 0.4573(5) 0.7126(5) 0.2613(2) 0.107(4) Uani 1 1 d D U . . .
F4_22 F 0.4639(6) 0.7072(6) 0.3185(2) 0.157(6) Uani 1 1 d D U . . .
F5_22 F 0.5455(5) 0.6979(5) 0.2867(3) 0.148(6) Uani 1 1 d D U . . .
B1_23 B 0.1847(6) 0.7878(5) 0.2279(3) 0.122(8) Uani 1 1 d D U . . .
F2_23 F 0.1231(5) 0.7723(7) 0.2236(4) 0.200(7) Uani 1 1 d D U . . .
F3_23 F 0.2138(7) 0.7614(7) 0.2017(3) 0.190(7) Uani 1 1 d D U . . .
F4_23 F 0.1981(7) 0.8479(5) 0.2272(4) 0.176(6) Uani 1 1 d D U . . .
F5_23 F 0.2038(6) 0.7703(5) 0.2590(3) 0.139(5) Uani 1 1 d D U . . .
B1_24 B 0.5009(4) 0.6140(5) 0.5607(3) 0.074(6) Uani 1 1 d D U . . .
F2_24 F 0.4450(4) 0.6193(4) 0.5462(3) 0.089(4) Uani 1 1 d D U . . .
F3_24 F 0.5344(5) 0.6687(4) 0.5641(4) 0.190(7) Uani 1 1 d D U . . .
F4_24 F 0.4940(6) 0.5926(6) 0.5926(2) 0.167(6) Uani 1 1 d D U . . .
F5_24 F 0.5308(4) 0.5764(4) 0.5406(3) 0.088(4) Uani 1 1 d D U . . .
B1_25 B 0.0847(5) 0.7308(5) 0.7206(3) 0.114(7) Uani 1 1 d D U . . .
F2_25 F 0.0313(5) 0.7549(6) 0.7251(4) 0.160(6) Uani 1 1 d D U . . .
F3_25 F 0.1288(6) 0.7603(7) 0.7426(3) 0.209(8) Uani 1 1 d D U . . .
F4_25 F 0.0757(6) 0.6723(4) 0.7272(3) 0.135(5) Uani 1 1 d D U . . .
F5_25 F 0.1025(5) 0.7362(5) 0.6873(2) 0.101(4) Uani 1 1 d D U . . .
B1_26 B 0.4481(5) 0.5638(5) 0.7433(3) 0.126(8) Uani 1 1 d D U . . .
F2_26 F 0.4344(8) 0.5188(6) 0.7183(3) 0.219(8) Uani 1 1 d D U . . .
F3_26 F 0.5036(5) 0.5942(6) 0.7373(4) 0.174(6) Uani 1 1 d D U . . .
F4_26 F 0.4504(6) 0.5406(5) 0.7748(3) 0.128(5) Uani 1 1 d D U . . .
F5_26 F 0.4039(6) 0.6010(6) 0.7429(3) 0.151(6) Uani 1 1 d D U . . .
B1_27 B 0.0524(7) 0.2909(7) 0.5911(4) 0.258(13) Uani 1 1 d D U . . .
F2_27 F 0.0281(11) 0.3216(10) 0.6176(6) 0.331(12) Uani 1 1 d D U . . .
F3_27 F 0.0762(10) 0.2436(8) 0.6036(5) 0.258(9) Uani 1 1 d D U . . .
F4_27 F 0.0078(9) 0.2715(11) 0.5665(6) 0.314(11) Uani 1 1 d D U . . .
F5_27 F 0.0977(9) 0.3268(8) 0.5768(6) 0.275(10) Uani 1 1 d D U . . .
B1_28 B 0.3887(6) 0.1318(5) 0.2240(4) 0.171(9) Uani 1 1 d D U . . .
F2_28 F 0.3386(7) 0.0938(5) 0.2307(5) 0.190(7) Uani 1 1 d D U . . .
F3_28 F 0.3829(6) 0.1874(4) 0.2379(3) 0.117(4) Uani 1 1 d D U . . .
F4_28 F 0.4398(7) 0.1126(7) 0.2379(6) 0.267(9) Uani 1 1 d D U . . .
F5_28 F 0.3938(11) 0.1334(8) 0.1890(3) 0.288(10) Uani 1 1 d D U . . .
B1_29 B 0.0682(5) 0.5800(6) 0.9351(3) 0.152(9) Uani 1 1 d D U . . .
F2_29 F 0.1226(5) 0.5621(7) 0.9452(4) 0.206(8) Uani 1 1 d D U . . .
F3_29 F 0.0760(6) 0.6096(6) 0.9057(3) 0.158(6) Uani 1 1 d D U . . .
F4_29 F 0.0249(6) 0.5317(6) 0.9293(4) 0.173(6) Uani 1 1 d D U . . .
F5_29 F 0.0495(8) 0.6176(7) 0.9604(4) 0.217(8) Uani 1 1 d D U . . .
B1_30 B 0.7479(8) 0.8523(8) 0.9713(5) 0.321(15) Uani 1 1 d D U . . .
F2_30 F 0.7980(10) 0.8887(10) 0.9621(7) 0.311(11) Uani 1 1 d D U . . .
F3_30 F 0.7080(11) 0.8857(12) 0.9873(7) 0.358(13) Uani 1 1 d D U . . .
F4_30 F 0.7656(12) 0.8125(10) 0.9934(6) 0.332(12) Uani 1 1 d D U . . .
F5_30 F 0.7202(11) 0.8221(11) 0.9423(6) 0.340(12) Uani 1 1 d D U . . .
B1_31 B 0.9833(7) 0.1572(7) 0.1294(4) 0.224(11) Uani 1 1 d D U . . .
F2_31 F 0.9701(10) 0.1528(10) 0.0947(4) 0.275(10) Uani 1 1 d D U . . .
F3_31 F 0.9744(9) 0.1021(7) 0.1417(5) 0.237(8) Uani 1 1 d D U . . .
F4_31 F 0.9464(10) 0.1936(9) 0.1455(6) 0.321(11) Uani 1 1 d D U . . .
F5_31 F 1.0431(7) 0.1803(9) 0.1353(5) 0.253(9) Uani 1 1 d D U . . .
B1_32 B 0.7992(7) 0.9106(6) 0.2569(4) 0.094(10) Uani 0.67(3) 1 d D U P A 1
F2_32 F 0.7951(10) 0.9062(10) 0.2216(3) 0.090(9) Uani 0.67(3) 1 d D U P A 1
F3_32 F 0.8120(12) 0.9688(6) 0.2685(5) 0.150(10) Uani 0.67(3) 1 d D U P A 1
F4_32 F 0.7450(7) 0.8873(9) 0.2697(4) 0.104(8) Uani 0.67(3) 1 d D U P A 1
F5_32 F 0.8446(8) 0.8798(11) 0.2679(6) 0.147(11) Uani 0.67(3) 1 d D U P A 1
B1_33 B 0.8051(11) 0.9167(11) 0.2590(6) 0.085(16) Uani 0.33(3) 1 d D U P A 2
F2_33 F 0.803(2) 0.8990(19) 0.2247(6) 0.097(17) Uani 0.33(3) 1 d D U P A 2
F3_33 F 0.8588(13) 0.9518(15) 0.2674(9) 0.090(15) Uani 0.33(3) 1 d D U P A 2
F4_33 F 0.7574(14) 0.948(2) 0.2660(11) 0.118(17) Uani 0.33(3) 1 d D U P A 2
F5_33 F 0.801(2) 0.8682(12) 0.2782(9) 0.098(15) Uani 0.33(3) 1 d D U P A 2
B1_34 B 0.3654(8) 0.9430(8) 0.9315(5) 0.148(13) Uani 0.582(17) 1 d D U P B 3
F2_34 F 0.3920(11) 0.9940(8) 0.9187(6) 0.138(10) Uani 0.582(17) 1 d D U P B 3
F3_34 F 0.4063(11) 0.9223(12) 0.9535(7) 0.208(13) Uani 0.582(17) 1 d D U P B 3
F4_34 F 0.3490(12) 0.9014(9) 0.9051(6) 0.147(11) Uani 0.582(17) 1 d D U P B 3
F5_34 F 0.3146(10) 0.9543(11) 0.9489(7) 0.187(12) Uani 0.582(17) 1 d D U P B 3
B1_35 B 0.4167(13) 0.9347(11) 0.9049(7) 0.206(18) Uani 0.418(17) 1 d D U P B 4
F2_35 F 0.4293(18) 0.9872(13) 0.9243(9) 0.170(16) Uani 0.418(17) 1 d D U P B 4
F3_35 F 0.4691(16) 0.9087(18) 0.9012(12) 0.241(18) Uani 0.418(17) 1 d D U P B 4
F4_35 F 0.3746(18) 0.8981(14) 0.9212(10) 0.180(17) Uani 0.418(17) 1 d D U P B 4
F5_35 F 0.394(2) 0.9449(19) 0.8732(8) 0.223(18) Uani 0.418(17) 1 d D U P B 4
B1_36 B 0.9111(11) 0.9580(10) 0.4065(6) 0.095(13) Uani 0.426(18) 1 d D U P C 5
F2_36 F 0.8787(12) 0.9124(12) 0.3869(7) 0.119(12) Uani 0.426(18) 1 d D U P C 5
F3_36 F 0.9614(13) 0.9387(15) 0.4214(11) 0.095(12) Uani 0.426(18) 1 d D U P C 5
F4_36 F 0.8751(14) 0.9780(15) 0.4318(8) 0.113(14) Uani 0.426(18) 1 d D U P C 5
F5_36 F 0.929(2) 1.0030(14) 0.3860(9) 0.142(16) Uani 0.426(18) 1 d D U P C 5
B1_37 B 0.9237(7) 1.0012(7) 0.4107(4) 0.073(9) Uani 0.574(18) 1 d D U P C 6
F2_37 F 0.8632(7) 0.9844(9) 0.4161(6) 0.081(8) Uani 0.574(18) 1 d D U P C 6
F3_37 F 0.9579(10) 0.9600(8) 0.4226(7) 0.086(9) Uani 0.574(18) 1 d D U P C 6
F4_37 F 0.9414(8) 1.0548(7) 0.4280(5) 0.099(8) Uani 0.574(18) 1 d D U P C 6
F5_37 F 0.9320(12) 1.0055(10) 0.3761(4) 0.098(9) Uani 0.574(18) 1 d D U P C 6
B1_38 B 0.4424(12) 0.4623(9) 0.0768(6) 0.072(13) Uani 0.40(3) 1 d D U P D 7
F2_38 F 0.4306(12) 0.4093(12) 0.0915(11) 0.087(13) Uani 0.40(3) 1 d D U P D 7
F3_38 F 0.4841(19) 0.4574(17) 0.0516(8) 0.081(13) Uani 0.40(3) 1 d D U P D 7
F4_38 F 0.3894(17) 0.4774(15) 0.0627(11) 0.085(14) Uani 0.40(3) 1 d D U P D 7
F5_38 F 0.4656(15) 0.5048(14) 0.1016(8) 0.099(14) Uani 0.40(3) 1 d D U P D 7
B1_39 B 0.4351(9) 0.4576(7) 0.0726(4) 0.069(10) Uani 0.60(3) 1 d D U P D 8
F2_39 F 0.3888(12) 0.4906(10) 0.0657(7) 0.085(10) Uani 0.60(3) 1 d D U P D 8
F3_39 F 0.4860(12) 0.4782(11) 0.0556(6) 0.091(10) Uani 0.60(3) 1 d D U P D 8
F4_39 F 0.4480(11) 0.4618(14) 0.1074(3) 0.101(10) Uani 0.60(3) 1 d D U P D 8
F5_39 F 0.4171(10) 0.3998(7) 0.0619(8) 0.114(11) Uani 0.60(3) 1 d D U P D 8
B1_40 B 0.6540(4) 0.0055(4) 0.5148(3) 0.077(6) Uani 1 1 d D U . . .
F2_40 F 0.6482(4) 0.0481(4) 0.5405(2) 0.076(3) Uani 1 1 d D U . . .
F3_40 F 0.6008(4) -0.0063(4) 0.4953(2) 0.082(4) Uani 1 1 d D U . . .
F4_40 F 0.7005(4) 0.0254(6) 0.4943(3) 0.139(5) Uani 1 1 d D U . . .
F5_40 F 0.6666(6) -0.0449(4) 0.5290(3) 0.135(5) Uani 1 1 d D U . . .
N1_42 N 0.3413(8) 0.3885(8) 0.5146(5) 0.086(6) Uani 1 1 d D U . . .
C2_42 C 0.3727(9) 0.4307(9) 0.5220(6) 0.069(7) Uani 1 1 d D U . . .
C3_42 C 0.4150(10) 0.4838(9) 0.5295(6) 0.113(9) Uani 1 1 d D U . . .
H3A_42 H 0.451605 0.481423 0.516094 0.169 Uiso 1 1 calc R U . . .
H3B_42 H 0.426347 0.487688 0.554107 0.169 Uiso 1 1 calc R U . . .
H3C_42 H 0.395647 0.518250 0.523331 0.169 Uiso 1 1 calc R U . . .
N1_43 N 0.3738(10) 0.4168(9) 0.9208(5) 0.106(7) Uani 1 1 d D U . . .
C2_43 C 0.3892(11) 0.4307(10) 0.9481(5) 0.085(7) Uani 1 1 d D U . . .
C3_43 C 0.4109(10) 0.4483(9) 0.9835(5) 0.085(7) Uani 1 1 d D U . . .
H3A_43 H 0.416645 0.413147 0.995721 0.127 Uiso 1 1 calc R U . . .
H3B_43 H 0.380892 0.469902 0.995219 0.127 Uiso 1 1 calc R U . . .
H3C_43 H 0.449809 0.473810 0.983234 0.127 Uiso 1 1 calc R U . . .
O1_51 O 0.5558(9) 0.1024(13) 0.7383(7) 0.204(8) Uani 1 1 d D U . . .
C2_51 C 0.6055(14) 0.1478(13) 0.7328(8) 0.172(9) Uani 1 1 d D U . . .
H2A_51 H 0.597089 0.186538 0.743201 0.206 Uiso 1 1 calc R U . . .
H2B_51 H 0.611903 0.151256 0.707932 0.206 Uiso 1 1 calc R U . . .
C3_51 C 0.6586(12) 0.1285(13) 0.7498(8) 0.173(9) Uani 1 1 d D U . . .
H3A_51 H 0.697241 0.147827 0.741216 0.207 Uiso 1 1 calc R U . . .
H3B_51 H 0.658296 0.135534 0.775136 0.207 Uiso 1 1 calc R U . . .
C4_51 C 0.6488(13) 0.0662(13) 0.7392(9) 0.176(9) Uani 1 1 d D U . . .
H4A_51 H 0.669757 0.043175 0.755526 0.212 Uiso 1 1 calc R U . . .
H4B_51 H 0.664173 0.058825 0.715916 0.212 Uiso 1 1 calc R U . . .
C5_51 C 0.5831(14) 0.0502(12) 0.7394(9) 0.181(9) Uani 1 1 d D U . . .
H5A_51 H 0.569258 0.023038 0.719126 0.217 Uiso 1 1 calc R U . . .
H5B_51 H 0.571773 0.030087 0.760478 0.217 Uiso 1 1 calc R U . . .
O1_52 O 0.2109(10) 0.4391(11) 0.7191(7) 0.129(9) Uani 0.670(19) 1 d D U P . .
C2_52 C 0.2607(13) 0.4162(13) 0.7343(7) 0.088(9) Uani 0.670(19) 1 d D U P . .
H2A_52 H 0.252910 0.372592 0.733601 0.106 Uiso 0.670(19) 1 calc R U P . .
H2B_52 H 0.266947 0.431509 0.758622 0.106 Uiso 0.670(19) 1 calc R U P . .
C3_52 C 0.3137(13) 0.4341(18) 0.7152(9) 0.130(11) Uani 0.670(19) 1 d D U P . .
H3A_52 H 0.333980 0.399358 0.707835 0.156 Uiso 0.670(19) 1 calc R U P . .
H3B_52 H 0.342972 0.461966 0.729628 0.156 Uiso 0.670(19) 1 calc R U P . .
C4_52 C 0.2934(14) 0.4627(17) 0.6849(8) 0.122(11) Uani 0.670(19) 1 d D U P . .
H4A_52 H 0.306415 0.505776 0.687294 0.146 Uiso 0.670(19) 1 calc R U P . .
H4B_52 H 0.310055 0.446019 0.663645 0.146 Uiso 0.670(19) 1 calc R U P . .
C5_52 C 0.2285(15) 0.4505(19) 0.6844(8) 0.134(11) Uani 0.670(19) 1 d D U P . .
H5A_52 H 0.214807 0.415686 0.668496 0.161 Uiso 0.670(19) 1 calc R U P . .
H5B_52 H 0.209749 0.484659 0.676452 0.161 Uiso 0.670(19) 1 calc R U P . .
O1_53 O 0.8957(17) 0.4656(18) 0.4020(9) 0.240(15) Uani 0.76(2) 1 d D U P . .
C2_53 C 0.886(2) 0.520(2) 0.3864(13) 0.234(16) Uani 0.76(2) 1 d D U P . .
H2A_53 H 0.888688 0.552640 0.404420 0.281 Uiso 0.76(2) 1 calc R U P . .
H2B_53 H 0.844464 0.515509 0.375439 0.281 Uiso 0.76(2) 1 calc R U P . .
C3_53 C 0.931(2) 0.5329(18) 0.3608(12) 0.227(16) Uani 0.76(2) 1 d D U P . .
H3A_53 H 0.963418 0.564394 0.369641 0.272 Uiso 0.76(2) 1 calc R U P . .
H3B_53 H 0.912349 0.544855 0.339362 0.272 Uiso 0.76(2) 1 calc R U P . .
C4_53 C 0.955(2) 0.476(2) 0.3551(11) 0.223(16) Uani 0.76(2) 1 d D U P . .
H4A_53 H 0.944997 0.460168 0.331165 0.267 Uiso 0.76(2) 1 calc R U P . .
H4B_53 H 1.000130 0.482366 0.358140 0.267 Uiso 0.76(2) 1 calc R U P . .
C5_53 C 0.930(2) 0.4332(16) 0.3789(13) 0.202(15) Uani 0.76(2) 1 d D U P . .
H5A_53 H 0.904000 0.400116 0.366402 0.243 Uiso 0.76(2) 1 calc R U P . .
H5B_53 H 0.963418 0.417108 0.391515 0.243 Uiso 0.76(2) 1 calc R U P . .
O1_54 O 0.4811(12) 0.8818(12) 1.0523(6) 0.145(10) Uani 0.74(2) 1 d D U P . .
C2_54 C 0.4735(18) 0.9295(16) 1.0316(10) 0.172(13) Uani 0.74(2) 1 d D U P . .
H2A_54 H 0.477179 0.967204 1.045934 0.207 Uiso 0.74(2) 1 calc R U P . .
H2B_54 H 0.433091 0.923455 1.019536 0.207 Uiso 0.74(2) 1 calc R U P . .
C3_54 C 0.522(2) 0.9300(16) 1.0071(10) 0.175(13) Uani 0.74(2) 1 d D U P . .
H3A_54 H 0.510303 0.948298 0.985939 0.210 Uiso 0.74(2) 1 calc R U P . .
H3B_54 H 0.560002 0.952448 1.017238 0.210 Uiso 0.74(2) 1 calc R U P . .
C4_54 C 0.530(2) 0.8691(18) 0.9996(9) 0.179(13) Uani 0.74(2) 1 d D U P . .
H4A_54 H 0.571584 0.864652 0.991938 0.215 Uiso 0.74(2) 1 calc R U P . .
H4B_54 H 0.499671 0.849592 0.982074 0.215 Uiso 0.74(2) 1 calc R U P . .
C5_54 C 0.5195(18) 0.8465(17) 1.0336(10) 0.165(13) Uani 0.74(2) 1 d D U P . .
H5A_54 H 0.500125 0.805078 1.030977 0.198 Uiso 0.74(2) 1 calc R U P . .
H5B_54 H 0.558946 0.847339 1.046436 0.198 Uiso 0.74(2) 1 calc R U P . .
O1_55 O 0.171(2) 0.9772(19) 0.8290(15) 0.378(16) Uani 1 1 d D U . . .
C2_55 C 0.182(3) 0.925(3) 0.8089(14) 0.380(17) Uani 1 1 d D U . . .
H2A_55 H 0.185227 0.933149 0.784302 0.455 Uiso 1 1 calc R U . . .
H2B_55 H 0.148892 0.892754 0.811218 0.455 Uiso 1 1 calc R U . . .
C3_55 C 0.240(2) 0.909(2) 0.8224(18) 0.383(17) Uani 1 1 d D U . . .
H3A_55 H 0.275007 0.938805 0.818873 0.460 Uiso 1 1 calc R U . . .
H3B_55 H 0.248008 0.869273 0.813862 0.460 Uiso 1 1 calc R U . . .
C4_55 C 0.218(3) 0.911(3) 0.8577(15) 0.379(17) Uani 1 1 d D U . . .
H4A_55 H 0.182652 0.881725 0.860437 0.454 Uiso 1 1 calc R U . . .
H4B_55 H 0.250960 0.905967 0.874679 0.454 Uiso 1 1 calc R U . . .
C5_55 C 0.202(3) 0.971(2) 0.8608(13) 0.381(17) Uani 1 1 d D U . . .
H5A_55 H 0.174770 0.976672 0.880375 0.457 Uiso 1 1 calc R U . . .
H5B_55 H 0.238481 1.000844 0.864117 0.457 Uiso 1 1 calc R U . . .
O1_56 O 0.1699(16) 0.5399(12) 0.2621(8) 0.150(12) Uani 0.63(2) 1 d D U P . .
C2_56 C 0.2052(16) 0.5925(18) 0.2523(12) 0.154(13) Uani 0.63(2) 1 d D U P . .
H2A_56 H 0.230656 0.611187 0.272270 0.185 Uiso 0.63(2) 1 calc R U P . .
H2B_56 H 0.232552 0.582576 0.233702 0.185 Uiso 0.63(2) 1 calc R U P . .
C3_56 C 0.167(2) 0.6319(15) 0.2410(12) 0.148(13) Uani 0.63(2) 1 d D U P . .
H3A_56 H 0.169519 0.635822 0.215869 0.177 Uiso 0.63(2) 1 calc R U P . .
H3B_56 H 0.176434 0.671280 0.253148 0.177 Uiso 0.63(2) 1 calc R U P . .
C4_56 C 0.1062(17) 0.6050(18) 0.2493(13) 0.160(13) Uani 0.63(2) 1 d D U P . .
H4A_56 H 0.091546 0.627523 0.269270 0.192 Uiso 0.63(2) 1 calc R U P . .
H4B_56 H 0.077577 0.606724 0.229506 0.192 Uiso 0.63(2) 1 calc R U P . .
C5_56 C 0.1068(16) 0.5442(17) 0.2573(13) 0.157(13) Uani 0.63(2) 1 d D U P . .
H5A_56 H 0.084662 0.535753 0.278550 0.188 Uiso 0.63(2) 1 calc R U P . .
H5B_56 H 0.088525 0.516743 0.238136 0.188 Uiso 0.63(2) 1 calc R U P . .
O1_57 O 0.1556(14) 0.5395(15) 0.7906(9) 0.207(14) Uani 0.76(2) 1 d D U P . .
C2_57 C 0.1483(19) 0.4915(19) 0.8130(12) 0.200(15) Uani 0.76(2) 1 d D U P . .
H2A_57 H 0.177928 0.499226 0.832766 0.240 Uiso 0.76(2) 1 calc R U P . .
H2B_57 H 0.155275 0.454163 0.800387 0.240 Uiso 0.76(2) 1 calc R U P . .
C3_57 C 0.087(2) 0.487(2) 0.8250(12) 0.210(16) Uani 0.76(2) 1 d D U P . .
H3A_57 H 0.086568 0.499137 0.849894 0.252 Uiso 0.76(2) 1 calc R U P . .
H3B_57 H 0.065890 0.446672 0.820815 0.252 Uiso 0.76(2) 1 calc R U P . .
C4_57 C 0.0582(15) 0.529(2) 0.8040(13) 0.218(15) Uani 0.76(2) 1 d D U P . .
H4A_57 H 0.020135 0.508871 0.792704 0.261 Uiso 0.76(2) 1 calc R U P . .
H4B_57 H 0.047201 0.562263 0.819394 0.261 Uiso 0.76(2) 1 calc R U P . .
C5_57 C 0.098(2) 0.553(2) 0.7779(11) 0.211(15) Uani 0.76(2) 1 d D U P . .
H5A_57 H 0.087165 0.533033 0.754911 0.254 Uiso 0.76(2) 1 calc R U P . .
H5B_57 H 0.097707 0.595996 0.776802 0.254 Uiso 0.76(2) 1 calc R U P . .
O1_58 O 0.941(3) 0.103(2) 0.3112(13) 0.39(2) Uani 0.91(3) 1 d D U P . .
C2_58 C 1.005(3) 0.104(3) 0.3195(18) 0.38(2) Uani 0.91(3) 1 d D U P . .
H2A_58 H 1.029106 0.118530 0.300168 0.455 Uiso 0.91(3) 1 calc R U P . .
H2B_58 H 1.014400 0.064171 0.324123 0.455 Uiso 0.91(3) 1 calc R U P . .
C3_58 C 1.017(2) 0.144(3) 0.3501(17) 0.36(2) Uani 0.91(3) 1 d D U P . .
H3A_58 H 1.037109 0.123873 0.368171 0.437 Uiso 0.91(3) 1 calc R U P . .
H3B_58 H 1.045558 0.178759 0.344424 0.437 Uiso 0.91(3) 1 calc R U P . .
C4_58 C 0.962(4) 0.164(3) 0.3630(13) 0.36(2) Uani 0.91(3) 1 d D U P . .
H4A_58 H 0.959117 0.160172 0.388090 0.437 Uiso 0.91(3) 1 calc R U P . .
H4B_58 H 0.958440 0.205083 0.357688 0.437 Uiso 0.91(3) 1 calc R U P . .
C5_58 C 0.917(2) 0.123(3) 0.3438(18) 0.38(2) Uani 0.91(3) 1 d D U P . .
H5A_58 H 0.880008 0.142202 0.339408 0.458 Uiso 0.91(3) 1 calc R U P . .
H5B_58 H 0.905172 0.088573 0.357585 0.458 Uiso 0.91(3) 1 calc R U P . .
O1_59 O 0.6321(11) 0.1611(11) 0.2198(7) 0.154(10) Uani 0.80(2) 1 d D U P . .
C2_59 C 0.5966(17) 0.1111(15) 0.2266(9) 0.172(12) Uani 0.80(2) 1 d D U P . .
H2A_59 H 0.574544 0.120285 0.247632 0.207 Uiso 0.80(2) 1 calc R U P . .
H2B_59 H 0.624289 0.082056 0.232523 0.207 Uiso 0.80(2) 1 calc R U P . .
C3_59 C 0.5534(15) 0.0824(15) 0.2024(10) 0.155(12) Uani 0.80(2) 1 d D U P . .
H3A_59 H 0.518352 0.104449 0.198221 0.186 Uiso 0.80(2) 1 calc R U P . .
H3B_59 H 0.539533 0.041011 0.207122 0.186 Uiso 0.80(2) 1 calc R U P . .
C4_59 C 0.5982(17) 0.0882(16) 0.1768(9) 0.176(12) Uani 0.80(2) 1 d D U P . .
H4A_59 H 0.579704 0.101108 0.155548 0.212 Uiso 0.80(2) 1 calc R U P . .
H4B_59 H 0.612296 0.049377 0.171247 0.212 Uiso 0.80(2) 1 calc R U P . .
C5_59 C 0.6502(16) 0.1310(17) 0.1886(9) 0.181(13) Uani 0.80(2) 1 d D U P . .
H5A_59 H 0.686334 0.110649 0.193325 0.217 Uiso 0.80(2) 1 calc R U P . .
H5B_59 H 0.660409 0.159439 0.170889 0.217 Uiso 0.80(2) 1 calc R U P . .


_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 N8_3 1.949(15) . ?
Fe1 N28_1 1.983(12) . ?
Fe1 N21_1 1.981(12) . ?
Fe1 N1_2 1.990(15) . ?
Fe1 N1_3 2.022(15) . ?
Fe1 N8_2 2.033(16) . ?
Fe2 N8_6 1.948(14) . ?
Fe2 N21_2 1.968(16) . ?
Fe2 N21_4 1.981(16) . ?
Fe2 N1_6 1.994(14) . ?
Fe2 N28_2 2.022(13) . ?
Fe2 N28_4 2.021(15) . ?
Fe3 N1_1 1.973(12) . ?
Fe3 N1_5 1.978(15) . ?
Fe3 N8_1 1.991(12) . ?
Fe3 N8_5 2.009(16) . ?
Fe3 N1_4 2.018(14) . ?
Fe3 N8_4 2.036(15) . ?
Fe4 N21_3 1.959(16) . ?
Fe4 N21_6 1.966(17) . ?
Fe4 N28_6 1.979(16) . ?
Fe4 N21_5 1.984(15) . ?
Fe4 N28_3 2.003(16) . ?
Fe4 N28_5 2.004(15) . ?
N1_1 C6_1 1.354(13) . ?
N1_1 C2_1 1.362(13) . ?
C2_1 C3_1 1.426(14) . ?
C2_1 H2_1 0.9500 . ?
C3_1 C4_1 1.370(14) . ?
C3_1 H3_1 0.9500 . ?
C4_1 C5_1 1.407(14) . ?
C4_1 H4_1 0.9500 . ?
C5_1 C6_1 1.391(14) . ?
C5_1 H5_1 0.9500 . ?
C6_1 C7_1 1.454(14) . ?
C7_1 N8_1 1.313(12) . ?
C7_1 H7_1 0.9500 . ?
N8_1 N9_1 1.412(11) . ?
N9_1 C10_1 1.416(12) . ?
N9_1 C15_1 1.423(12) . ?
C10_1 O11_1 1.222(11) . ?
C10_1 C12_1 1.454(13) . ?
C12_1 C17_1 1.389(13) . ?
C12_1 C13_1 1.416(13) . ?
C13_1 C33_1 1.416(13) . ?
C13_1 C14_1 1.428(13) . ?
C14_1 C18_1 1.370(12) . ?
C14_1 C15_1 1.463(13) . ?
C15_1 O16_1 1.210(11) . ?
C17_1 C38_1 1.389(13) . ?
C17_1 H17_1 0.9500 . ?
C18_1 C37_1 1.440(13) . ?
C18_1 H18_1 0.9500 . ?
N21_1 C26_1 1.345(14) . ?
N21_1 C22_1 1.369(14) . ?
C22_1 C23_1 1.388(15) . ?
C22_1 H22_1 0.9500 . ?
C23_1 C24_1 1.370(15) . ?
C23_1 H23_1 0.9500 . ?
C24_1 C25_1 1.435(15) . ?
C24_1 H24_1 0.9500 . ?
C25_1 C26_1 1.387(15) . ?
C25_1 H25_1 0.9500 . ?
C26_1 C27_1 1.468(14) . ?
C27_1 N28_1 1.339(13) . ?
C27_1 H27_1 0.9500 . ?
N28_1 N29_1 1.435(11) . ?
N29_1 C35_1 1.385(12) . ?
N29_1 C30_1 1.469(13) . ?
C30_1 O31_1 1.199(12) . ?
C30_1 C32_1 1.443(14) . ?
C32_1 C37_1 1.395(13) . ?
C32_1 C33_1 1.409(13) . ?
C33_1 C34_1 1.432(13) . ?
C34_1 C38_1 1.385(13) . ?
C34_1 C35_1 1.470(13) . ?
C35_1 O36_1 1.249(12) . ?
C37_1 H37_1 0.9500 . ?
C38_1 H38_1 0.9500 . ?
N1_2 C6_2 1.35(2) . ?
N1_2 C2_2 1.36(2) . ?
C2_2 C3_2 1.41(2) . ?
C2_2 H2_2 0.9500 . ?
C3_2 C4_2 1.35(3) . ?
C3_2 H3_2 0.9500 . ?
C4_2 C5_2 1.36(2) . ?
C4_2 H4_2 0.9500 . ?
C5_2 C6_2 1.41(2) . ?
C5_2 H5_2 0.9500 . ?
C6_2 C7_2 1.45(2) . ?
C7_2 N8_2 1.30(2) . ?
C7_2 H7_2 0.9500 . ?
N8_2 N9_2 1.483(18) . ?
N9_2 C15_2 1.41(2) . ?
N9_2 C10_2 1.42(2) . ?
C10_2 O11_2 1.199(19) . ?
C10_2 C12_2 1.49(2) . ?
C12_2 C13_2 1.41(2) . ?
C12_2 C17_2 1.43(2) . ?
C13_2 C33_2 1.35(2) . ?
C13_2 C14_2 1.43(2) . ?
C14_2 C18_2 1.37(2) . ?
C14_2 C15_2 1.42(2) . ?
C15_2 O16_2 1.241(19) . ?
C17_2 C38_2 1.41(2) . ?
C17_2 H17_2 0.9500 . ?
C18_2 C37_2 1.43(2) . ?
C18_2 H18_2 0.9500 . ?
N21_2 C22_2 1.35(2) . ?
N21_2 C26_2 1.39(2) . ?
C22_2 C23_2 1.40(3) . ?
C22_2 H22_2 0.9500 . ?
C23_2 C24_2 1.39(3) . ?
C23_2 H23_2 0.9500 . ?
C24_2 C25_2 1.42(3) . ?
C24_2 H24_2 0.9500 . ?
C25_2 C26_2 1.38(2) . ?
C25_2 H25_2 0.9500 . ?
C26_2 C27_2 1.44(2) . ?
C27_2 N28_2 1.32(2) . ?
C27_2 H27_2 0.9500 . ?
N28_2 N29_2 1.415(18) . ?
N29_2 C35_2 1.36(2) . ?
N29_2 C30_2 1.49(2) . ?
C30_2 O31_2 1.207(19) . ?
C30_2 C32_2 1.46(2) . ?
C32_2 C33_2 1.40(2) . ?
C32_2 C37_2 1.40(2) . ?
C33_2 C34_2 1.45(2) . ?
C34_2 C38_2 1.39(2) . ?
C34_2 C35_2 1.46(2) . ?
C35_2 O36_2 1.255(19) . ?
C37_2 H37_2 0.9500 . ?
C38_2 H38_2 0.9500 . ?
N1_3 C2_3 1.34(2) . ?
N1_3 C6_3 1.39(2) . ?
C2_3 C3_3 1.35(2) . ?
C2_3 H2_3 0.9500 . ?
C3_3 C4_3 1.38(2) . ?
C3_3 H3_3 0.9500 . ?
C4_3 C5_3 1.41(2) . ?
C4_3 H4_3 0.9500 . ?
C5_3 C6_3 1.39(2) . ?
C5_3 H5_3 0.9500 . ?
C6_3 C7_3 1.43(2) . ?
C7_3 N8_3 1.32(2) . ?
C7_3 H7_3 0.9500 . ?
N8_3 N9_3 1.469(18) . ?
N9_3 C15_3 1.41(2) . ?
N9_3 C10_3 1.45(2) . ?
C10_3 O11_3 1.22(2) . ?
C10_3 C12_3 1.48(2) . ?
C12_3 C17_3 1.39(2) . ?
C12_3 C13_3 1.41(2) . ?
C13_3 C33_3 1.38(2) . ?
C13_3 C14_3 1.44(2) . ?
C14_3 C15_3 1.46(2) . ?
C14_3 C18_3 1.47(3) . ?
C15_3 O16_3 1.238(19) . ?
C17_3 C38_3 1.44(2) . ?
C17_3 H17_3 0.9500 . ?
C18_3 C37_3 1.34(2) . ?
C18_3 H18_3 0.9500 . ?
N21_3 C22_3 1.30(2) . ?
N21_3 C26_3 1.42(2) . ?
C22_3 C23_3 1.47(3) . ?
C22_3 H22_3 0.9500 . ?
C23_3 C24_3 1.38(3) . ?
C23_3 H23_3 0.9500 . ?
C24_3 C25_3 1.42(3) . ?
C24_3 H24_3 0.9500 . ?
C25_3 C26_3 1.35(3) . ?
C25_3 H25_3 0.9500 . ?
C26_3 C27_3 1.41(2) . ?
C27_3 N28_3 1.28(2) . ?
C27_3 H27_3 0.9500 . ?
N28_3 N29_3 1.464(19) . ?
N29_3 C35_3 1.37(2) . ?
N29_3 C30_3 1.37(2) . ?
C30_3 O31_3 1.29(2) . ?
C30_3 C32_3 1.49(3) . ?
C32_3 C37_3 1.38(2) . ?
C32_3 C33_3 1.44(3) . ?
C33_3 C34_3 1.39(2) . ?
C34_3 C38_3 1.36(2) . ?
C34_3 C35_3 1.49(2) . ?
C35_3 O36_3 1.195(19) . ?
C37_3 H37_3 0.9500 . ?
C38_3 H38_3 0.9500 . ?
N1_4 C2_4 1.36(2) . ?
N1_4 C6_4 1.37(2) . ?
C2_4 C3_4 1.42(2) . ?
C2_4 H2_4 0.9500 . ?
C3_4 C4_4 1.38(2) . ?
C3_4 H3_4 0.9500 . ?
C4_4 C5_4 1.39(2) . ?
C4_4 H4_4 0.9500 . ?
C5_4 C6_4 1.36(2) . ?
C5_4 H5_4 0.9500 . ?
C6_4 C7_4 1.45(2) . ?
C7_4 N8_4 1.31(2) . ?
C7_4 H7_4 0.9500 . ?
N8_4 N9_4 1.443(18) . ?
N9_4 C10_4 1.37(2) . ?
N9_4 C15_4 1.46(2) . ?
C10_4 O11_4 1.267(18) . ?
C10_4 C12_4 1.49(2) . ?
C12_4 C17_4 1.32(2) . ?
C12_4 C13_4 1.44(2) . ?
C13_4 C14_4 1.37(2) . ?
C13_4 C33_4 1.41(2) . ?
C14_4 C18_4 1.42(2) . ?
C14_4 C15_4 1.45(2) . ?
C15_4 O16_4 1.212(19) . ?
C17_4 C38_4 1.39(2) . ?
C17_4 H17_4 0.9500 . ?
C18_4 C37_4 1.40(2) . ?
C18_4 H18_4 0.9500 . ?
N21_4 C22_4 1.35(2) . ?
N21_4 C26_4 1.38(2) . ?
C22_4 C23_4 1.44(2) . ?
C22_4 H22_4 0.9500 . ?
C23_4 C24_4 1.38(2) . ?
C23_4 H23_4 0.9500 . ?
C24_4 C25_4 1.40(2) . ?
C24_4 H24_4 0.9500 . ?
C25_4 C26_4 1.36(2) . ?
C25_4 H25_4 0.9500 . ?
C26_4 C27_4 1.49(2) . ?
C27_4 N28_4 1.24(2) . ?
C27_4 H27_4 0.9500 . ?
N28_4 N29_4 1.420(18) . ?
N29_4 C30_4 1.36(2) . ?
N29_4 C35_4 1.48(2) . ?
C30_4 O31_4 1.253(18) . ?
C30_4 C32_4 1.46(2) . ?
C32_4 C37_4 1.35(2) . ?
C32_4 C33_4 1.48(2) . ?
C33_4 C34_4 1.38(2) . ?
C34_4 C35_4 1.43(2) . ?
C34_4 C38_4 1.44(2) . ?
C35_4 O36_4 1.248(19) . ?
C37_4 H37_4 0.9500 . ?
C38_4 H38_4 0.9500 . ?
N1_5 C6_5 1.36(2) . ?
N1_5 C2_5 1.41(2) . ?
C2_5 C3_5 1.38(2) . ?
C2_5 H2_5 0.9500 . ?
C3_5 C4_5 1.36(2) . ?
C3_5 H3_5 0.9500 . ?
C4_5 C5_5 1.39(3) . ?
C4_5 H4_5 0.9500 . ?
C5_5 C6_5 1.42(2) . ?
C5_5 H5_5 0.9500 . ?
C6_5 C7_5 1.43(2) . ?
C7_5 N8_5 1.30(2) . ?
C7_5 H7_5 0.9500 . ?
N8_5 N9_5 1.424(19) . ?
N9_5 C15_5 1.40(2) . ?
N9_5 C10_5 1.43(2) . ?
C10_5 O11_5 1.20(2) . ?
C10_5 C12_5 1.52(3) . ?
C12_5 C17_5 1.40(2) . ?
C12_5 C13_5 1.42(2) . ?
C13_5 C14_5 1.42(2) . ?
C13_5 C33_5 1.46(2) . ?
C14_5 C18_5 1.38(2) . ?
C14_5 C15_5 1.49(3) . ?
C15_5 O16_5 1.21(2) . ?
C17_5 C38_5 1.44(2) . ?
C17_5 H17_5 0.9500 . ?
C18_5 C37_5 1.40(2) . ?
C18_5 H18_5 0.9500 . ?
N21_5 C26_5 1.36(2) . ?
N21_5 C22_5 1.39(2) . ?
C22_5 C23_5 1.37(2) . ?
C22_5 H22_5 0.9500 . ?
C23_5 C24_5 1.42(2) . ?
C23_5 H23_5 0.9500 . ?
C24_5 C25_5 1.39(2) . ?
C24_5 H24_5 0.9500 . ?
C25_5 C26_5 1.37(2) . ?
C25_5 H25_5 0.9500 . ?
C26_5 C27_5 1.46(2) . ?
C27_5 N28_5 1.28(2) . ?
C27_5 H27_5 0.9500 . ?
N28_5 N29_5 1.471(19) . ?
N29_5 C35_5 1.38(2) . ?
N29_5 C30_5 1.44(2) . ?
C30_5 O31_5 1.20(2) . ?
C30_5 C32_5 1.54(2) . ?
C32_5 C37_5 1.39(2) . ?
C32_5 C33_5 1.39(2) . ?
C33_5 C34_5 1.44(2) . ?
C34_5 C38_5 1.38(2) . ?
C34_5 C35_5 1.53(3) . ?
C35_5 O36_5 1.18(2) . ?
C37_5 H37_5 0.9500 . ?
C38_5 H38_5 0.9500 . ?
N1_6 C2_6 1.35(2) . ?
N1_6 C6_6 1.36(2) . ?
C2_6 C3_6 1.39(2) . ?
C2_6 H2_6 0.9500 . ?
C3_6 C4_6 1.40(2) . ?
C3_6 H3_6 0.9500 . ?
C4_6 C5_6 1.41(2) . ?
C4_6 H4_6 0.9500 . ?
C5_6 C6_6 1.38(2) . ?
C5_6 H5_6 0.9500 . ?
C6_6 C7_6 1.44(2) . ?
C7_6 N8_6 1.333(19) . ?
C7_6 H7_6 0.9500 . ?
N8_6 N9_6 1.447(18) . ?
N9_6 C10_6 1.35(2) . ?
N9_6 C15_6 1.46(2) . ?
C10_6 O11_6 1.25(2) . ?
C10_6 C12_6 1.48(2) . ?
C12_6 C17_6 1.36(2) . ?
C12_6 C13_6 1.39(2) . ?
C13_6 C14_6 1.40(2) . ?
C13_6 C33_6 1.42(2) . ?
C14_6 C18_6 1.41(2) . ?
C14_6 C15_6 1.49(3) . ?
C15_6 O16_6 1.20(2) . ?
C17_6 C38_6 1.40(2) . ?
C17_6 H17_6 0.9500 . ?
C18_6 C37_6 1.42(2) . ?
C18_6 H18_6 0.9500 . ?
N21_6 C26_6 1.36(2) . ?
N21_6 C22_6 1.39(2) . ?
C22_6 C23_6 1.44(3) . ?
C22_6 H22_6 0.9500 . ?
C23_6 C24_6 1.40(3) . ?
C23_6 H23_6 0.9500 . ?
C24_6 C25_6 1.40(3) . ?
C24_6 H24_6 0.9500 . ?
C25_6 C26_6 1.44(3) . ?
C25_6 H25_6 0.9500 . ?
C26_6 C27_6 1.46(3) . ?
C27_6 N28_6 1.31(2) . ?
C27_6 H27_6 0.9500 . ?
N28_6 N29_6 1.453(19) . ?
N29_6 C30_6 1.37(2) . ?
N29_6 C35_6 1.39(2) . ?
C30_6 O31_6 1.23(2) . ?
C30_6 C32_6 1.52(3) . ?
C32_6 C37_6 1.37(2) . ?
C32_6 C33_6 1.48(2) . ?
C33_6 C34_6 1.40(2) . ?
C34_6 C38_6 1.45(2) . ?
C34_6 C35_6 1.48(3) . ?
C35_6 O36_6 1.19(2) . ?
C37_6 H37_6 0.9500 . ?
C38_6 H38_6 0.9500 . ?
Fe5 N1_8 1.992(17) . ?
Fe5 N1_7 1.996(15) . ?
Fe5 N8_9 2.013(13) . ?
Fe5 N1_9 2.013(13) . ?
Fe5 N8_8 2.017(17) . ?
Fe5 N8_7 2.027(15) . ?
Fe6 N21_7 1.964(17) . ?
Fe6 N1_10 1.983(14) . ?
Fe6 N8_11 1.991(14) . ?
Fe6 N1_11 1.994(16) . ?
Fe6 N28_7 2.022(16) . ?
Fe6 N8_10 2.047(13) . ?
Fe7 N21_10 1.959(16) . ?
Fe7 N21_8 1.98(2) . ?
Fe7 N28_8 1.98(2) . ?
Fe7 N28_10 2.003(15) . ?
Fe7 N1_12 2.029(15) . ?
Fe7 N8_12 2.036(14) . ?
Fe8 N21_11 1.975(17) . ?
Fe8 N28_11 1.987(15) . ?
Fe8 N21_9 1.988(17) . ?
Fe8 N21_12 1.995(17) . ?
Fe8 N28_9 2.019(17) . ?
Fe8 N28_12 2.064(16) . ?
N1_7 C6_7 1.33(2) . ?
N1_7 C2_7 1.37(2) . ?
C2_7 C3_7 1.39(2) . ?
C2_7 H2_7 0.9500 . ?
C3_7 C4_7 1.39(2) . ?
C3_7 H3_7 0.9500 . ?
C4_7 C5_7 1.35(2) . ?
C4_7 H4_7 0.9500 . ?
C5_7 C6_7 1.40(2) . ?
C5_7 H5_7 0.9500 . ?
C6_7 C7_7 1.48(2) . ?
C7_7 N8_7 1.28(2) . ?
C7_7 H7_7 0.9500 . ?
N8_7 N9_7 1.456(19) . ?
N9_7 C10_7 1.41(2) . ?
N9_7 C15_7 1.43(2) . ?
C10_7 O11_7 1.18(2) . ?
C10_7 C12_7 1.50(3) . ?
C12_7 C17_7 1.36(2) . ?
C12_7 C13_7 1.41(3) . ?
C13_7 C14_7 1.40(3) . ?
C13_7 C33_7 1.43(2) . ?
C14_7 C18_7 1.39(3) . ?
C14_7 C15_7 1.50(3) . ?
C15_7 O16_7 1.18(2) . ?
C17_7 C38_7 1.43(2) . ?
C17_7 H17_7 0.9500 . ?
C18_7 C37_7 1.47(3) . ?
C18_7 H18_7 0.9500 . ?
N21_7 C26_7 1.30(2) . ?
N21_7 C22_7 1.37(2) . ?
C22_7 C23_7 1.38(3) . ?
C22_7 H22_7 0.9500 . ?
C23_7 C24_7 1.33(3) . ?
C23_7 H23_7 0.9500 . ?
C24_7 C25_7 1.40(3) . ?
C24_7 H24_7 0.9500 . ?
C25_7 C26_7 1.38(3) . ?
C25_7 H25_7 0.9500 . ?
C26_7 C27_7 1.55(3) . ?
C27_7 N28_7 1.27(2) . ?
C27_7 H27_7 0.9500 . ?
N28_7 N29_7 1.45(2) . ?
N29_7 C30_7 1.35(3) . ?
N29_7 C35_7 1.45(3) . ?
C30_7 O31_7 1.23(3) . ?
C30_7 C32_7 1.52(3) . ?
C32_7 C37_7 1.36(3) . ?
C32_7 C33_7 1.42(3) . ?
C33_7 C34_7 1.37(2) . ?
C34_7 C38_7 1.40(2) . ?
C34_7 C35_7 1.50(3) . ?
C35_7 O36_7 1.18(2) . ?
C37_7 H37_7 0.9500 . ?
C38_7 H38_7 0.9500 . ?
N1_8 C6_8 1.32(3) . ?
N1_8 C2_8 1.37(2) . ?
C2_8 C3_8 1.33(3) . ?
C2_8 H2_8 0.9500 . ?
C3_8 C4_8 1.41(3) . ?
C3_8 H3_8 0.9500 . ?
C4_8 C5_8 1.39(3) . ?
C4_8 H4_8 0.9500 . ?
C5_8 C6_8 1.45(3) . ?
C5_8 H5_8 0.9500 . ?
C6_8 C7_8 1.42(3) . ?
C7_8 N8_8 1.32(2) . ?
C7_8 H7_8 0.9500 . ?
N8_8 N9_8 1.43(2) . ?
N9_8 C10_8 1.38(2) . ?
N9_8 C15_8 1.38(2) . ?
C10_8 O11_8 1.24(2) . ?
C10_8 C12_8 1.47(3) . ?
C12_8 C17_8 1.37(3) . ?
C12_8 C13_8 1.39(3) . ?
C13_8 C14_8 1.40(3) . ?
C13_8 C33_8 1.43(3) . ?
C14_8 C18_8 1.34(2) . ?
C14_8 C15_8 1.53(3) . ?
C15_8 O16_8 1.21(2) . ?
C17_8 C38_8 1.42(3) . ?
C17_8 H17_8 0.9500 . ?
C18_8 C37_8 1.45(3) . ?
C18_8 H18_8 0.9500 . ?
N21_8 C26_8 1.33(3) . ?
N21_8 C22_8 1.42(3) . ?
C22_8 C23_8 1.38(3) . ?
C22_8 H22_8 0.9500 . ?
C23_8 C24_8 1.39(3) . ?
C23_8 H23_8 0.9500 . ?
C24_8 C25_8 1.43(3) . ?
C24_8 H24_8 0.9500 . ?
C25_8 C26_8 1.38(3) . ?
C25_8 H25_8 0.9500 . ?
C26_8 C27_8 1.49(3) . ?
C27_8 N28_8 1.35(3) . ?
C27_8 H27_8 0.9500 . ?
N28_8 N29_8 1.42(2) . ?
N29_8 C30_8 1.39(3) . ?
N29_8 C35_8 1.40(3) . ?
C30_8 O31_8 1.23(2) . ?
C30_8 C32_8 1.48(3) . ?
C32_8 C33_8 1.36(3) . ?
C32_8 C37_8 1.38(3) . ?
C33_8 C34_8 1.43(3) . ?
C34_8 C38_8 1.31(3) . ?
C34_8 C35_8 1.54(3) . ?
C35_8 O36_8 1.26(3) . ?
C37_8 H37_8 0.9500 . ?
C38_8 H38_8 0.9500 . ?
N1_9 C6_9 1.351(13) . ?
N1_9 C2_9 1.361(13) . ?
C2_9 C3_9 1.429(15) . ?
C2_9 H2_9 0.9500 . ?
C3_9 C4_9 1.370(15) . ?
C3_9 H3_9 0.9500 . ?
C4_9 C5_9 1.407(14) . ?
C4_9 H4_9 0.9500 . ?
C5_9 C6_9 1.391(14) . ?
C5_9 H5_9 0.9500 . ?
C6_9 C7_9 1.450(14) . ?
C7_9 N8_9 1.316(13) . ?
C7_9 H7_9 0.9500 . ?
N8_9 N9_9 1.413(11) . ?
N9_9 C10_9 1.413(12) . ?
N9_9 C15_9 1.425(12) . ?
C10_9 O11_9 1.222(12) . ?
C10_9 C12_9 1.456(14) . ?
C12_9 C17_9 1.392(13) . ?
C12_9 C13_9 1.423(13) . ?
C13_9 C33_9 1.416(13) . ?
C13_9 C14_9 1.427(13) . ?
C14_9 C18_9 1.369(13) . ?
C14_9 C15_9 1.457(14) . ?
C15_9 O16_9 1.206(12) . ?
C17_9 C38_9 1.391(13) . ?
C17_9 H17_9 0.9500 . ?
C18_9 C37_9 1.436(13) . ?
C18_9 H18_9 0.9500 . ?
N21_9 C26_9 1.343(15) . ?
N21_9 C22_9 1.378(14) . ?
C22_9 C23_9 1.384(16) . ?
C22_9 H22_9 0.9500 . ?
C23_9 C24_9 1.367(16) . ?
C23_9 H23_9 0.9500 . ?
C24_9 C25_9 1.445(16) . ?
C24_9 H24_9 0.9500 . ?
C25_9 C26_9 1.384(15) . ?
C25_9 H25_9 0.9500 . ?
C26_9 C27_9 1.480(15) . ?
C27_9 N28_9 1.333(13) . ?
C27_9 H27_9 0.9500 . ?
N28_9 N29_9 1.451(12) . ?
N29_9 C35_9 1.389(13) . ?
N29_9 C30_9 1.474(13) . ?
C30_9 O31_9 1.206(13) . ?
C30_9 C32_9 1.443(14) . ?
C32_9 C37_9 1.397(13) . ?
C32_9 C33_9 1.411(13) . ?
C33_9 C34_9 1.431(13) . ?
C34_9 C38_9 1.381(13) . ?
C34_9 C35_9 1.476(14) . ?
C35_9 O36_9 1.252(12) . ?
C37_9 H37_9 0.9500 . ?
C38_9 H38_9 0.9500 . ?
N1_10 C6_10 1.349(13) . ?
N1_10 C2_10 1.359(13) . ?
C2_10 C3_10 1.434(15) . ?
C2_10 H2_10 0.9500 . ?
C3_10 C4_10 1.367(15) . ?
C3_10 H3_10 0.9500 . ?
C4_10 C5_10 1.411(15) . ?
C4_10 H4_10 0.9500 . ?
C5_10 C6_10 1.394(14) . ?
C5_10 H5_10 0.9500 . ?
C6_10 C7_10 1.449(14) . ?
C7_10 N8_10 1.316(12) . ?
C7_10 H7_10 0.9500 . ?
N8_10 N9_10 1.417(11) . ?
N9_10 C10_10 1.418(12) . ?
N9_10 C15_10 1.425(12) . ?
C10_10 O11_10 1.221(12) . ?
C10_10 C12_10 1.454(13) . ?
C12_10 C17_10 1.392(13) . ?
C12_10 C13_10 1.424(13) . ?
C13_10 C33_10 1.413(13) . ?
C13_10 C14_10 1.429(13) . ?
C14_10 C18_10 1.374(13) . ?
C14_10 C15_10 1.464(14) . ?
C15_10 O16_10 1.215(11) . ?
C17_10 C38_10 1.388(13) . ?
C17_10 H17_10 0.9500 . ?
C18_10 C37_10 1.441(13) . ?
C18_10 H18_10 0.9500 . ?
N21_10 C26_10 1.341(14) . ?
N21_10 C22_10 1.375(14) . ?
C22_10 C23_10 1.389(16) . ?
C22_10 H22_10 0.9500 . ?
C23_10 C24_10 1.370(16) . ?
C23_10 H23_10 0.9500 . ?
C24_10 C25_10 1.442(16) . ?
C24_10 H24_10 0.9500 . ?
C25_10 C26_10 1.392(15) . ?
C25_10 H25_10 0.9500 . ?
C26_10 C27_10 1.478(15) . ?
C27_10 N28_10 1.338(13) . ?
C27_10 H27_10 0.9500 . ?
N28_10 N29_10 1.443(12) . ?
N29_10 C35_10 1.384(13) . ?
N29_10 C30_10 1.473(13) . ?
C30_10 O31_10 1.204(12) . ?
C30_10 C32_10 1.442(14) . ?
C32_10 C37_10 1.399(13) . ?
C32_10 C33_10 1.412(13) . ?
C33_10 C34_10 1.430(13) . ?
C34_10 C38_10 1.383(13) . ?
C34_10 C35_10 1.474(14) . ?
C35_10 O36_10 1.249(12) . ?
C37_10 H37_10 0.9500 . ?
C38_10 H38_10 0.9500 . ?
N1_11 C6_11 1.349(13) . ?
N1_11 C2_11 1.363(13) . ?
C2_11 C3_11 1.434(15) . ?
C2_11 H2_11 0.9500 . ?
C3_11 C4_11 1.377(15) . ?
C3_11 H3_11 0.9500 . ?
C4_11 C5_11 1.413(15) . ?
C4_11 H4_11 0.9500 . ?
C5_11 C6_11 1.395(15) . ?
C5_11 H5_11 0.9500 . ?
C6_11 C7_11 1.450(14) . ?
C7_11 N8_11 1.318(13) . ?
C7_11 H7_11 0.9500 . ?
N8_11 N9_11 1.410(11) . ?
N9_11 C10_11 1.413(13) . ?
N9_11 C15_11 1.426(12) . ?
C10_11 O11_11 1.223(12) . ?
C10_11 C12_11 1.452(14) . ?
C12_11 C17_11 1.392(13) . ?
C12_11 C13_11 1.424(13) . ?
C13_11 C33_11 1.411(13) . ?
C13_11 C14_11 1.425(13) . ?
C14_11 C18_11 1.371(13) . ?
C14_11 C15_11 1.457(14) . ?
C15_11 O16_11 1.209(12) . ?
C17_11 C38_11 1.385(13) . ?
C17_11 H17_11 0.9500 . ?
C18_11 C37_11 1.437(13) . ?
C18_11 H18_11 0.9500 . ?
N21_11 C26_11 1.347(14) . ?
N21_11 C22_11 1.377(14) . ?
C22_11 C23_11 1.390(16) . ?
C22_11 H22_11 0.9500 . ?
C23_11 C24_11 1.370(16) . ?
C23_11 H23_11 0.9500 . ?
C24_11 C25_11 1.437(16) . ?
C24_11 H24_11 0.9500 . ?
C25_11 C26_11 1.384(15) . ?
C25_11 H25_11 0.9500 . ?
C26_11 C27_11 1.468(15) . ?
C27_11 N28_11 1.332(13) . ?
C27_11 H27_11 0.9500 . ?
N28_11 N29_11 1.438(11) . ?
N29_11 C35_11 1.390(13) . ?
N29_11 C30_11 1.469(13) . ?
C30_11 O31_11 1.204(12) . ?
C30_11 C32_11 1.438(14) . ?
C32_11 C37_11 1.393(13) . ?
C32_11 C33_11 1.412(13) . ?
C33_11 C34_11 1.431(13) . ?
C34_11 C38_11 1.383(13) . ?
C34_11 C35_11 1.472(14) . ?
C35_11 O36_11 1.244(12) . ?
C37_11 H37_11 0.9500 . ?
C38_11 H38_11 0.9500 . ?
N1_12 C6_12 1.357(13) . ?
N1_12 C2_12 1.363(13) . ?
C2_12 C3_12 1.431(15) . ?
C2_12 H2_12 0.9500 . ?
C3_12 C4_12 1.372(15) . ?
C3_12 H3_12 0.9500 . ?
C4_12 C5_12 1.408(15) . ?
C4_12 H4_12 0.9500 . ?
C5_12 C6_12 1.391(14) . ?
C5_12 H5_12 0.9500 . ?
C6_12 C7_12 1.446(14) . ?
C7_12 N8_12 1.315(13) . ?
C7_12 H7_12 0.9500 . ?
N8_12 N9_12 1.411(11) . ?
N9_12 C10_12 1.420(13) . ?
N9_12 C15_12 1.431(12) . ?
C10_12 O11_12 1.221(12) . ?
C10_12 C12_12 1.451(14) . ?
C12_12 C17_12 1.391(13) . ?
C12_12 C13_12 1.427(13) . ?
C13_12 C33_12 1.413(13) . ?
C13_12 C14_12 1.428(13) . ?
C14_12 C18_12 1.374(13) . ?
C14_12 C15_12 1.462(14) . ?
C15_12 O16_12 1.207(12) . ?
C17_12 C38_12 1.388(13) . ?
C17_12 H17_12 0.9500 . ?
C18_12 C37_12 1.436(13) . ?
C18_12 H18_12 0.9500 . ?
N21_12 C26_12 1.342(15) . ?
N21_12 C22_12 1.372(14) . ?
C22_12 C23_12 1.394(16) . ?
C22_12 H22_12 0.9500 . ?
C23_12 C24_12 1.369(16) . ?
C23_12 H23_12 0.9500 . ?
C24_12 C25_12 1.440(16) . ?
C24_12 H24_12 0.9500 . ?
C25_12 C26_12 1.393(16) . ?
C25_12 H25_12 0.9500 . ?
C26_12 C27_12 1.478(15) . ?
C27_12 N28_12 1.344(13) . ?
C27_12 H27_12 0.9500 . ?
N28_12 N29_12 1.434(12) . ?
N29_12 C35_12 1.388(13) . ?
N29_12 C30_12 1.472(13) . ?
C30_12 O31_12 1.202(13) . ?
C30_12 C32_12 1.437(14) . ?
C32_12 C37_12 1.392(13) . ?
C32_12 C33_12 1.415(13) . ?
C33_12 C34_12 1.434(13) . ?
C34_12 C38_12 1.383(13) . ?
C34_12 C35_12 1.469(14) . ?
C35_12 O36_12 1.248(12) . ?
C37_12 H37_12 0.9500 . ?
C38_12 H38_12 0.9500 . ?
B1_21 F2_21 1.368(7) . ?
B1_21 F4_21 1.369(7) . ?
B1_21 F3_21 1.371(7) . ?
B1_21 F5_21 1.372(7) . ?
B1_22 F5_22 1.368(7) . ?
B1_22 F4_22 1.370(7) . ?
B1_22 F3_22 1.373(7) . ?
B1_22 F2_22 1.372(7) . ?
B1_23 F2_23 1.368(7) . ?
B1_23 F3_23 1.368(7) . ?
B1_23 F4_23 1.373(7) . ?
B1_23 F5_23 1.373(7) . ?
B1_24 F4_24 1.366(7) . ?
B1_24 F2_24 1.368(7) . ?
B1_24 F5_24 1.369(7) . ?
B1_24 F3_24 1.374(7) . ?
B1_25 F3_25 1.366(7) . ?
B1_25 F4_25 1.370(7) . ?
B1_25 F2_25 1.372(7) . ?
B1_25 F5_25 1.373(7) . ?
B1_26 F3_26 1.370(7) . ?
B1_26 F4_26 1.371(7) . ?
B1_26 F2_26 1.371(7) . ?
B1_26 F5_26 1.371(7) . ?
B1_27 F3_27 1.367(7) . ?
B1_27 F2_27 1.370(7) . ?
B1_27 F4_27 1.371(7) . ?
B1_27 F5_27 1.372(7) . ?
B1_28 F2_28 1.366(7) . ?
B1_28 F5_28 1.372(7) . ?
B1_28 F4_28 1.372(7) . ?
B1_28 F3_28 1.372(7) . ?
B1_29 F3_29 1.371(7) . ?
B1_29 F5_29 1.372(7) . ?
B1_29 F2_29 1.372(7) . ?
B1_29 F4_29 1.377(7) . ?
B1_30 F2_30 1.373(7) . ?
B1_30 F3_30 1.374(7) . ?
B1_30 F5_30 1.375(7) . ?
B1_30 F4_30 1.376(7) . ?
B1_31 F4_31 1.369(7) . ?
B1_31 F2_31 1.370(7) . ?
B1_31 F3_31 1.371(7) . ?
B1_31 F5_31 1.373(7) . ?
B1_32 F5_32 1.370(7) . ?
B1_32 F2_32 1.371(7) . ?
B1_32 F4_32 1.372(7) . ?
B1_32 F3_32 1.372(7) . ?
B1_33 F2_33 1.371(7) . ?
B1_33 F5_33 1.371(7) . ?
B1_33 F3_33 1.371(7) . ?
B1_33 F4_33 1.372(7) . ?
B1_34 F4_34 1.369(7) . ?
B1_34 F5_34 1.371(7) . ?
B1_34 F2_34 1.371(7) . ?
B1_34 F3_34 1.372(7) . ?
B1_35 F5_35 1.370(7) . ?
B1_35 F4_35 1.371(7) . ?
B1_35 F3_35 1.371(7) . ?
B1_35 F2_35 1.372(7) . ?
B1_36 F5_36 1.371(7) . ?
B1_36 F4_36 1.371(7) . ?
B1_36 F3_36 1.371(7) . ?
B1_36 F2_36 1.371(7) . ?
B1_37 F4_37 1.370(7) . ?
B1_37 F3_37 1.371(7) . ?
B1_37 F5_37 1.373(7) . ?
B1_37 F2_37 1.373(7) . ?
B1_38 F2_38 1.371(7) . ?
B1_38 F3_38 1.371(7) . ?
B1_38 F5_38 1.371(7) . ?
B1_38 F4_38 1.372(7) . ?
B1_39 F5_39 1.371(7) . ?
B1_39 F3_39 1.371(7) . ?
B1_39 F4_39 1.372(7) . ?
B1_39 F2_39 1.373(7) . ?
B1_40 F5_40 1.365(7) . ?
B1_40 F4_40 1.371(7) . ?
B1_40 F3_40 1.371(7) . ?
B1_40 F2_40 1.373(7) . ?
N1_42 C2_42 1.137(14) . ?
C2_42 C3_42 1.450(15) . ?
C3_42 H3A_42 0.9800 . ?
C3_42 H3B_42 0.9800 . ?
C3_42 H3C_42 0.9800 . ?
N1_43 C2_43 1.125(15) . ?
C2_43 C3_43 1.462(15) . ?
C3_43 H3A_43 0.9800 . ?
C3_43 H3B_43 0.9800 . ?
C3_43 H3C_43 0.9800 . ?
O1_51 C5_51 1.406(18) . ?
O1_51 C2_51 1.448(19) . ?
C2_51 C3_51 1.461(19) . ?
C2_51 H2A_51 0.9900 . ?
C2_51 H2B_51 0.9900 . ?
C3_51 C4_51 1.447(19) . ?
C3_51 H3A_51 0.9900 . ?
C3_51 H3B_51 0.9900 . ?
C4_51 C5_51 1.455(19) . ?
C4_51 H4A_51 0.9900 . ?
C4_51 H4B_51 0.9900 . ?
C5_51 H5A_51 0.9900 . ?
C5_51 H5B_51 0.9900 . ?
O1_52 C2_52 1.407(19) . ?
O1_52 C5_52 1.45(2) . ?
C2_52 C3_52 1.44(2) . ?
C2_52 H2A_52 0.9900 . ?
C2_52 H2B_52 0.9900 . ?
C3_52 C4_52 1.47(2) . ?
C3_52 H3A_52 0.9900 . ?
C3_52 H3B_52 0.9900 . ?
C4_52 C5_52 1.43(2) . ?
C4_52 H4A_52 0.9900 . ?
C4_52 H4B_52 0.9900 . ?
C5_52 H5A_52 0.9900 . ?
C5_52 H5B_52 0.9900 . ?
O1_53 C5_53 1.43(2) . ?
O1_53 C2_53 1.45(2) . ?
C2_53 C3_53 1.45(2) . ?
C2_53 H2A_53 0.9900 . ?
C2_53 H2B_53 0.9900 . ?
C3_53 C4_53 1.47(2) . ?
C3_53 H3A_53 0.9900 . ?
C3_53 H3B_53 0.9900 . ?
C4_53 C5_53 1.46(2) . ?
C4_53 H4A_53 0.9900 . ?
C4_53 H4B_53 0.9900 . ?
C5_53 H5A_53 0.9900 . ?
C5_53 H5B_53 0.9900 . ?
O1_54 C2_54 1.42(2) . ?
O1_54 C5_54 1.42(2) . ?
C2_54 C3_54 1.45(2) . ?
C2_54 H2A_54 0.9900 . ?
C2_54 H2B_54 0.9900 . ?
C3_54 C4_54 1.44(2) . ?
C3_54 H3A_54 0.9900 . ?
C3_54 H3B_54 0.9900 . ?
C4_54 C5_54 1.47(2) . ?
C4_54 H4A_54 0.9900 . ?
C4_54 H4B_54 0.9900 . ?
C5_54 H5A_54 0.9900 . ?
C5_54 H5B_54 0.9900 . ?
O1_55 C5_55 1.42(2) . ?
O1_55 C2_55 1.44(2) . ?
C2_55 C3_55 1.46(2) . ?
C2_55 H2A_55 0.9900 . ?
C2_55 H2B_55 0.9900 . ?
C3_55 C4_55 1.47(2) . ?
C3_55 H3A_55 0.9900 . ?
C3_55 H3B_55 0.9900 . ?
C4_55 C5_55 1.46(2) . ?
C4_55 H4A_55 0.9900 . ?
C4_55 H4B_55 0.9900 . ?
C5_55 H5A_55 0.9900 . ?
C5_55 H5B_55 0.9900 . ?
O1_56 C5_56 1.42(2) . ?
O1_56 C2_56 1.43(2) . ?
C2_56 C3_56 1.40(2) . ?
C2_56 H2A_56 0.9900 . ?
C2_56 H2B_56 0.9900 . ?
C3_56 C4_56 1.46(2) . ?
C3_56 H3A_56 0.9900 . ?
C3_56 H3B_56 0.9900 . ?
C4_56 C5_56 1.45(2) . ?
C4_56 H4A_56 0.9900 . ?
C4_56 H4B_56 0.9900 . ?
C5_56 H5A_56 0.9900 . ?
C5_56 H5B_56 0.9900 . ?
O1_57 C5_57 1.42(2) . ?
O1_57 C2_57 1.44(2) . ?
C2_57 C3_57 1.44(2) . ?
C2_57 H2A_57 0.9900 . ?
C2_57 H2B_57 0.9900 . ?
C3_57 C4_57 1.49(2) . ?
C3_57 H3A_57 0.9900 . ?
C3_57 H3B_57 0.9900 . ?
C4_57 C5_57 1.45(2) . ?
C4_57 H4A_57 0.9900 . ?
C4_57 H4B_57 0.9900 . ?
C5_57 H5A_57 0.9900 . ?
C5_57 H5B_57 0.9900 . ?
O1_58 C2_58 1.44(2) . ?
O1_58 C5_58 1.46(2) . ?
C2_58 C3_58 1.46(2) . ?
C2_58 H2A_58 0.9900 . ?
C2_58 H2B_58 0.9900 . ?
C3_58 C4_58 1.44(2) . ?
C3_58 H3A_58 0.9900 . ?
C3_58 H3B_58 0.9900 . ?
C4_58 C5_58 1.44(2) . ?
C4_58 H4A_58 0.9900 . ?
C4_58 H4B_58 0.9900 . ?
C5_58 H5A_58 0.9900 . ?
C5_58 H5B_58 0.9900 . ?
O1_59 C2_59 1.352(19) . ?
O1_59 C5_59 1.45(2) . ?
C2_59 C3_59 1.397(19) . ?
C2_59 C5_59 1.96(5) . ?
C2_59 C4_59 1.98(5) . ?
C2_59 H2A_59 0.9900 . ?
C2_59 H2B_59 0.9900 . ?
C3_59 C4_59 1.42(2) . ?
C3_59 H3A_59 0.9900 . ?
C3_59 H3B_59 0.9900 . ?
C4_59 C5_59 1.46(2) . ?
C4_59 H4A_59 0.9900 . ?
C4_59 H4B_59 0.9900 . ?
C5_59 H5A_59 0.9900 . ?
C5_59 H5B_59 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N8_3 Fe1 N28_1 95.4(5) . . ?
N8_3 Fe1 N21_1 170.9(7) . . ?
N28_1 Fe1 N21_1 81.3(5) . . ?
N8_3 Fe1 N1_2 90.0(6) . . ?
N28_1 Fe1 N1_2 174.3(6) . . ?
N21_1 Fe1 N1_2 93.5(6) . . ?
N8_3 Fe1 N1_3 80.7(7) . . ?
N28_1 Fe1 N1_3 91.5(5) . . ?
N21_1 Fe1 N1_3 90.9(6) . . ?
N1_2 Fe1 N1_3 91.0(6) . . ?
N8_3 Fe1 N8_2 98.8(6) . . ?
N28_1 Fe1 N8_2 98.8(6) . . ?
N21_1 Fe1 N8_2 90.1(6) . . ?
N1_2 Fe1 N8_2 78.7(6) . . ?
N1_3 Fe1 N8_2 169.7(6) . . ?
N8_6 Fe2 N21_2 88.9(6) . . ?
N8_6 Fe2 N21_4 175.1(6) . . ?
N21_2 Fe2 N21_4 92.2(7) . . ?
N8_6 Fe2 N1_6 79.0(6) . . ?
N21_2 Fe2 N1_6 90.8(6) . . ?
N21_4 Fe2 N1_6 96.2(6) . . ?
N8_6 Fe2 N28_2 97.3(6) . . ?
N21_2 Fe2 N28_2 80.6(6) . . ?
N21_4 Fe2 N28_2 87.6(6) . . ?
N1_6 Fe2 N28_2 170.8(6) . . ?
N8_6 Fe2 N28_4 98.6(6) . . ?
N21_2 Fe2 N28_4 171.3(6) . . ?
N21_4 Fe2 N28_4 79.9(7) . . ?
N1_6 Fe2 N28_4 86.3(6) . . ?
N28_2 Fe2 N28_4 102.7(6) . . ?
N1_1 Fe3 N1_5 90.9(5) . . ?
N1_1 Fe3 N8_1 82.0(5) . . ?
N1_5 Fe3 N8_1 172.6(5) . . ?
N1_1 Fe3 N8_5 87.7(6) . . ?
N1_5 Fe3 N8_5 80.6(7) . . ?
N8_1 Fe3 N8_5 97.0(6) . . ?
N1_1 Fe3 N1_4 92.2(6) . . ?
N1_5 Fe3 N1_4 92.1(6) . . ?
N8_1 Fe3 N1_4 90.2(5) . . ?
N8_5 Fe3 N1_4 172.7(6) . . ?
N1_1 Fe3 N8_4 170.7(6) . . ?
N1_5 Fe3 N8_4 91.6(6) . . ?
N8_1 Fe3 N8_4 95.7(5) . . ?
N8_5 Fe3 N8_4 101.6(6) . . ?
N1_4 Fe3 N8_4 78.8(6) . . ?
N21_3 Fe4 N21_6 94.0(7) . . ?
N21_3 Fe4 N28_6 173.9(7) . . ?
N21_6 Fe4 N28_6 79.9(7) . . ?
N21_3 Fe4 N21_5 91.4(7) . . ?
N21_6 Fe4 N21_5 90.1(7) . . ?
N28_6 Fe4 N21_5 89.2(7) . . ?
N21_3 Fe4 N28_3 81.0(7) . . ?
N21_6 Fe4 N28_3 89.9(7) . . ?
N28_6 Fe4 N28_3 98.4(7) . . ?
N21_5 Fe4 N28_3 172.4(7) . . ?
N21_3 Fe4 N28_5 89.5(6) . . ?
N21_6 Fe4 N28_5 169.0(7) . . ?
N28_6 Fe4 N28_5 96.6(7) . . ?
N21_5 Fe4 N28_5 79.4(7) . . ?
N28_3 Fe4 N28_5 100.9(7) . . ?
C6_1 N1_1 C2_1 117.4(11) . . ?
C6_1 N1_1 Fe3 113.8(9) . . ?
C2_1 N1_1 Fe3 128.8(10) . . ?
N1_1 C2_1 C3_1 121.9(13) . . ?
N1_1 C2_1 H2_1 119.1 . . ?
C3_1 C2_1 H2_1 119.1 . . ?
C4_1 C3_1 C2_1 117.7(13) . . ?
C4_1 C3_1 H3_1 121.1 . . ?
C2_1 C3_1 H3_1 121.1 . . ?
C3_1 C4_1 C5_1 122.2(14) . . ?
C3_1 C4_1 H4_1 118.9 . . ?
C5_1 C4_1 H4_1 118.9 . . ?
C6_1 C5_1 C4_1 115.5(13) . . ?
C6_1 C5_1 H5_1 122.2 . . ?
C4_1 C5_1 H5_1 122.2 . . ?
N1_1 C6_1 C5_1 125.2(12) . . ?
N1_1 C6_1 C7_1 114.0(12) . . ?
C5_1 C6_1 C7_1 120.7(12) . . ?
N8_1 C7_1 C6_1 116.8(12) . . ?
N8_1 C7_1 H7_1 121.6 . . ?
C6_1 C7_1 H7_1 121.6 . . ?
C7_1 N8_1 N9_1 114.7(11) . . ?
C7_1 N8_1 Fe3 113.2(9) . . ?
N9_1 N8_1 Fe3 131.5(9) . . ?
N8_1 N9_1 C10_1 116.8(10) . . ?
N8_1 N9_1 C15_1 116.8(10) . . ?
C10_1 N9_1 C15_1 126.3(11) . . ?
O11_1 C10_1 N9_1 119.8(12) . . ?
O11_1 C10_1 C12_1 125.0(12) . . ?
N9_1 C10_1 C12_1 115.2(11) . . ?
C17_1 C12_1 C13_1 118.7(11) . . ?
C17_1 C12_1 C10_1 120.0(11) . . ?
C13_1 C12_1 C10_1 121.4(11) . . ?
C33_1 C13_1 C12_1 120.1(11) . . ?
C33_1 C13_1 C14_1 119.8(11) . . ?
C12_1 C13_1 C14_1 119.9(11) . . ?
C18_1 C14_1 C13_1 118.8(11) . . ?
C18_1 C14_1 C15_1 119.8(11) . . ?
C13_1 C14_1 C15_1 121.4(11) . . ?
O16_1 C15_1 N9_1 120.1(12) . . ?
O16_1 C15_1 C14_1 125.1(12) . . ?
N9_1 C15_1 C14_1 114.6(11) . . ?
C12_1 C17_1 C38_1 122.7(12) . . ?
C12_1 C17_1 H17_1 118.6 . . ?
C38_1 C17_1 H17_1 118.6 . . ?
C14_1 C18_1 C37_1 122.3(12) . . ?
C14_1 C18_1 H18_1 118.8 . . ?
C37_1 C18_1 H18_1 118.8 . . ?
C26_1 N21_1 C22_1 118.0(12) . . ?
C26_1 N21_1 Fe1 113.3(9) . . ?
C22_1 N21_1 Fe1 128.6(10) . . ?
N21_1 C22_1 C23_1 120.7(14) . . ?
N21_1 C22_1 H22_1 119.6 . . ?
C23_1 C22_1 H22_1 119.6 . . ?
C24_1 C23_1 C22_1 120.5(15) . . ?
C24_1 C23_1 H23_1 119.7 . . ?
C22_1 C23_1 H23_1 119.7 . . ?
C23_1 C24_1 C25_1 120.2(14) . . ?
C23_1 C24_1 H24_1 119.9 . . ?
C25_1 C24_1 H24_1 119.9 . . ?
C26_1 C25_1 C24_1 114.9(13) . . ?
C26_1 C25_1 H25_1 122.5 . . ?
C24_1 C25_1 H25_1 122.5 . . ?
N21_1 C26_1 C25_1 125.6(13) . . ?
N21_1 C26_1 C27_1 116.9(12) . . ?
C25_1 C26_1 C27_1 117.4(13) . . ?
N28_1 C27_1 C26_1 112.1(12) . . ?
N28_1 C27_1 H27_1 123.9 . . ?
C26_1 C27_1 H27_1 123.9 . . ?
C27_1 N28_1 N29_1 111.6(10) . . ?
C27_1 N28_1 Fe1 116.2(9) . . ?
N29_1 N28_1 Fe1 131.5(9) . . ?
C35_1 N29_1 N28_1 116.5(10) . . ?
C35_1 N29_1 C30_1 126.7(11) . . ?
N28_1 N29_1 C30_1 116.8(10) . . ?
O31_1 C30_1 C32_1 129.2(13) . . ?
O31_1 C30_1 N29_1 117.3(12) . . ?
C32_1 C30_1 N29_1 113.3(11) . . ?
C37_1 C32_1 C33_1 120.4(11) . . ?
C37_1 C32_1 C30_1 117.0(11) . . ?
C33_1 C32_1 C30_1 122.7(12) . . ?
C32_1 C33_1 C13_1 120.3(11) . . ?
C32_1 C33_1 C34_1 121.1(11) . . ?
C13_1 C33_1 C34_1 118.6(11) . . ?
C38_1 C34_1 C33_1 120.8(11) . . ?
C38_1 C34_1 C35_1 120.0(11) . . ?
C33_1 C34_1 C35_1 119.1(11) . . ?
O36_1 C35_1 N29_1 120.7(12) . . ?
O36_1 C35_1 C34_1 122.4(12) . . ?
N29_1 C35_1 C34_1 116.9(11) . . ?
C32_1 C37_1 C18_1 118.4(12) . . ?
C32_1 C37_1 H37_1 120.8 . . ?
C18_1 C37_1 H37_1 120.8 . . ?
C34_1 C38_1 C17_1 119.0(12) . . ?
C34_1 C38_1 H38_1 120.5 . . ?
C17_1 C38_1 H38_1 120.5 . . ?
C6_2 N1_2 C2_2 112.8(17) . . ?
C6_2 N1_2 Fe1 116.3(13) . . ?
C2_2 N1_2 Fe1 130.9(15) . . ?
N1_2 C2_2 C3_2 126(2) . . ?
N1_2 C2_2 H2_2 116.8 . . ?
C3_2 C2_2 H2_2 116.8 . . ?
C4_2 C3_2 C2_2 115(2) . . ?
C4_2 C3_2 H3_2 122.3 . . ?
C2_2 C3_2 H3_2 122.3 . . ?
C3_2 C4_2 C5_2 122(2) . . ?
C3_2 C4_2 H4_2 118.8 . . ?
C5_2 C4_2 H4_2 118.8 . . ?
C4_2 C5_2 C6_2 117(2) . . ?
C4_2 C5_2 H5_2 121.7 . . ?
C6_2 C5_2 H5_2 121.7 . . ?
N1_2 C6_2 C5_2 125.5(19) . . ?
N1_2 C6_2 C7_2 113.8(18) . . ?
C5_2 C6_2 C7_2 121(2) . . ?
N8_2 C7_2 C6_2 115(2) . . ?
N8_2 C7_2 H7_2 122.3 . . ?
C6_2 C7_2 H7_2 122.3 . . ?
C7_2 N8_2 N9_2 112.2(16) . . ?
C7_2 N8_2 Fe1 115.8(13) . . ?
N9_2 N8_2 Fe1 131.9(11) . . ?
C15_2 N9_2 C10_2 128.0(17) . . ?
C15_2 N9_2 N8_2 118.2(15) . . ?
C10_2 N9_2 N8_2 113.7(15) . . ?
O11_2 C10_2 N9_2 122.9(18) . . ?
O11_2 C10_2 C12_2 126.0(18) . . ?
N9_2 C10_2 C12_2 111.1(18) . . ?
C13_2 C12_2 C17_2 118.5(17) . . ?
C13_2 C12_2 C10_2 124.9(17) . . ?
C17_2 C12_2 C10_2 116.5(17) . . ?
C33_2 C13_2 C12_2 123.5(18) . . ?
C33_2 C13_2 C14_2 119.3(18) . . ?
C12_2 C13_2 C14_2 117.2(17) . . ?
C18_2 C14_2 C15_2 119.0(18) . . ?
C18_2 C14_2 C13_2 118.0(17) . . ?
C15_2 C14_2 C13_2 122.7(18) . . ?
O16_2 C15_2 N9_2 117.6(18) . . ?
O16_2 C15_2 C14_2 126.5(19) . . ?
N9_2 C15_2 C14_2 115.9(18) . . ?
C38_2 C17_2 C12_2 119.2(18) . . ?
C38_2 C17_2 H17_2 120.4 . . ?
C12_2 C17_2 H17_2 120.4 . . ?
C14_2 C18_2 C37_2 123.2(18) . . ?
C14_2 C18_2 H18_2 118.4 . . ?
C37_2 C18_2 H18_2 118.4 . . ?
C22_2 N21_2 C26_2 116.8(18) . . ?
C22_2 N21_2 Fe2 129.3(14) . . ?
C26_2 N21_2 Fe2 113.6(13) . . ?
N21_2 C22_2 C23_2 123(2) . . ?
N21_2 C22_2 H22_2 118.5 . . ?
C23_2 C22_2 H22_2 118.5 . . ?
C24_2 C23_2 C22_2 120(2) . . ?
C24_2 C23_2 H23_2 120.0 . . ?
C22_2 C23_2 H23_2 120.0 . . ?
C23_2 C24_2 C25_2 118(2) . . ?
C23_2 C24_2 H24_2 120.9 . . ?
C25_2 C24_2 H24_2 120.9 . . ?
C26_2 C25_2 C24_2 119(2) . . ?
C26_2 C25_2 H25_2 120.7 . . ?
C24_2 C25_2 H25_2 120.7 . . ?
C25_2 C26_2 N21_2 123.1(19) . . ?
C25_2 C26_2 C27_2 121(2) . . ?
N21_2 C26_2 C27_2 115.1(19) . . ?
N28_2 C27_2 C26_2 114.5(18) . . ?
N28_2 C27_2 H27_2 122.7 . . ?
C26_2 C27_2 H27_2 122.7 . . ?
C27_2 N28_2 N29_2 110.7(14) . . ?
C27_2 N28_2 Fe2 115.3(13) . . ?
N29_2 N28_2 Fe2 133.5(12) . . ?
C35_2 N29_2 N28_2 120.5(15) . . ?
C35_2 N29_2 C30_2 124.0(16) . . ?
N28_2 N29_2 C30_2 115.3(15) . . ?
O31_2 C30_2 C32_2 129.3(19) . . ?
O31_2 C30_2 N29_2 118.6(17) . . ?
C32_2 C30_2 N29_2 112.0(17) . . ?
C33_2 C32_2 C37_2 118.9(17) . . ?
C33_2 C32_2 C30_2 125.5(18) . . ?
C37_2 C32_2 C30_2 115.5(17) . . ?
C13_2 C33_2 C32_2 123.5(17) . . ?
C13_2 C33_2 C34_2 117.9(18) . . ?
C32_2 C33_2 C34_2 118.6(17) . . ?
C38_2 C34_2 C33_2 120.9(17) . . ?
C38_2 C34_2 C35_2 120.8(17) . . ?
C33_2 C34_2 C35_2 118.2(17) . . ?
O36_2 C35_2 N29_2 118.9(17) . . ?
O36_2 C35_2 C34_2 120.5(18) . . ?
N29_2 C35_2 C34_2 120.5(18) . . ?
C32_2 C37_2 C18_2 117.0(18) . . ?
C32_2 C37_2 H37_2 121.5 . . ?
C18_2 C37_2 H37_2 121.5 . . ?
C34_2 C38_2 C17_2 120.1(18) . . ?
C34_2 C38_2 H38_2 119.9 . . ?
C17_2 C38_2 H38_2 119.9 . . ?
C2_3 N1_3 C6_3 119.1(18) . . ?
C2_3 N1_3 Fe1 128.5(14) . . ?
C6_3 N1_3 Fe1 112.5(13) . . ?
N1_3 C2_3 C3_3 119(2) . . ?
N1_3 C2_3 H2_3 120.7 . . ?
C3_3 C2_3 H2_3 120.7 . . ?
C2_3 C3_3 C4_3 125(2) . . ?
C2_3 C3_3 H3_3 117.7 . . ?
C4_3 C3_3 H3_3 117.7 . . ?
C3_3 C4_3 C5_3 118(2) . . ?
C3_3 C4_3 H4_3 121.1 . . ?
C5_3 C4_3 H4_3 121.1 . . ?
C6_3 C5_3 C4_3 116(2) . . ?
C6_3 C5_3 H5_3 122.0 . . ?
C4_3 C5_3 H5_3 122.0 . . ?
N1_3 C6_3 C5_3 123.8(19) . . ?
N1_3 C6_3 C7_3 113.7(19) . . ?
C5_3 C6_3 C7_3 122(2) . . ?
N8_3 C7_3 C6_3 116.0(19) . . ?
N8_3 C7_3 H7_3 122.0 . . ?
C6_3 C7_3 H7_3 122.0 . . ?
C7_3 N8_3 N9_3 108.2(15) . . ?
C7_3 N8_3 Fe1 116.2(13) . . ?
N9_3 N8_3 Fe1 135.6(12) . . ?
C15_3 N9_3 C10_3 127.2(16) . . ?
C15_3 N9_3 N8_3 118.0(15) . . ?
C10_3 N9_3 N8_3 114.6(15) . . ?
O11_3 C10_3 N9_3 120.6(17) . . ?
O11_3 C10_3 C12_3 125.6(18) . . ?
N9_3 C10_3 C12_3 113.8(18) . . ?
C17_3 C12_3 C13_3 121.8(17) . . ?
C17_3 C12_3 C10_3 116.2(18) . . ?
C13_3 C12_3 C10_3 122.0(18) . . ?
C33_3 C13_3 C12_3 117.9(18) . . ?
C33_3 C13_3 C14_3 123(2) . . ?
C12_3 C13_3 C14_3 119.3(18) . . ?
C13_3 C14_3 C15_3 123(2) . . ?
C13_3 C14_3 C18_3 116.4(18) . . ?
C15_3 C14_3 C18_3 120.9(19) . . ?
O16_3 C15_3 N9_3 119.8(18) . . ?
O16_3 C15_3 C14_3 125(2) . . ?
N9_3 C15_3 C14_3 114.4(18) . . ?
C12_3 C17_3 C38_3 117.8(19) . . ?
C12_3 C17_3 H17_3 121.1 . . ?
C38_3 C17_3 H17_3 121.1 . . ?
C37_3 C18_3 C14_3 120(2) . . ?
C37_3 C18_3 H18_3 120.2 . . ?
C14_3 C18_3 H18_3 120.2 . . ?
C22_3 N21_3 C26_3 114.3(18) . . ?
C22_3 N21_3 Fe4 131.3(16) . . ?
C26_3 N21_3 Fe4 114.4(13) . . ?
N21_3 C22_3 C23_3 125(2) . . ?
N21_3 C22_3 H22_3 117.5 . . ?
C23_3 C22_3 H22_3 117.5 . . ?
C24_3 C23_3 C22_3 118(2) . . ?
C24_3 C23_3 H23_3 121.2 . . ?
C22_3 C23_3 H23_3 121.2 . . ?
C23_3 C24_3 C25_3 118(2) . . ?
C23_3 C24_3 H24_3 120.8 . . ?
C25_3 C24_3 H24_3 120.8 . . ?
C26_3 C25_3 C24_3 119(2) . . ?
C26_3 C25_3 H25_3 120.5 . . ?
C24_3 C25_3 H25_3 120.5 . . ?
C25_3 C26_3 C27_3 124(2) . . ?
C25_3 C26_3 N21_3 125(2) . . ?
C27_3 C26_3 N21_3 111(2) . . ?
N28_3 C27_3 C26_3 121(2) . . ?
N28_3 C27_3 H27_3 119.7 . . ?
C26_3 C27_3 H27_3 119.7 . . ?
C27_3 N28_3 N29_3 114.6(16) . . ?
C27_3 N28_3 Fe4 112.9(14) . . ?
N29_3 N28_3 Fe4 132.6(12) . . ?
C35_3 N29_3 C30_3 128.2(18) . . ?
C35_3 N29_3 N28_3 116.2(16) . . ?
C30_3 N29_3 N28_3 115.6(17) . . ?
O31_3 C30_3 N29_3 123(2) . . ?
O31_3 C30_3 C32_3 118(2) . . ?
N29_3 C30_3 C32_3 118(2) . . ?
C37_3 C32_3 C33_3 121(2) . . ?
C37_3 C32_3 C30_3 123(2) . . ?
C33_3 C32_3 C30_3 116(2) . . ?
C13_3 C33_3 C34_3 122(2) . . ?
C13_3 C33_3 C32_3 117.4(19) . . ?
C34_3 C33_3 C32_3 120.6(19) . . ?
C38_3 C34_3 C33_3 119.6(18) . . ?
C38_3 C34_3 C35_3 117.6(18) . . ?
C33_3 C34_3 C35_3 123(2) . . ?
O36_3 C35_3 N29_3 121.9(19) . . ?
O36_3 C35_3 C34_3 125(2) . . ?
N29_3 C35_3 C34_3 112.8(18) . . ?
C18_3 C37_3 C32_3 123(2) . . ?
C18_3 C37_3 H37_3 118.5 . . ?
C32_3 C37_3 H37_3 118.5 . . ?
C34_3 C38_3 C17_3 120.6(19) . . ?
C34_3 C38_3 H38_3 119.7 . . ?
C17_3 C38_3 H38_3 119.7 . . ?
C2_4 N1_4 C6_4 116.9(17) . . ?
C2_4 N1_4 Fe3 125.7(13) . . ?
C6_4 N1_4 Fe3 117.3(14) . . ?
N1_4 C2_4 C3_4 120.8(19) . . ?
N1_4 C2_4 H2_4 119.6 . . ?
C3_4 C2_4 H2_4 119.6 . . ?
C4_4 C3_4 C2_4 118(2) . . ?
C4_4 C3_4 H3_4 121.1 . . ?
C2_4 C3_4 H3_4 121.1 . . ?
C3_4 C4_4 C5_4 123(2) . . ?
C3_4 C4_4 H4_4 118.5 . . ?
C5_4 C4_4 H4_4 118.5 . . ?
C6_4 C5_4 C4_4 115(2) . . ?
C6_4 C5_4 H5_4 122.7 . . ?
C4_4 C5_4 H5_4 122.7 . . ?
C5_4 C6_4 N1_4 126(2) . . ?
C5_4 C6_4 C7_4 123(2) . . ?
N1_4 C6_4 C7_4 110.4(18) . . ?
N8_4 C7_4 C6_4 119.0(18) . . ?
N8_4 C7_4 H7_4 120.5 . . ?
C6_4 C7_4 H7_4 120.5 . . ?
C7_4 N8_4 N9_4 113.3(15) . . ?
C7_4 N8_4 Fe3 114.4(13) . . ?
N9_4 N8_4 Fe3 132.4(11) . . ?
C10_4 N9_4 N8_4 119.7(14) . . ?
C10_4 N9_4 C15_4 123.8(16) . . ?
N8_4 N9_4 C15_4 115.7(14) . . ?
O11_4 C10_4 N9_4 120.4(17) . . ?
O11_4 C10_4 C12_4 121.1(17) . . ?
N9_4 C10_4 C12_4 118.5(17) . . ?
C17_4 C12_4 C13_4 117.9(18) . . ?
C17_4 C12_4 C10_4 124.3(18) . . ?
C13_4 C12_4 C10_4 117.4(17) . . ?
C14_4 C13_4 C33_4 118.6(17) . . ?
C14_4 C13_4 C12_4 122.2(18) . . ?
C33_4 C13_4 C12_4 119.2(17) . . ?
C13_4 C14_4 C18_4 122.2(18) . . ?
C13_4 C14_4 C15_4 121.5(18) . . ?
C18_4 C14_4 C15_4 116.1(17) . . ?
O16_4 C15_4 C14_4 128.2(18) . . ?
O16_4 C15_4 N9_4 116.0(18) . . ?
C14_4 C15_4 N9_4 115.0(17) . . ?
C12_4 C17_4 C38_4 125.0(19) . . ?
C12_4 C17_4 H17_4 117.5 . . ?
C38_4 C17_4 H17_4 117.5 . . ?
C37_4 C18_4 C14_4 118.5(17) . . ?
C37_4 C18_4 H18_4 120.8 . . ?
C14_4 C18_4 H18_4 120.8 . . ?
C22_4 N21_4 C26_4 114.9(17) . . ?
C22_4 N21_4 Fe2 130.2(14) . . ?
C26_4 N21_4 Fe2 114.8(13) . . ?
N21_4 C22_4 C23_4 124(2) . . ?
N21_4 C22_4 H22_4 118.2 . . ?
C23_4 C22_4 H22_4 118.2 . . ?
C24_4 C23_4 C22_4 116(2) . . ?
C24_4 C23_4 H23_4 121.9 . . ?
C22_4 C23_4 H23_4 121.9 . . ?
C23_4 C24_4 C25_4 123(2) . . ?
C23_4 C24_4 H24_4 118.6 . . ?
C25_4 C24_4 H24_4 118.6 . . ?
C26_4 C25_4 C24_4 115(2) . . ?
C26_4 C25_4 H25_4 122.3 . . ?
C24_4 C25_4 H25_4 122.3 . . ?
C25_4 C26_4 N21_4 127(2) . . ?
C25_4 C26_4 C27_4 121(2) . . ?
N21_4 C26_4 C27_4 111.7(17) . . ?
N28_4 C27_4 C26_4 117(2) . . ?
N28_4 C27_4 H27_4 121.6 . . ?
C26_4 C27_4 H27_4 121.6 . . ?
C27_4 N28_4 N29_4 112.2(16) . . ?
C27_4 N28_4 Fe2 116.1(15) . . ?
N29_4 N28_4 Fe2 131.7(11) . . ?
C30_4 N29_4 N28_4 121.7(15) . . ?
C30_4 N29_4 C35_4 122.4(16) . . ?
N28_4 N29_4 C35_4 115.9(14) . . ?
O31_4 C30_4 N29_4 117.2(17) . . ?
O31_4 C30_4 C32_4 121.9(17) . . ?
N29_4 C30_4 C32_4 120.7(17) . . ?
C37_4 C32_4 C30_4 123.9(18) . . ?
C37_4 C32_4 C33_4 117.8(17) . . ?
C30_4 C32_4 C33_4 118.2(16) . . ?
C34_4 C33_4 C13_4 121.3(17) . . ?
C34_4 C33_4 C32_4 118.7(17) . . ?
C13_4 C33_4 C32_4 119.9(16) . . ?
C33_4 C34_4 C35_4 123.7(18) . . ?
C33_4 C34_4 C38_4 118.2(18) . . ?
C35_4 C34_4 C38_4 118.1(17) . . ?
O36_4 C35_4 C34_4 126.1(18) . . ?
O36_4 C35_4 N29_4 117.2(17) . . ?
C34_4 C35_4 N29_4 116.3(17) . . ?
C32_4 C37_4 C18_4 122.9(18) . . ?
C32_4 C37_4 H37_4 118.6 . . ?
C18_4 C37_4 H37_4 118.6 . . ?
C17_4 C38_4 C34_4 118.1(17) . . ?
C17_4 C38_4 H38_4 120.9 . . ?
C34_4 C38_4 H38_4 120.9 . . ?
C6_5 N1_5 C2_5 118.1(16) . . ?
C6_5 N1_5 Fe3 113.6(13) . . ?
C2_5 N1_5 Fe3 128.1(13) . . ?
C3_5 C2_5 N1_5 122(2) . . ?
C3_5 C2_5 H2_5 118.9 . . ?
N1_5 C2_5 H2_5 118.9 . . ?
C4_5 C3_5 C2_5 117(2) . . ?
C4_5 C3_5 H3_5 121.7 . . ?
C2_5 C3_5 H3_5 121.7 . . ?
C3_5 C4_5 C5_5 126(2) . . ?
C3_5 C4_5 H4_5 117.2 . . ?
C5_5 C4_5 H4_5 117.2 . . ?
C4_5 C5_5 C6_5 115(2) . . ?
C4_5 C5_5 H5_5 122.6 . . ?
C6_5 C5_5 H5_5 122.6 . . ?
N1_5 C6_5 C5_5 122.5(19) . . ?
N1_5 C6_5 C7_5 115.2(18) . . ?
C5_5 C6_5 C7_5 122(2) . . ?
N8_5 C7_5 C6_5 115.7(19) . . ?
N8_5 C7_5 H7_5 122.2 . . ?
C6_5 C7_5 H7_5 122.2 . . ?
C7_5 N8_5 N9_5 112.5(16) . . ?
C7_5 N8_5 Fe3 114.7(14) . . ?
N9_5 N8_5 Fe3 132.7(12) . . ?
C15_5 N9_5 N8_5 118.8(16) . . ?
C15_5 N9_5 C10_5 128.6(19) . . ?
N8_5 N9_5 C10_5 112.3(17) . . ?
O11_5 C10_5 N9_5 123(2) . . ?
O11_5 C10_5 C12_5 123(2) . . ?
N9_5 C10_5 C12_5 113(2) . . ?
C17_5 C12_5 C13_5 121(2) . . ?
C17_5 C12_5 C10_5 118(2) . . ?
C13_5 C12_5 C10_5 120.1(18) . . ?
C12_5 C13_5 C14_5 122.5(19) . . ?
C12_5 C13_5 C33_5 119.7(18) . . ?
C14_5 C13_5 C33_5 117.8(19) . . ?
C18_5 C14_5 C13_5 122(2) . . ?
C18_5 C14_5 C15_5 118.6(18) . . ?
C13_5 C14_5 C15_5 119.6(19) . . ?
O16_5 C15_5 N9_5 121(2) . . ?
O16_5 C15_5 C14_5 124(2) . . ?
N9_5 C15_5 C14_5 115.5(19) . . ?
C12_5 C17_5 C38_5 118(2) . . ?
C12_5 C17_5 H17_5 120.9 . . ?
C38_5 C17_5 H17_5 120.9 . . ?
C14_5 C18_5 C37_5 120.5(18) . . ?
C14_5 C18_5 H18_5 119.8 . . ?
C37_5 C18_5 H18_5 119.8 . . ?
C26_5 N21_5 C22_5 119.1(17) . . ?
C26_5 N21_5 Fe4 114.5(14) . . ?
C22_5 N21_5 Fe4 126.3(13) . . ?
C23_5 C22_5 N21_5 119.4(19) . . ?
C23_5 C22_5 H22_5 120.3 . . ?
N21_5 C22_5 H22_5 120.3 . . ?
C22_5 C23_5 C24_5 121(2) . . ?
C22_5 C23_5 H23_5 119.7 . . ?
C24_5 C23_5 H23_5 119.7 . . ?
C25_5 C24_5 C23_5 119(2) . . ?
C25_5 C24_5 H24_5 120.6 . . ?
C23_5 C24_5 H24_5 120.6 . . ?
C26_5 C25_5 C24_5 119(2) . . ?
C26_5 C25_5 H25_5 120.6 . . ?
C24_5 C25_5 H25_5 120.6 . . ?
N21_5 C26_5 C25_5 123(2) . . ?
N21_5 C26_5 C27_5 114.6(18) . . ?
C25_5 C26_5 C27_5 122.5(19) . . ?
N28_5 C27_5 C26_5 114.2(18) . . ?
N28_5 C27_5 H27_5 122.9 . . ?
C26_5 C27_5 H27_5 122.9 . . ?
C27_5 N28_5 N29_5 110.5(15) . . ?
C27_5 N28_5 Fe4 117.4(14) . . ?
N29_5 N28_5 Fe4 131.9(12) . . ?
C35_5 N29_5 C30_5 128.8(18) . . ?
C35_5 N29_5 N28_5 116.1(16) . . ?
C30_5 N29_5 N28_5 113.6(16) . . ?
O31_5 C30_5 N29_5 123.0(19) . . ?
O31_5 C30_5 C32_5 123.3(19) . . ?
N29_5 C30_5 C32_5 113.7(19) . . ?
C37_5 C32_5 C33_5 123.7(19) . . ?
C37_5 C32_5 C30_5 117.1(18) . . ?
C33_5 C32_5 C30_5 118.9(18) . . ?
C32_5 C33_5 C34_5 123.5(19) . . ?
C32_5 C33_5 C13_5 117.6(17) . . ?
C34_5 C33_5 C13_5 118.8(19) . . ?
C38_5 C34_5 C33_5 119.4(19) . . ?
C38_5 C34_5 C35_5 121.1(18) . . ?
C33_5 C34_5 C35_5 119.5(19) . . ?
O36_5 C35_5 N29_5 125(2) . . ?
O36_5 C35_5 C34_5 120(2) . . ?
N29_5 C35_5 C34_5 114.2(19) . . ?
C32_5 C37_5 C18_5 118.5(19) . . ?
C32_5 C37_5 H37_5 120.8 . . ?
C18_5 C37_5 H37_5 120.8 . . ?
C34_5 C38_5 C17_5 122.7(19) . . ?
C34_5 C38_5 H38_5 118.7 . . ?
C17_5 C38_5 H38_5 118.7 . . ?
C2_6 N1_6 C6_6 120.1(16) . . ?
C2_6 N1_6 Fe2 125.5(12) . . ?
C6_6 N1_6 Fe2 114.4(12) . . ?
N1_6 C2_6 C3_6 119.4(19) . . ?
N1_6 C2_6 H2_6 120.3 . . ?
C3_6 C2_6 H2_6 120.3 . . ?
C2_6 C3_6 C4_6 122(2) . . ?
C2_6 C3_6 H3_6 118.9 . . ?
C4_6 C3_6 H3_6 118.9 . . ?
C3_6 C4_6 C5_6 116.5(19) . . ?
C3_6 C4_6 H4_6 121.7 . . ?
C5_6 C4_6 H4_6 121.7 . . ?
C6_6 C5_6 C4_6 119.8(19) . . ?
C6_6 C5_6 H5_6 120.1 . . ?
C4_6 C5_6 H5_6 120.1 . . ?
N1_6 C6_6 C5_6 121.8(18) . . ?
N1_6 C6_6 C7_6 115.5(16) . . ?
C5_6 C6_6 C7_6 122.4(18) . . ?
N8_6 C7_6 C6_6 111.1(16) . . ?
N8_6 C7_6 H7_6 124.4 . . ?
C6_6 C7_6 H7_6 124.4 . . ?
C7_6 N8_6 N9_6 110.0(14) . . ?
C7_6 N8_6 Fe2 119.8(12) . . ?
N9_6 N8_6 Fe2 129.6(10) . . ?
C10_6 N9_6 N8_6 118.4(17) . . ?
C10_6 N9_6 C15_6 123.2(18) . . ?
N8_6 N9_6 C15_6 118.4(16) . . ?
O11_6 C10_6 N9_6 119(2) . . ?
O11_6 C10_6 C12_6 119(2) . . ?
N9_6 C10_6 C12_6 122(2) . . ?
C17_6 C12_6 C13_6 121.5(19) . . ?
C17_6 C12_6 C10_6 122(2) . . ?
C13_6 C12_6 C10_6 116.4(19) . . ?
C12_6 C13_6 C14_6 124(2) . . ?
C12_6 C13_6 C33_6 120(2) . . ?
C14_6 C13_6 C33_6 117(2) . . ?
C13_6 C14_6 C18_6 123.5(19) . . ?
C13_6 C14_6 C15_6 121(2) . . ?
C18_6 C14_6 C15_6 115.8(19) . . ?
O16_6 C15_6 N9_6 117.6(19) . . ?
O16_6 C15_6 C14_6 128(2) . . ?
N9_6 C15_6 C14_6 114.2(19) . . ?
C12_6 C17_6 C38_6 119(2) . . ?
C12_6 C17_6 H17_6 120.3 . . ?
C38_6 C17_6 H17_6 120.3 . . ?
C14_6 C18_6 C37_6 118(2) . . ?
C14_6 C18_6 H18_6 120.9 . . ?
C37_6 C18_6 H18_6 120.9 . . ?
C26_6 N21_6 C22_6 118.8(19) . . ?
C26_6 N21_6 Fe4 114.7(15) . . ?
C22_6 N21_6 Fe4 126.3(15) . . ?
N21_6 C22_6 C23_6 121(2) . . ?
N21_6 C22_6 H22_6 119.7 . . ?
C23_6 C22_6 H22_6 119.7 . . ?
C24_6 C23_6 C22_6 117(2) . . ?
C24_6 C23_6 H23_6 121.5 . . ?
C22_6 C23_6 H23_6 121.5 . . ?
C25_6 C24_6 C23_6 125(2) . . ?
C25_6 C24_6 H24_6 117.5 . . ?
C23_6 C24_6 H24_6 117.5 . . ?
C24_6 C25_6 C26_6 114(2) . . ?
C24_6 C25_6 H25_6 123.1 . . ?
C26_6 C25_6 H25_6 123.1 . . ?
N21_6 C26_6 C25_6 125(2) . . ?
N21_6 C26_6 C27_6 114(2) . . ?
C25_6 C26_6 C27_6 121(2) . . ?
N28_6 C27_6 C26_6 113(2) . . ?
N28_6 C27_6 H27_6 123.6 . . ?
C26_6 C27_6 H27_6 123.6 . . ?
C27_6 N28_6 N29_6 109.5(17) . . ?
C27_6 N28_6 Fe4 117.6(15) . . ?
N29_6 N28_6 Fe4 131.4(12) . . ?
C30_6 N29_6 C35_6 130(2) . . ?
C30_6 N29_6 N28_6 117.1(18) . . ?
C35_6 N29_6 N28_6 113.0(17) . . ?
O31_6 C30_6 N29_6 125(2) . . ?
O31_6 C30_6 C32_6 119(2) . . ?
N29_6 C30_6 C32_6 116(2) . . ?
C37_6 C32_6 C33_6 117.9(19) . . ?
C37_6 C32_6 C30_6 123(2) . . ?
C33_6 C32_6 C30_6 118.8(19) . . ?
C34_6 C33_6 C13_6 121(2) . . ?
C34_6 C33_6 C32_6 117.3(19) . . ?
C13_6 C33_6 C32_6 121.3(19) . . ?
C33_6 C34_6 C38_6 116.1(19) . . ?
C33_6 C34_6 C35_6 126(2) . . ?
C38_6 C34_6 C35_6 118(2) . . ?
O36_6 C35_6 N29_6 122(2) . . ?
O36_6 C35_6 C34_6 126(2) . . ?
N29_6 C35_6 C34_6 112(2) . . ?
C32_6 C37_6 C18_6 122(2) . . ?
C32_6 C37_6 H37_6 118.8 . . ?
C18_6 C37_6 H37_6 118.8 . . ?
C17_6 C38_6 C34_6 121.9(19) . . ?
C17_6 C38_6 H38_6 119.0 . . ?
C34_6 C38_6 H38_6 119.0 . . ?
N1_8 Fe5 N1_7 92.7(7) . . ?
N1_8 Fe5 N8_9 89.7(6) . . ?
N1_7 Fe5 N8_9 172.5(6) . . ?
N1_8 Fe5 N1_9 92.8(8) . . ?
N1_7 Fe5 N1_9 92.5(6) . . ?
N8_9 Fe5 N1_9 80.3(6) . . ?
N1_8 Fe5 N8_8 79.9(8) . . ?
N1_7 Fe5 N8_8 88.8(7) . . ?
N8_9 Fe5 N8_8 98.5(6) . . ?
N1_9 Fe5 N8_8 172.6(7) . . ?
N1_8 Fe5 N8_7 172.4(7) . . ?
N1_7 Fe5 N8_7 80.0(7) . . ?
N8_9 Fe5 N8_7 97.8(6) . . ?
N1_9 Fe5 N8_7 89.5(6) . . ?
N8_8 Fe5 N8_7 97.9(7) . . ?
N21_7 Fe6 N1_10 92.6(7) . . ?
N21_7 Fe6 N8_11 174.1(7) . . ?
N1_10 Fe6 N8_11 88.6(7) . . ?
N21_7 Fe6 N1_11 92.5(7) . . ?
N1_10 Fe6 N1_11 91.0(7) . . ?
N8_11 Fe6 N1_11 81.6(6) . . ?
N21_7 Fe6 N28_7 79.2(8) . . ?
N1_10 Fe6 N28_7 171.5(7) . . ?
N8_11 Fe6 N28_7 99.8(7) . . ?
N1_11 Fe6 N28_7 91.6(8) . . ?
N21_7 Fe6 N8_10 89.7(6) . . ?
N1_10 Fe6 N8_10 80.8(6) . . ?
N8_11 Fe6 N8_10 96.2(6) . . ?
N1_11 Fe6 N8_10 171.6(7) . . ?
N28_7 Fe6 N8_10 96.8(6) . . ?
N21_10 Fe7 N21_8 92.9(10) . . ?
N21_10 Fe7 N28_8 171.4(9) . . ?
N21_8 Fe7 N28_8 79.1(10) . . ?
N21_10 Fe7 N28_10 81.9(7) . . ?
N21_8 Fe7 N28_10 88.8(8) . . ?
N28_8 Fe7 N28_10 94.7(7) . . ?
N21_10 Fe7 N1_12 87.6(8) . . ?
N21_8 Fe7 N1_12 90.7(8) . . ?
N28_8 Fe7 N1_12 95.5(9) . . ?
N28_10 Fe7 N1_12 169.5(8) . . ?
N21_10 Fe7 N8_12 89.6(8) . . ?
N21_8 Fe7 N8_12 170.7(8) . . ?
N28_8 Fe7 N8_12 98.8(8) . . ?
N28_10 Fe7 N8_12 100.4(6) . . ?
N1_12 Fe7 N8_12 80.5(6) . . ?
N21_11 Fe8 N28_11 81.7(7) . . ?
N21_11 Fe8 N21_9 87.9(9) . . ?
N28_11 Fe8 N21_9 87.0(9) . . ?
N21_11 Fe8 N21_12 92.9(9) . . ?
N28_11 Fe8 N21_12 174.6(9) . . ?
N21_9 Fe8 N21_12 93.2(9) . . ?
N21_11 Fe8 N28_9 168.8(9) . . ?
N28_11 Fe8 N28_9 97.9(7) . . ?
N21_9 Fe8 N28_9 80.9(7) . . ?
N21_12 Fe8 N28_9 87.5(9) . . ?
N21_11 Fe8 N28_12 93.7(9) . . ?
N28_11 Fe8 N28_12 100.7(7) . . ?
N21_9 Fe8 N28_12 172.2(8) . . ?
N21_12 Fe8 N28_12 79.1(7) . . ?
N28_9 Fe8 N28_12 97.3(7) . . ?
C6_7 N1_7 C2_7 115.9(17) . . ?
C6_7 N1_7 Fe5 115.9(13) . . ?
C2_7 N1_7 Fe5 128.1(14) . . ?
N1_7 C2_7 C3_7 122(2) . . ?
N1_7 C2_7 H2_7 119.0 . . ?
C3_7 C2_7 H2_7 119.0 . . ?
C2_7 C3_7 C4_7 121(2) . . ?
C2_7 C3_7 H3_7 119.5 . . ?
C4_7 C3_7 H3_7 119.5 . . ?
C5_7 C4_7 C3_7 116(2) . . ?
C5_7 C4_7 H4_7 121.9 . . ?
C3_7 C4_7 H4_7 121.9 . . ?
C4_7 C5_7 C6_7 121(2) . . ?
C4_7 C5_7 H5_7 119.4 . . ?
C6_7 C5_7 H5_7 119.4 . . ?
N1_7 C6_7 C5_7 123.2(19) . . ?
N1_7 C6_7 C7_7 111.9(17) . . ?
C5_7 C6_7 C7_7 124.6(19) . . ?
N8_7 C7_7 C6_7 118.3(19) . . ?
N8_7 C7_7 H7_7 120.8 . . ?
C6_7 C7_7 H7_7 120.8 . . ?
C7_7 N8_7 N9_7 114.0(16) . . ?
C7_7 N8_7 Fe5 113.6(14) . . ?
N9_7 N8_7 Fe5 132.4(11) . . ?
C10_7 N9_7 C15_7 131.6(18) . . ?
C10_7 N9_7 N8_7 110.5(16) . . ?
C15_7 N9_7 N8_7 117.2(16) . . ?
O11_7 C10_7 N9_7 125(2) . . ?
O11_7 C10_7 C12_7 122(2) . . ?
N9_7 C10_7 C12_7 113.1(19) . . ?
C17_7 C12_7 C13_7 121.6(19) . . ?
C17_7 C12_7 C10_7 119(2) . . ?
C13_7 C12_7 C10_7 119(2) . . ?
C14_7 C13_7 C12_7 123(2) . . ?
C14_7 C13_7 C33_7 119(2) . . ?
C12_7 C13_7 C33_7 119(2) . . ?
C18_7 C14_7 C13_7 121(2) . . ?
C18_7 C14_7 C15_7 116(2) . . ?
C13_7 C14_7 C15_7 123(2) . . ?
O16_7 C15_7 N9_7 122(2) . . ?
O16_7 C15_7 C14_7 128(2) . . ?
N9_7 C15_7 C14_7 110(2) . . ?
C12_7 C17_7 C38_7 119(2) . . ?
C12_7 C17_7 H17_7 120.4 . . ?
C38_7 C17_7 H17_7 120.4 . . ?
C14_7 C18_7 C37_7 120(2) . . ?
C14_7 C18_7 H18_7 120.1 . . ?
C37_7 C18_7 H18_7 120.1 . . ?
C26_7 N21_7 C22_7 113(2) . . ?
C26_7 N21_7 Fe6 118.4(16) . . ?
C22_7 N21_7 Fe6 128.9(16) . . ?
N21_7 C22_7 C23_7 122(2) . . ?
N21_7 C22_7 H22_7 119.0 . . ?
C23_7 C22_7 H22_7 119.0 . . ?
C24_7 C23_7 C22_7 124(2) . . ?
C24_7 C23_7 H23_7 118.2 . . ?
C22_7 C23_7 H23_7 118.2 . . ?
C23_7 C24_7 C25_7 116(2) . . ?
C23_7 C24_7 H24_7 122.2 . . ?
C25_7 C24_7 H24_7 122.2 . . ?
C26_7 C25_7 C24_7 117(2) . . ?
C26_7 C25_7 H25_7 121.5 . . ?
C24_7 C25_7 H25_7 121.5 . . ?
N21_7 C26_7 C25_7 129(2) . . ?
N21_7 C26_7 C27_7 112(2) . . ?
C25_7 C26_7 C27_7 119(2) . . ?
N28_7 C27_7 C26_7 113(2) . . ?
N28_7 C27_7 H27_7 123.4 . . ?
C26_7 C27_7 H27_7 123.4 . . ?
C27_7 N28_7 N29_7 113.3(17) . . ?
C27_7 N28_7 Fe6 117.0(15) . . ?
N29_7 N28_7 Fe6 129.3(13) . . ?
C30_7 N29_7 C35_7 130(2) . . ?
C30_7 N29_7 N28_7 116(2) . . ?
C35_7 N29_7 N28_7 113.7(18) . . ?
O31_7 C30_7 N29_7 125(3) . . ?
O31_7 C30_7 C32_7 120(3) . . ?
N29_7 C30_7 C32_7 115(2) . . ?
C37_7 C32_7 C33_7 121(2) . . ?
C37_7 C32_7 C30_7 119(2) . . ?
C33_7 C32_7 C30_7 119(2) . . ?
C34_7 C33_7 C32_7 120(2) . . ?
C34_7 C33_7 C13_7 120(2) . . ?
C32_7 C33_7 C13_7 120(2) . . ?
C33_7 C34_7 C38_7 120.6(19) . . ?
C33_7 C34_7 C35_7 126(2) . . ?
C38_7 C34_7 C35_7 114(2) . . ?
O36_7 C35_7 N29_7 120(2) . . ?
O36_7 C35_7 C34_7 130(2) . . ?
N29_7 C35_7 C34_7 110(2) . . ?
C32_7 C37_7 C18_7 119(2) . . ?
C32_7 C37_7 H37_7 120.5 . . ?
C18_7 C37_7 H37_7 120.5 . . ?
C34_7 C38_7 C17_7 119.9(19) . . ?
C34_7 C38_7 H38_7 120.1 . . ?
C17_7 C38_7 H38_7 120.1 . . ?
C6_8 N1_8 C2_8 119(2) . . ?
C6_8 N1_8 Fe5 112.1(16) . . ?
C2_8 N1_8 Fe5 129.3(17) . . ?
C3_8 C2_8 N1_8 122(3) . . ?
C3_8 C2_8 H2_8 119.0 . . ?
N1_8 C2_8 H2_8 119.0 . . ?
C2_8 C3_8 C4_8 121(3) . . ?
C2_8 C3_8 H3_8 119.3 . . ?
C4_8 C3_8 H3_8 119.3 . . ?
C5_8 C4_8 C3_8 118(3) . . ?
C5_8 C4_8 H4_8 120.8 . . ?
C3_8 C4_8 H4_8 120.8 . . ?
C4_8 C5_8 C6_8 117(3) . . ?
C4_8 C5_8 H5_8 121.6 . . ?
C6_8 C5_8 H5_8 121.6 . . ?
N1_8 C6_8 C7_8 120(2) . . ?
N1_8 C6_8 C5_8 122(2) . . ?
C7_8 C6_8 C5_8 116(2) . . ?
N8_8 C7_8 C6_8 112(2) . . ?
N8_8 C7_8 H7_8 124.2 . . ?
C6_8 C7_8 H7_8 124.2 . . ?
C7_8 N8_8 N9_8 114.4(17) . . ?
C7_8 N8_8 Fe5 116.2(15) . . ?
N9_8 N8_8 Fe5 129.5(12) . . ?
C10_8 N9_8 C15_8 127(2) . . ?
C10_8 N9_8 N8_8 116.1(18) . . ?
C15_8 N9_8 N8_8 116.8(18) . . ?
O11_8 C10_8 N9_8 119(2) . . ?
O11_8 C10_8 C12_8 124(2) . . ?
N9_8 C10_8 C12_8 117(2) . . ?
C17_8 C12_8 C13_8 120(2) . . ?
C17_8 C12_8 C10_8 121(2) . . ?
C13_8 C12_8 C10_8 118(2) . . ?
C12_8 C13_8 C14_8 126(2) . . ?
C12_8 C13_8 C33_8 120(2) . . ?
C14_8 C13_8 C33_8 114(2) . . ?
C18_8 C14_8 C13_8 126(2) . . ?
C18_8 C14_8 C15_8 119(2) . . ?
C13_8 C14_8 C15_8 115(2) . . ?
O16_8 C15_8 N9_8 123(2) . . ?
O16_8 C15_8 C14_8 121(2) . . ?
N9_8 C15_8 C14_8 116(2) . . ?
C12_8 C17_8 C38_8 121(2) . . ?
C12_8 C17_8 H17_8 119.6 . . ?
C38_8 C17_8 H17_8 119.6 . . ?
C14_8 C18_8 C37_8 116(2) . . ?
C14_8 C18_8 H18_8 122.2 . . ?
C37_8 C18_8 H18_8 122.2 . . ?
C26_8 N21_8 C22_8 115(2) . . ?
C26_8 N21_8 Fe7 119(2) . . ?
C22_8 N21_8 Fe7 127(2) . . ?
C23_8 C22_8 N21_8 119(3) . . ?
C23_8 C22_8 H22_8 120.6 . . ?
N21_8 C22_8 H22_8 120.6 . . ?
C22_8 C23_8 C24_8 125(3) . . ?
C22_8 C23_8 H23_8 117.3 . . ?
C24_8 C23_8 H23_8 117.3 . . ?
C23_8 C24_8 C25_8 115(3) . . ?
C23_8 C24_8 H24_8 122.7 . . ?
C25_8 C24_8 H24_8 122.7 . . ?
C26_8 C25_8 C24_8 118(3) . . ?
C26_8 C25_8 H25_8 121.1 . . ?
C24_8 C25_8 H25_8 121.1 . . ?
N21_8 C26_8 C25_8 128(3) . . ?
N21_8 C26_8 C27_8 111(3) . . ?
C25_8 C26_8 C27_8 120(3) . . ?
N28_8 C27_8 C26_8 114(3) . . ?
N28_8 C27_8 H27_8 123.1 . . ?
C26_8 C27_8 H27_8 123.1 . . ?
C27_8 N28_8 N29_8 112(2) . . ?
C27_8 N28_8 Fe7 116.0(19) . . ?
N29_8 N28_8 Fe7 128.1(16) . . ?
C30_8 N29_8 C35_8 126(2) . . ?
C30_8 N29_8 N28_8 114(2) . . ?
C35_8 N29_8 N28_8 119(2) . . ?
O31_8 C30_8 N29_8 122(2) . . ?
O31_8 C30_8 C32_8 122(3) . . ?
N29_8 C30_8 C32_8 116(2) . . ?
C33_8 C32_8 C37_8 119(2) . . ?
C33_8 C32_8 C30_8 123(2) . . ?
C37_8 C32_8 C30_8 118(2) . . ?
C32_8 C33_8 C13_8 123(2) . . ?
C32_8 C33_8 C34_8 120(2) . . ?
C13_8 C33_8 C34_8 116(2) . . ?
C38_8 C34_8 C33_8 124(3) . . ?
C38_8 C34_8 C35_8 117(2) . . ?
C33_8 C34_8 C35_8 119(2) . . ?
O36_8 C35_8 N29_8 124(3) . . ?
O36_8 C35_8 C34_8 121(3) . . ?
N29_8 C35_8 C34_8 115(2) . . ?
C32_8 C37_8 C18_8 121(2) . . ?
C32_8 C37_8 H37_8 119.3 . . ?
C18_8 C37_8 H37_8 119.3 . . ?
C34_8 C38_8 C17_8 119(2) . . ?
C34_8 C38_8 H38_8 120.5 . . ?
C17_8 C38_8 H38_8 120.5 . . ?
C6_9 N1_9 C2_9 118.2(12) . . ?
C6_9 N1_9 Fe5 114.6(10) . . ?
C2_9 N1_9 Fe5 127.2(11) . . ?
N1_9 C2_9 C3_9 121.0(13) . . ?
N1_9 C2_9 H2_9 119.5 . . ?
C3_9 C2_9 H2_9 119.5 . . ?
C4_9 C3_9 C2_9 117.9(14) . . ?
C4_9 C3_9 H3_9 121.1 . . ?
C2_9 C3_9 H3_9 121.1 . . ?
C3_9 C4_9 C5_9 122.5(14) . . ?
C3_9 C4_9 H4_9 118.7 . . ?
C5_9 C4_9 H4_9 118.7 . . ?
C6_9 C5_9 C4_9 115.0(13) . . ?
C6_9 C5_9 H5_9 122.5 . . ?
C4_9 C5_9 H5_9 122.5 . . ?
N1_9 C6_9 C5_9 125.3(13) . . ?
N1_9 C6_9 C7_9 113.9(12) . . ?
C5_9 C6_9 C7_9 120.8(13) . . ?
N8_9 C7_9 C6_9 117.1(13) . . ?
N8_9 C7_9 H7_9 121.4 . . ?
C6_9 C7_9 H7_9 121.4 . . ?
C7_9 N8_9 N9_9 112.9(12) . . ?
C7_9 N8_9 Fe5 114.1(9) . . ?
N9_9 N8_9 Fe5 132.9(11) . . ?
N8_9 N9_9 C10_9 117.6(11) . . ?
N8_9 N9_9 C15_9 116.0(10) . . ?
C10_9 N9_9 C15_9 126.2(11) . . ?
O11_9 C10_9 N9_9 119.1(12) . . ?
O11_9 C10_9 C12_9 125.2(13) . . ?
N9_9 C10_9 C12_9 115.4(12) . . ?
C17_9 C12_9 C13_9 117.9(12) . . ?
C17_9 C12_9 C10_9 120.9(12) . . ?
C13_9 C12_9 C10_9 120.9(12) . . ?
C33_9 C13_9 C12_9 120.8(12) . . ?
C33_9 C13_9 C14_9 118.7(11) . . ?
C12_9 C13_9 C14_9 119.5(12) . . ?
C18_9 C14_9 C13_9 118.6(12) . . ?
C18_9 C14_9 C15_9 119.8(12) . . ?
C13_9 C14_9 C15_9 121.5(12) . . ?
O16_9 C15_9 N9_9 119.6(12) . . ?
O16_9 C15_9 C14_9 125.1(13) . . ?
N9_9 C15_9 C14_9 115.1(11) . . ?
C38_9 C17_9 C12_9 122.2(13) . . ?
C38_9 C17_9 H17_9 118.9 . . ?
C12_9 C17_9 H17_9 118.9 . . ?
C14_9 C18_9 C37_9 122.9(13) . . ?
C14_9 C18_9 H18_9 118.5 . . ?
C37_9 C18_9 H18_9 118.5 . . ?
C26_9 N21_9 C22_9 118.1(14) . . ?
C26_9 N21_9 Fe8 113.8(12) . . ?
C22_9 N21_9 Fe8 127.6(14) . . ?
N21_9 C22_9 C23_9 119.5(16) . . ?
N21_9 C22_9 H22_9 120.2 . . ?
C23_9 C22_9 H22_9 120.2 . . ?
C24_9 C23_9 C22_9 121.6(16) . . ?
C24_9 C23_9 H23_9 119.2 . . ?
C22_9 C23_9 H23_9 119.2 . . ?
C23_9 C24_9 C25_9 120.1(16) . . ?
C23_9 C24_9 H24_9 119.9 . . ?
C25_9 C24_9 H24_9 119.9 . . ?
C26_9 C25_9 C24_9 113.8(15) . . ?
C26_9 C25_9 H25_9 123.1 . . ?
C24_9 C25_9 H25_9 123.1 . . ?
N21_9 C26_9 C25_9 126.5(15) . . ?
N21_9 C26_9 C27_9 117.0(14) . . ?
C25_9 C26_9 C27_9 116.5(15) . . ?
N28_9 C27_9 C26_9 112.5(14) . . ?
N28_9 C27_9 H27_9 123.7 . . ?
C26_9 C27_9 H27_9 123.7 . . ?
C27_9 N28_9 N29_9 111.5(13) . . ?
C27_9 N28_9 Fe8 115.7(10) . . ?
N29_9 N28_9 Fe8 131.3(12) . . ?
C35_9 N29_9 N28_9 116.7(11) . . ?
C35_9 N29_9 C30_9 124.6(13) . . ?
N28_9 N29_9 C30_9 114.9(11) . . ?
O31_9 C30_9 C32_9 129.5(14) . . ?
O31_9 C30_9 N29_9 117.1(13) . . ?
C32_9 C30_9 N29_9 113.2(12) . . ?
C37_9 C32_9 C33_9 119.4(12) . . ?
C37_9 C32_9 C30_9 117.0(12) . . ?
C33_9 C32_9 C30_9 123.0(12) . . ?
C32_9 C33_9 C13_9 121.0(12) . . ?
C32_9 C33_9 C34_9 120.3(12) . . ?
C13_9 C33_9 C34_9 118.2(11) . . ?
C38_9 C34_9 C33_9 120.4(12) . . ?
C38_9 C34_9 C35_9 120.1(12) . . ?
C33_9 C34_9 C35_9 118.6(12) . . ?
O36_9 C35_9 N29_9 122.7(13) . . ?
O36_9 C35_9 C34_9 120.9(13) . . ?
N29_9 C35_9 C34_9 116.1(12) . . ?
C32_9 C37_9 C18_9 118.2(12) . . ?
C32_9 C37_9 H37_9 120.9 . . ?
C18_9 C37_9 H37_9 120.9 . . ?
C34_9 C38_9 C17_9 120.0(13) . . ?
C34_9 C38_9 H38_9 120.0 . . ?
C17_9 C38_9 H38_9 120.0 . . ?
C6_10 N1_10 C2_10 118.5(13) . . ?
C6_10 N1_10 Fe6 114.9(10) . . ?
C2_10 N1_10 Fe6 126.7(12) . . ?
N1_10 C2_10 C3_10 120.4(14) . . ?
N1_10 C2_10 H2_10 119.8 . . ?
C3_10 C2_10 H2_10 119.8 . . ?
C4_10 C3_10 C2_10 117.6(15) . . ?
C4_10 C3_10 H3_10 121.2 . . ?
C2_10 C3_10 H3_10 121.2 . . ?
C3_10 C4_10 C5_10 122.8(15) . . ?
C3_10 C4_10 H4_10 118.6 . . ?
C5_10 C4_10 H4_10 118.6 . . ?
C6_10 C5_10 C4_10 114.5(14) . . ?
C6_10 C5_10 H5_10 122.7 . . ?
C4_10 C5_10 H5_10 122.7 . . ?
N1_10 C6_10 C5_10 125.3(14) . . ?
N1_10 C6_10 C7_10 114.1(13) . . ?
C5_10 C6_10 C7_10 120.2(14) . . ?
N8_10 C7_10 C6_10 117.7(13) . . ?
N8_10 C7_10 H7_10 121.1 . . ?
C6_10 C7_10 H7_10 121.1 . . ?
C7_10 N8_10 N9_10 112.9(12) . . ?
C7_10 N8_10 Fe6 112.1(9) . . ?
N9_10 N8_10 Fe6 134.6(10) . . ?
N8_10 N9_10 C10_10 116.0(10) . . ?
N8_10 N9_10 C15_10 117.5(10) . . ?
C10_10 N9_10 C15_10 126.3(11) . . ?
O11_10 C10_10 N9_10 118.6(12) . . ?
O11_10 C10_10 C12_10 125.1(13) . . ?
N9_10 C10_10 C12_10 116.1(11) . . ?
C17_10 C12_10 C13_10 117.6(11) . . ?
C17_10 C12_10 C10_10 121.1(12) . . ?
C13_10 C12_10 C10_10 121.3(11) . . ?
C33_10 C13_10 C12_10 120.5(11) . . ?
C33_10 C13_10 C14_10 120.2(11) . . ?
C12_10 C13_10 C14_10 119.2(11) . . ?
C18_10 C14_10 C13_10 118.1(12) . . ?
C18_10 C14_10 C15_10 119.6(12) . . ?
C13_10 C14_10 C15_10 122.2(11) . . ?
O16_10 C15_10 N9_10 120.8(12) . . ?
O16_10 C15_10 C14_10 124.4(12) . . ?
N9_10 C15_10 C14_10 114.4(11) . . ?
C38_10 C17_10 C12_10 123.0(12) . . ?
C38_10 C17_10 H17_10 118.5 . . ?
C12_10 C17_10 H17_10 118.5 . . ?
C14_10 C18_10 C37_10 122.4(12) . . ?
C14_10 C18_10 H18_10 118.8 . . ?
C37_10 C18_10 H18_10 118.8 . . ?
C26_10 N21_10 C22_10 118.6(14) . . ?
C26_10 N21_10 Fe7 113.3(12) . . ?
C22_10 N21_10 Fe7 127.7(13) . . ?
N21_10 C22_10 C23_10 120.6(15) . . ?
N21_10 C22_10 H22_10 119.7 . . ?
C23_10 C22_10 H22_10 119.7 . . ?
C24_10 C23_10 C22_10 120.0(16) . . ?
C24_10 C23_10 H23_10 120.0 . . ?
C22_10 C23_10 H23_10 120.0 . . ?
C23_10 C24_10 C25_10 120.7(16) . . ?
C23_10 C24_10 H24_10 119.7 . . ?
C25_10 C24_10 H24_10 119.7 . . ?
C26_10 C25_10 C24_10 114.5(15) . . ?
C26_10 C25_10 H25_10 122.7 . . ?
C24_10 C25_10 H25_10 122.7 . . ?
N21_10 C26_10 C25_10 124.7(15) . . ?
N21_10 C26_10 C27_10 116.8(14) . . ?
C25_10 C26_10 C27_10 117.1(15) . . ?
N28_10 C27_10 C26_10 112.4(14) . . ?
N28_10 C27_10 H27_10 123.8 . . ?
C26_10 C27_10 H27_10 123.8 . . ?
C27_10 N28_10 N29_10 111.6(13) . . ?
C27_10 N28_10 Fe7 114.8(10) . . ?
N29_10 N28_10 Fe7 133.6(12) . . ?
C35_10 N29_10 N28_10 118.0(11) . . ?
C35_10 N29_10 C30_10 125.6(12) . . ?
N28_10 N29_10 C30_10 116.4(11) . . ?
O31_10 C30_10 C32_10 130.2(14) . . ?
O31_10 C30_10 N29_10 116.1(13) . . ?
C32_10 C30_10 N29_10 113.7(12) . . ?
C37_10 C32_10 C33_10 119.1(12) . . ?
C37_10 C32_10 C30_10 117.3(12) . . ?
C33_10 C32_10 C30_10 122.9(12) . . ?
C32_10 C33_10 C13_10 121.0(11) . . ?
C32_10 C33_10 C34_10 120.1(11) . . ?
C13_10 C33_10 C34_10 118.9(11) . . ?
C38_10 C34_10 C33_10 120.3(12) . . ?
C38_10 C34_10 C35_10 119.8(12) . . ?
C33_10 C34_10 C35_10 119.8(11) . . ?
O36_10 C35_10 N29_10 121.0(13) . . ?
O36_10 C35_10 C34_10 121.8(13) . . ?
N29_10 C35_10 C34_10 117.1(12) . . ?
C32_10 C37_10 C18_10 119.2(12) . . ?
C32_10 C37_10 H37_10 120.4 . . ?
C18_10 C37_10 H37_10 120.4 . . ?
C34_10 C38_10 C17_10 119.5(12) . . ?
C34_10 C38_10 H38_10 120.3 . . ?
C17_10 C38_10 H38_10 120.3 . . ?
C6_11 N1_11 C2_11 118.7(13) . . ?
C6_11 N1_11 Fe6 113.6(11) . . ?
C2_11 N1_11 Fe6 127.0(13) . . ?
N1_11 C2_11 C3_11 121.2(14) . . ?
N1_11 C2_11 H2_11 119.4 . . ?
C3_11 C2_11 H2_11 119.4 . . ?
C4_11 C3_11 C2_11 116.7(15) . . ?
C4_11 C3_11 H3_11 121.6 . . ?
C2_11 C3_11 H3_11 121.6 . . ?
C3_11 C4_11 C5_11 122.4(16) . . ?
C3_11 C4_11 H4_11 118.8 . . ?
C5_11 C4_11 H4_11 118.8 . . ?
C6_11 C5_11 C4_11 114.3(15) . . ?
C6_11 C5_11 H5_11 122.9 . . ?
C4_11 C5_11 H5_11 122.9 . . ?
N1_11 C6_11 C5_11 124.2(14) . . ?
N1_11 C6_11 C7_11 114.2(13) . . ?
C5_11 C6_11 C7_11 121.6(15) . . ?
N8_11 C7_11 C6_11 117.1(14) . . ?
N8_11 C7_11 H7_11 121.4 . . ?
C6_11 C7_11 H7_11 121.4 . . ?
C7_11 N8_11 N9_11 113.6(12) . . ?
C7_11 N8_11 Fe6 113.3(10) . . ?
N9_11 N8_11 Fe6 132.4(12) . . ?
N8_11 N9_11 C10_11 116.7(11) . . ?
N8_11 N9_11 C15_11 117.3(11) . . ?
C10_11 N9_11 C15_11 125.9(11) . . ?
O11_11 C10_11 N9_11 118.7(13) . . ?
O11_11 C10_11 C12_11 125.3(13) . . ?
N9_11 C10_11 C12_11 115.7(12) . . ?
C17_11 C12_11 C13_11 117.7(12) . . ?
C17_11 C12_11 C10_11 120.2(12) . . ?
C13_11 C12_11 C10_11 122.1(12) . . ?
C33_11 C13_11 C12_11 121.0(11) . . ?
C33_11 C13_11 C14_11 119.9(11) . . ?
C12_11 C13_11 C14_11 119.1(11) . . ?
C18_11 C14_11 C13_11 118.4(12) . . ?
C18_11 C14_11 C15_11 119.9(12) . . ?
C13_11 C14_11 C15_11 121.8(12) . . ?
O16_11 C15_11 N9_11 120.4(13) . . ?
O16_11 C15_11 C14_11 124.1(13) . . ?
N9_11 C15_11 C14_11 115.4(12) . . ?
C38_11 C17_11 C12_11 122.6(12) . . ?
C38_11 C17_11 H17_11 118.7 . . ?
C12_11 C17_11 H17_11 118.7 . . ?
C14_11 C18_11 C37_11 122.2(13) . . ?
C14_11 C18_11 H18_11 118.9 . . ?
C37_11 C18_11 H18_11 118.9 . . ?
C26_11 N21_11 C22_11 117.4(14) . . ?
C26_11 N21_11 Fe8 113.2(11) . . ?
C22_11 N21_11 Fe8 128.7(13) . . ?
N21_11 C22_11 C23_11 120.6(15) . . ?
N21_11 C22_11 H22_11 119.7 . . ?
C23_11 C22_11 H22_11 119.7 . . ?
C24_11 C23_11 C22_11 120.2(16) . . ?
C24_11 C23_11 H23_11 119.9 . . ?
C22_11 C23_11 H23_11 119.9 . . ?
C23_11 C24_11 C25_11 120.5(16) . . ?
C23_11 C24_11 H24_11 119.8 . . ?
C25_11 C24_11 H24_11 119.8 . . ?
C26_11 C25_11 C24_11 114.6(15) . . ?
C26_11 C25_11 H25_11 122.7 . . ?
C24_11 C25_11 H25_11 122.7 . . ?
N21_11 C26_11 C25_11 125.6(15) . . ?
N21_11 C26_11 C27_11 116.4(14) . . ?
C25_11 C26_11 C27_11 117.6(15) . . ?
N28_11 C27_11 C26_11 113.1(14) . . ?
N28_11 C27_11 H27_11 123.4 . . ?
C26_11 C27_11 H27_11 123.4 . . ?
C27_11 N28_11 N29_11 112.5(12) . . ?
C27_11 N28_11 Fe8 115.3(10) . . ?
N29_11 N28_11 Fe8 131.7(12) . . ?
C35_11 N29_11 N28_11 116.6(11) . . ?
C35_11 N29_11 C30_11 126.4(12) . . ?
N28_11 N29_11 C30_11 116.4(11) . . ?
O31_11 C30_11 C32_11 130.2(15) . . ?
O31_11 C30_11 N29_11 115.9(13) . . ?
C32_11 C30_11 N29_11 113.7(12) . . ?
C37_11 C32_11 C33_11 119.0(12) . . ?
C37_11 C32_11 C30_11 117.9(12) . . ?
C33_11 C32_11 C30_11 123.0(12) . . ?
C13_11 C33_11 C32_11 121.0(12) . . ?
C13_11 C33_11 C34_11 118.5(11) . . ?
C32_11 C33_11 C34_11 120.5(12) . . ?
C38_11 C34_11 C33_11 120.2(12) . . ?
C38_11 C34_11 C35_11 119.9(12) . . ?
C33_11 C34_11 C35_11 119.6(12) . . ?
O36_11 C35_11 N29_11 119.9(13) . . ?
O36_11 C35_11 C34_11 122.7(13) . . ?
N29_11 C35_11 C34_11 116.5(12) . . ?
C32_11 C37_11 C18_11 119.3(13) . . ?
C32_11 C37_11 H37_11 120.3 . . ?
C18_11 C37_11 H37_11 120.3 . . ?
C34_11 C38_11 C17_11 120.1(13) . . ?
C34_11 C38_11 H38_11 120.0 . . ?
C17_11 C38_11 H38_11 120.0 . . ?
C6_12 N1_12 C2_12 117.5(13) . . ?
C6_12 N1_12 Fe7 113.8(10) . . ?
C2_12 N1_12 Fe7 127.8(12) . . ?
N1_12 C2_12 C3_12 121.7(14) . . ?
N1_12 C2_12 H2_12 119.1 . . ?
C3_12 C2_12 H2_12 119.1 . . ?
C4_12 C3_12 C2_12 116.6(14) . . ?
C4_12 C3_12 H3_12 121.7 . . ?
C2_12 C3_12 H3_12 121.7 . . ?
C3_12 C4_12 C5_12 123.2(15) . . ?
C3_12 C4_12 H4_12 118.4 . . ?
C5_12 C4_12 H4_12 118.4 . . ?
C6_12 C5_12 C4_12 115.3(14) . . ?
C6_12 C5_12 H5_12 122.3 . . ?
C4_12 C5_12 H5_12 122.3 . . ?
N1_12 C6_12 C5_12 124.1(14) . . ?
N1_12 C6_12 C7_12 113.7(13) . . ?
C5_12 C6_12 C7_12 121.9(14) . . ?
N8_12 C7_12 C6_12 118.5(14) . . ?
N8_12 C7_12 H7_12 120.8 . . ?
C6_12 C7_12 H7_12 120.8 . . ?
C7_12 N8_12 N9_12 113.3(12) . . ?
C7_12 N8_12 Fe7 112.1(10) . . ?
N9_12 N8_12 Fe7 134.5(12) . . ?
N8_12 N9_12 C10_12 117.6(11) . . ?
N8_12 N9_12 C15_12 116.1(11) . . ?
C10_12 N9_12 C15_12 124.3(12) . . ?
O11_12 C10_12 N9_12 118.8(13) . . ?
O11_12 C10_12 C12_12 124.6(14) . . ?
N9_12 C10_12 C12_12 116.3(12) . . ?
C17_12 C12_12 C13_12 116.9(12) . . ?
C17_12 C12_12 C10_12 121.7(12) . . ?
C13_12 C12_12 C10_12 121.1(12) . . ?
C33_12 C13_12 C12_12 120.8(12) . . ?
C33_12 C13_12 C14_12 120.0(11) . . ?
C12_12 C13_12 C14_12 119.1(12) . . ?
C18_12 C14_12 C13_12 118.5(12) . . ?
C18_12 C14_12 C15_12 119.3(12) . . ?
C13_12 C14_12 C15_12 122.1(12) . . ?
O16_12 C15_12 N9_12 120.4(13) . . ?
O16_12 C15_12 C14_12 124.6(13) . . ?
N9_12 C15_12 C14_12 114.9(12) . . ?
C38_12 C17_12 C12_12 123.5(13) . . ?
C38_12 C17_12 H17_12 118.2 . . ?
C12_12 C17_12 H17_12 118.2 . . ?
C14_12 C18_12 C37_12 122.1(13) . . ?
C14_12 C18_12 H18_12 119.0 . . ?
C37_12 C18_12 H18_12 119.0 . . ?
C26_12 N21_12 C22_12 119.7(14) . . ?
C26_12 N21_12 Fe8 114.9(12) . . ?
C22_12 N21_12 Fe8 125.3(14) . . ?
N21_12 C22_12 C23_12 119.2(16) . . ?
N21_12 C22_12 H22_12 120.4 . . ?
C23_12 C22_12 H22_12 120.4 . . ?
C24_12 C23_12 C22_12 119.4(17) . . ?
C24_12 C23_12 H23_12 120.3 . . ?
C22_12 C23_12 H23_12 120.3 . . ?
C23_12 C24_12 C25_12 120.9(16) . . ?
C23_12 C24_12 H24_12 119.6 . . ?
C25_12 C24_12 H24_12 119.6 . . ?
C26_12 C25_12 C24_12 113.7(15) . . ?
C26_12 C25_12 H25_12 123.1 . . ?
C24_12 C25_12 H25_12 123.1 . . ?
N21_12 C26_12 C25_12 124.5(16) . . ?
N21_12 C26_12 C27_12 117.3(15) . . ?
C25_12 C26_12 C27_12 116.0(16) . . ?
N28_12 C27_12 C26_12 111.3(14) . . ?
N28_12 C27_12 H27_12 124.4 . . ?
C26_12 C27_12 H27_12 124.4 . . ?
C27_12 N28_12 N29_12 111.3(13) . . ?
C27_12 N28_12 Fe8 116.3(10) . . ?
N29_12 N28_12 Fe8 131.7(11) . . ?
C35_12 N29_12 N28_12 118.8(12) . . ?
C35_12 N29_12 C30_12 126.4(12) . . ?
N28_12 N29_12 C30_12 114.6(11) . . ?
O31_12 C30_12 C32_12 131.0(15) . . ?
O31_12 C30_12 N29_12 115.4(13) . . ?
C32_12 C30_12 N29_12 113.4(12) . . ?
C37_12 C32_12 C33_12 119.8(12) . . ?
C37_12 C32_12 C30_12 117.1(12) . . ?
C33_12 C32_12 C30_12 123.1(12) . . ?
C13_12 C33_12 C32_12 120.3(12) . . ?
C13_12 C33_12 C34_12 119.5(12) . . ?
C32_12 C33_12 C34_12 120.2(12) . . ?
C38_12 C34_12 C33_12 119.2(12) . . ?
C38_12 C34_12 C35_12 121.0(12) . . ?
C33_12 C34_12 C35_12 119.8(12) . . ?
O36_12 C35_12 N29_12 120.4(13) . . ?
O36_12 C35_12 C34_12 123.0(14) . . ?
N29_12 C35_12 C34_12 116.6(12) . . ?
C32_12 C37_12 C18_12 119.0(12) . . ?
C32_12 C37_12 H37_12 120.5 . . ?
C18_12 C37_12 H37_12 120.5 . . ?
C34_12 C38_12 C17_12 120.0(13) . . ?
C34_12 C38_12 H38_12 120.0 . . ?
C17_12 C38_12 H38_12 120.0 . . ?
F2_21 B1_21 F4_21 109.5(7) . . ?
F2_21 B1_21 F3_21 109.2(7) . . ?
F4_21 B1_21 F3_21 109.6(7) . . ?
F2_21 B1_21 F5_21 110.3(7) . . ?
F4_21 B1_21 F5_21 109.4(7) . . ?
F3_21 B1_21 F5_21 108.9(7) . . ?
F5_22 B1_22 F4_22 109.8(7) . . ?
F5_22 B1_22 F3_22 109.1(7) . . ?
F4_22 B1_22 F3_22 109.4(7) . . ?
F5_22 B1_22 F2_22 109.2(7) . . ?
F4_22 B1_22 F2_22 109.0(7) . . ?
F3_22 B1_22 F2_22 110.3(7) . . ?
F2_23 B1_23 F3_23 109.6(7) . . ?
F2_23 B1_23 F4_23 109.8(7) . . ?
F3_23 B1_23 F4_23 108.8(7) . . ?
F2_23 B1_23 F5_23 109.1(7) . . ?
F3_23 B1_23 F5_23 110.1(7) . . ?
F4_23 B1_23 F5_23 109.5(7) . . ?
F4_24 B1_24 F2_24 109.8(7) . . ?
F4_24 B1_24 F5_24 109.1(7) . . ?
F2_24 B1_24 F5_24 110.5(7) . . ?
F4_24 B1_24 F3_24 109.2(7) . . ?
F2_24 B1_24 F3_24 108.7(7) . . ?
F5_24 B1_24 F3_24 109.5(7) . . ?
F3_25 B1_25 F4_25 110.1(7) . . ?
F3_25 B1_25 F2_25 109.1(7) . . ?
F4_25 B1_25 F2_25 109.3(7) . . ?
F3_25 B1_25 F5_25 109.1(7) . . ?
F4_25 B1_25 F5_25 109.7(7) . . ?
F2_25 B1_25 F5_25 109.6(7) . . ?
F3_26 B1_26 F4_26 109.2(7) . . ?
F3_26 B1_26 F2_26 109.5(7) . . ?
F4_26 B1_26 F2_26 109.2(7) . . ?
F3_26 B1_26 F5_26 110.0(7) . . ?
F4_26 B1_26 F5_26 109.3(7) . . ?
F2_26 B1_26 F5_26 109.6(7) . . ?
F3_27 B1_27 F2_27 109.2(7) . . ?
F3_27 B1_27 F4_27 109.7(7) . . ?
F2_27 B1_27 F4_27 109.5(7) . . ?
F3_27 B1_27 F5_27 109.5(7) . . ?
F2_27 B1_27 F5_27 109.7(7) . . ?
F4_27 B1_27 F5_27 109.4(7) . . ?
F2_28 B1_28 F5_28 109.2(7) . . ?
F2_28 B1_28 F4_28 109.3(7) . . ?
F5_28 B1_28 F4_28 109.3(7) . . ?
F2_28 B1_28 F3_28 110.0(7) . . ?
F5_28 B1_28 F3_28 109.3(7) . . ?
F4_28 B1_28 F3_28 109.7(7) . . ?
F3_29 B1_29 F5_29 108.6(7) . . ?
F3_29 B1_29 F2_29 109.2(7) . . ?
F5_29 B1_29 F2_29 109.6(7) . . ?
F3_29 B1_29 F4_29 110.1(7) . . ?
F5_29 B1_29 F4_29 109.6(7) . . ?
F2_29 B1_29 F4_29 109.8(7) . . ?
F2_30 B1_30 F3_30 109.3(7) . . ?
F2_30 B1_30 F5_30 109.4(7) . . ?
F3_30 B1_30 F5_30 109.8(7) . . ?
F2_30 B1_30 F4_30 109.8(7) . . ?
F3_30 B1_30 F4_30 109.5(7) . . ?
F5_30 B1_30 F4_30 109.0(7) . . ?
F4_31 B1_31 F2_31 109.4(7) . . ?
F4_31 B1_31 F3_31 110.4(7) . . ?
F2_31 B1_31 F3_31 109.3(7) . . ?
F4_31 B1_31 F5_31 109.4(7) . . ?
F2_31 B1_31 F5_31 109.2(7) . . ?
F3_31 B1_31 F5_31 109.1(7) . . ?
F5_32 B1_32 F2_32 109.5(7) . . ?
F5_32 B1_32 F4_32 109.1(7) . . ?
F2_32 B1_32 F4_32 109.6(7) . . ?
F5_32 B1_32 F3_32 109.5(7) . . ?
F2_32 B1_32 F3_32 109.6(7) . . ?
F4_32 B1_32 F3_32 109.5(7) . . ?
F2_33 B1_33 F5_33 109.5(7) . . ?
F2_33 B1_33 F3_33 109.6(7) . . ?
F5_33 B1_33 F3_33 109.5(7) . . ?
F2_33 B1_33 F4_33 109.6(7) . . ?
F5_33 B1_33 F4_33 109.6(7) . . ?
F3_33 B1_33 F4_33 109.1(7) . . ?
F4_34 B1_34 F5_34 109.3(7) . . ?
F4_34 B1_34 F2_34 109.6(7) . . ?
F5_34 B1_34 F2_34 109.6(7) . . ?
F4_34 B1_34 F3_34 109.3(7) . . ?
F5_34 B1_34 F3_34 109.7(7) . . ?
F2_34 B1_34 F3_34 109.3(7) . . ?
F5_35 B1_35 F4_35 109.4(7) . . ?
F5_35 B1_35 F3_35 109.6(7) . . ?
F4_35 B1_35 F3_35 109.6(7) . . ?
F5_35 B1_35 F2_35 109.4(7) . . ?
F4_35 B1_35 F2_35 109.3(7) . . ?
F3_35 B1_35 F2_35 109.5(7) . . ?
F5_36 B1_36 F4_36 109.5(7) . . ?
F5_36 B1_36 F3_36 109.4(7) . . ?
F4_36 B1_36 F3_36 109.5(7) . . ?
F5_36 B1_36 F2_36 109.4(7) . . ?
F4_36 B1_36 F2_36 109.5(7) . . ?
F3_36 B1_36 F2_36 109.5(7) . . ?
F4_37 B1_37 F3_37 109.6(7) . . ?
F4_37 B1_37 F5_37 109.7(7) . . ?
F3_37 B1_37 F5_37 109.3(7) . . ?
F4_37 B1_37 F2_37 109.2(7) . . ?
F3_37 B1_37 F2_37 109.7(7) . . ?
F5_37 B1_37 F2_37 109.3(7) . . ?
F2_38 B1_38 F3_38 109.5(7) . . ?
F2_38 B1_38 F5_38 109.2(7) . . ?
F3_38 B1_38 F5_38 109.5(7) . . ?
F2_38 B1_38 F4_38 109.5(7) . . ?
F3_38 B1_38 F4_38 109.8(7) . . ?
F5_38 B1_38 F4_38 109.5(7) . . ?
F5_39 B1_39 F3_39 109.6(7) . . ?
F5_39 B1_39 F4_39 109.4(7) . . ?
F3_39 B1_39 F4_39 109.5(7) . . ?
F5_39 B1_39 F2_39 109.4(7) . . ?
F3_39 B1_39 F2_39 109.7(7) . . ?
F4_39 B1_39 F2_39 109.2(7) . . ?
F5_40 B1_40 F4_40 109.9(7) . . ?
F5_40 B1_40 F3_40 109.1(6) . . ?
F4_40 B1_40 F3_40 109.5(7) . . ?
F5_40 B1_40 F2_40 109.4(7) . . ?
F4_40 B1_40 F2_40 108.9(6) . . ?
F3_40 B1_40 F2_40 110.0(6) . . ?
N1_42 C2_42 C3_42 176(3) . . ?
C2_42 C3_42 H3A_42 109.5 . . ?
C2_42 C3_42 H3B_42 109.5 . . ?
H3A_42 C3_42 H3B_42 109.5 . . ?
C2_42 C3_42 H3C_42 109.5 . . ?
H3A_42 C3_42 H3C_42 109.5 . . ?
H3B_42 C3_42 H3C_42 109.5 . . ?
N1_43 C2_43 C3_43 178(3) . . ?
C2_43 C3_43 H3A_43 109.5 . . ?
C2_43 C3_43 H3B_43 109.5 . . ?
H3A_43 C3_43 H3B_43 109.5 . . ?
C2_43 C3_43 H3C_43 109.5 . . ?
H3A_43 C3_43 H3C_43 109.5 . . ?
H3B_43 C3_43 H3C_43 109.5 . . ?
C5_51 O1_51 C2_51 105(2) . . ?
O1_51 C2_51 C3_51 105(2) . . ?
O1_51 C2_51 H2A_51 110.8 . . ?
C3_51 C2_51 H2A_51 110.8 . . ?
O1_51 C2_51 H2B_51 110.8 . . ?
C3_51 C2_51 H2B_51 110.8 . . ?
H2A_51 C2_51 H2B_51 108.9 . . ?
C4_51 C3_51 C2_51 100(2) . . ?
C4_51 C3_51 H3A_51 111.8 . . ?
C2_51 C3_51 H3A_51 111.8 . . ?
C4_51 C3_51 H3B_51 111.8 . . ?
C2_51 C3_51 H3B_51 111.8 . . ?
H3A_51 C3_51 H3B_51 109.6 . . ?
C3_51 C4_51 C5_51 105(2) . . ?
C3_51 C4_51 H4A_51 110.7 . . ?
C5_51 C4_51 H4A_51 110.7 . . ?
C3_51 C4_51 H4B_51 110.7 . . ?
C5_51 C4_51 H4B_51 110.7 . . ?
H4A_51 C4_51 H4B_51 108.8 . . ?
O1_51 C5_51 C4_51 108(2) . . ?
O1_51 C5_51 H5A_51 110.2 . . ?
C4_51 C5_51 H5A_51 110.2 . . ?
O1_51 C5_51 H5B_51 110.2 . . ?
C4_51 C5_51 H5B_51 110.2 . . ?
H5A_51 C5_51 H5B_51 108.5 . . ?
C2_52 O1_52 C5_52 105(2) . . ?
O1_52 C2_52 C3_52 108(2) . . ?
O1_52 C2_52 H2A_52 110.2 . . ?
C3_52 C2_52 H2A_52 110.2 . . ?
O1_52 C2_52 H2B_52 110.2 . . ?
C3_52 C2_52 H2B_52 110.2 . . ?
H2A_52 C2_52 H2B_52 108.5 . . ?
C2_52 C3_52 C4_52 108(2) . . ?
C2_52 C3_52 H3A_52 110.2 . . ?
C4_52 C3_52 H3A_52 110.2 . . ?
C2_52 C3_52 H3B_52 110.2 . . ?
C4_52 C3_52 H3B_52 110.2 . . ?
H3A_52 C3_52 H3B_52 108.5 . . ?
C5_52 C4_52 C3_52 104(2) . . ?
C5_52 C4_52 H4A_52 110.9 . . ?
C3_52 C4_52 H4A_52 110.9 . . ?
C5_52 C4_52 H4B_52 110.9 . . ?
C3_52 C4_52 H4B_52 110.9 . . ?
H4A_52 C4_52 H4B_52 108.9 . . ?
C4_52 C5_52 O1_52 108(2) . . ?
C4_52 C5_52 H5A_52 110.2 . . ?
O1_52 C5_52 H5A_52 110.2 . . ?
C4_52 C5_52 H5B_52 110.2 . . ?
O1_52 C5_52 H5B_52 110.2 . . ?
H5A_52 C5_52 H5B_52 108.5 . . ?
C5_53 O1_53 C2_53 108(2) . . ?
O1_53 C2_53 C3_53 110(2) . . ?
O1_53 C2_53 H2A_53 109.7 . . ?
C3_53 C2_53 H2A_53 109.7 . . ?
O1_53 C2_53 H2B_53 109.7 . . ?
C3_53 C2_53 H2B_53 109.7 . . ?
H2A_53 C2_53 H2B_53 108.2 . . ?
C2_53 C3_53 C4_53 102(3) . . ?
C2_53 C3_53 H3A_53 111.4 . . ?
C4_53 C3_53 H3A_53 111.4 . . ?
C2_53 C3_53 H3B_53 111.4 . . ?
C4_53 C3_53 H3B_53 111.4 . . ?
H3A_53 C3_53 H3B_53 109.2 . . ?
C5_53 C4_53 C3_53 112(2) . . ?
C5_53 C4_53 H4A_53 109.2 . . ?
C3_53 C4_53 H4A_53 109.2 . . ?
C5_53 C4_53 H4B_53 109.2 . . ?
C3_53 C4_53 H4B_53 109.2 . . ?
H4A_53 C4_53 H4B_53 107.9 . . ?
O1_53 C5_53 C4_53 105(2) . . ?
O1_53 C5_53 H5A_53 110.8 . . ?
C4_53 C5_53 H5A_53 110.8 . . ?
O1_53 C5_53 H5B_53 110.8 . . ?
C4_53 C5_53 H5B_53 110.8 . . ?
H5A_53 C5_53 H5B_53 108.9 . . ?
C2_54 O1_54 C5_54 106(2) . . ?
O1_54 C2_54 C3_54 105(2) . . ?
O1_54 C2_54 H2A_54 110.7 . . ?
C3_54 C2_54 H2A_54 110.7 . . ?
O1_54 C2_54 H2B_54 110.7 . . ?
C3_54 C2_54 H2B_54 110.7 . . ?
H2A_54 C2_54 H2B_54 108.8 . . ?
C4_54 C3_54 C2_54 106(3) . . ?
C4_54 C3_54 H3A_54 110.6 . . ?
C2_54 C3_54 H3A_54 110.6 . . ?
C4_54 C3_54 H3B_54 110.6 . . ?
C2_54 C3_54 H3B_54 110.6 . . ?
H3A_54 C3_54 H3B_54 108.8 . . ?
C3_54 C4_54 C5_54 100(2) . . ?
C3_54 C4_54 H4A_54 111.8 . . ?
C5_54 C4_54 H4A_54 111.8 . . ?
C3_54 C4_54 H4B_54 111.8 . . ?
C5_54 C4_54 H4B_54 111.8 . . ?
H4A_54 C4_54 H4B_54 109.5 . . ?
O1_54 C5_54 C4_54 110(2) . . ?
O1_54 C5_54 H5A_54 109.7 . . ?
C4_54 C5_54 H5A_54 109.7 . . ?
O1_54 C5_54 H5B_54 109.7 . . ?
C4_54 C5_54 H5B_54 109.7 . . ?
H5A_54 C5_54 H5B_54 108.2 . . ?
C5_55 O1_55 C2_55 103(3) . . ?
O1_55 C2_55 C3_55 106(2) . . ?
O1_55 C2_55 H2A_55 110.5 . . ?
C3_55 C2_55 H2A_55 110.5 . . ?
O1_55 C2_55 H2B_55 110.5 . . ?
C3_55 C2_55 H2B_55 110.5 . . ?
H2A_55 C2_55 H2B_55 108.7 . . ?
C2_55 C3_55 C4_55 92(4) . . ?
C2_55 C3_55 H3A_55 113.4 . . ?
C4_55 C3_55 H3A_55 113.4 . . ?
C2_55 C3_55 H3B_55 113.4 . . ?
C4_55 C3_55 H3B_55 113.4 . . ?
H3A_55 C3_55 H3B_55 110.7 . . ?
C5_55 C4_55 C3_55 100(4) . . ?
C5_55 C4_55 H4A_55 111.7 . . ?
C3_55 C4_55 H4A_55 111.7 . . ?
C5_55 C4_55 H4B_55 111.7 . . ?
C3_55 C4_55 H4B_55 111.7 . . ?
H4A_55 C4_55 H4B_55 109.5 . . ?
O1_55 C5_55 C4_55 104(2) . . ?
O1_55 C5_55 H5A_55 111.0 . . ?
C4_55 C5_55 H5A_55 111.0 . . ?
O1_55 C5_55 H5B_55 111.0 . . ?
C4_55 C5_55 H5B_55 111.0 . . ?
H5A_55 C5_55 H5B_55 109.0 . . ?
C5_56 O1_56 C2_56 110(2) . . ?
C3_56 C2_56 O1_56 110(2) . . ?
C3_56 C2_56 H2A_56 109.7 . . ?
O1_56 C2_56 H2A_56 109.7 . . ?
C3_56 C2_56 H2B_56 109.7 . . ?
O1_56 C2_56 H2B_56 109.7 . . ?
H2A_56 C2_56 H2B_56 108.2 . . ?
C2_56 C3_56 C4_56 104(2) . . ?
C2_56 C3_56 H3A_56 111.0 . . ?
C4_56 C3_56 H3A_56 111.0 . . ?
C2_56 C3_56 H3B_56 111.0 . . ?
C4_56 C3_56 H3B_56 111.0 . . ?
H3A_56 C3_56 H3B_56 109.0 . . ?
C5_56 C4_56 C3_56 111(2) . . ?
C5_56 C4_56 H4A_56 109.3 . . ?
C3_56 C4_56 H4A_56 109.3 . . ?
C5_56 C4_56 H4B_56 109.3 . . ?
C3_56 C4_56 H4B_56 109.3 . . ?
H4A_56 C4_56 H4B_56 108.0 . . ?
O1_56 C5_56 C4_56 103(2) . . ?
O1_56 C5_56 H5A_56 111.2 . . ?
C4_56 C5_56 H5A_56 111.2 . . ?
O1_56 C5_56 H5B_56 111.2 . . ?
C4_56 C5_56 H5B_56 111.2 . . ?
H5A_56 C5_56 H5B_56 109.1 . . ?
C5_57 O1_57 C2_57 111(2) . . ?
O1_57 C2_57 C3_57 108(2) . . ?
O1_57 C2_57 H2A_57 110.2 . . ?
C3_57 C2_57 H2A_57 110.2 . . ?
O1_57 C2_57 H2B_57 110.2 . . ?
C3_57 C2_57 H2B_57 110.2 . . ?
H2A_57 C2_57 H2B_57 108.5 . . ?
C2_57 C3_57 C4_57 103(2) . . ?
C2_57 C3_57 H3A_57 111.2 . . ?
C4_57 C3_57 H3A_57 111.2 . . ?
C2_57 C3_57 H3B_57 111.2 . . ?
C4_57 C3_57 H3B_57 111.2 . . ?
H3A_57 C3_57 H3B_57 109.1 . . ?
C5_57 C4_57 C3_57 112(2) . . ?
C5_57 C4_57 H4A_57 109.2 . . ?
C3_57 C4_57 H4A_57 109.2 . . ?
C5_57 C4_57 H4B_57 109.2 . . ?
C3_57 C4_57 H4B_57 109.2 . . ?
H4A_57 C4_57 H4B_57 107.9 . . ?
O1_57 C5_57 C4_57 101(2) . . ?
O1_57 C5_57 H5A_57 111.6 . . ?
C4_57 C5_57 H5A_57 111.6 . . ?
O1_57 C5_57 H5B_57 111.6 . . ?
C4_57 C5_57 H5B_57 111.6 . . ?
H5A_57 C5_57 H5B_57 109.4 . . ?
C2_58 O1_58 C5_58 102(3) . . ?
O1_58 C2_58 C3_58 106(2) . . ?
O1_58 C2_58 H2A_58 110.5 . . ?
C3_58 C2_58 H2A_58 110.5 . . ?
O1_58 C2_58 H2B_58 110.5 . . ?
C3_58 C2_58 H2B_58 110.5 . . ?
H2A_58 C2_58 H2B_58 108.7 . . ?
C4_58 C3_58 C2_58 111(3) . . ?
C4_58 C3_58 H3A_58 109.4 . . ?
C2_58 C3_58 H3A_58 109.4 . . ?
C4_58 C3_58 H3B_58 109.4 . . ?
C2_58 C3_58 H3B_58 109.4 . . ?
H3A_58 C3_58 H3B_58 108.0 . . ?
C5_58 C4_58 C3_58 100(3) . . ?
C5_58 C4_58 H4A_58 111.7 . . ?
C3_58 C4_58 H4A_58 111.7 . . ?
C5_58 C4_58 H4B_58 111.7 . . ?
C3_58 C4_58 H4B_58 111.7 . . ?
H4A_58 C4_58 H4B_58 109.5 . . ?
C4_58 C5_58 O1_58 111(3) . . ?
C4_58 C5_58 H5A_58 109.5 . . ?
O1_58 C5_58 H5A_58 109.5 . . ?
C4_58 C5_58 H5B_58 109.5 . . ?
O1_58 C5_58 H5B_58 109.5 . . ?
H5A_58 C5_58 H5B_58 108.1 . . ?
C2_59 O1_59 C5_59 89(2) . . ?
O1_59 C2_59 C3_59 122(3) . . ?
O1_59 C2_59 C5_59 47.6(15) . . ?
C3_59 C2_59 C5_59 89(2) . . ?
O1_59 C2_59 C4_59 87(2) . . ?
C3_59 C2_59 C4_59 46.1(15) . . ?
C5_59 C2_59 C4_59 43.6(11) . . ?
O1_59 C2_59 H2A_59 106.9 . . ?
C3_59 C2_59 H2A_59 106.9 . . ?
C5_59 C2_59 H2A_59 154.3 . . ?
C4_59 C2_59 H2A_59 151.6 . . ?
O1_59 C2_59 H2B_59 106.9 . . ?
C3_59 C2_59 H2B_59 106.9 . . ?
C5_59 C2_59 H2B_59 87.3 . . ?
C4_59 C2_59 H2B_59 92.3 . . ?
H2A_59 C2_59 H2B_59 106.7 . . ?
C2_59 C3_59 C4_59 89(3) . . ?
C2_59 C3_59 H3A_59 113.8 . . ?
C4_59 C3_59 H3A_59 113.8 . . ?
C2_59 C3_59 H3B_59 113.8 . . ?
C4_59 C3_59 H3B_59 113.8 . . ?
H3A_59 C3_59 H3B_59 111.0 . . ?
C3_59 C4_59 C5_59 111(2) . . ?
C3_59 C4_59 C2_59 44.9(14) . . ?
C5_59 C4_59 C2_59 67.6(18) . . ?
C3_59 C4_59 H4A_59 109.4 . . ?
C5_59 C4_59 H4A_59 109.4 . . ?
C2_59 C4_59 H4A_59 135.5 . . ?
C3_59 C4_59 H4B_59 109.4 . . ?
C5_59 C4_59 H4B_59 109.4 . . ?
C2_59 C4_59 H4B_59 114.8 . . ?
H4A_59 C4_59 H4B_59 108.0 . . ?
O1_59 C5_59 C4_59 106(2) . . ?
O1_59 C5_59 C2_59 43.5(13) . . ?
C4_59 C5_59 C2_59 68.8(19) . . ?
O1_59 C5_59 H5A_59 110.5 . . ?
C4_59 C5_59 H5A_59 110.5 . . ?
C2_59 C5_59 H5A_59 103.8 . . ?
O1_59 C5_59 H5B_59 110.5 . . ?
C4_59 C5_59 H5B_59 110.5 . . ?
C2_59 C5_59 H5B_59 144.9 . . ?
H5A_59 C5_59 H5B_59 108.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6_1 N1_1 C2_1 C3_1 -3(3) . . . . ?
Fe3 N1_1 C2_1 C3_1 179.5(14) . . . . ?
N1_1 C2_1 C3_1 C4_1 2(3) . . . . ?
C2_1 C3_1 C4_1 C5_1 -1(3) . . . . ?
C3_1 C4_1 C5_1 C6_1 1(3) . . . . ?
C2_1 N1_1 C6_1 C5_1 4(3) . . . . ?
Fe3 N1_1 C6_1 C5_1 -178.3(16) . . . . ?
C2_1 N1_1 C6_1 C7_1 -179.8(16) . . . . ?
Fe3 N1_1 C6_1 C7_1 -2(2) . . . . ?
C4_1 C5_1 C6_1 N1_1 -3(3) . . . . ?
C4_1 C5_1 C6_1 C7_1 -179.0(18) . . . . ?
N1_1 C6_1 C7_1 N8_1 6(2) . . . . ?
C5_1 C6_1 C7_1 N8_1 -177.7(18) . . . . ?
C6_1 C7_1 N8_1 N9_1 -178.6(14) . . . . ?
C6_1 C7_1 N8_1 Fe3 -7(2) . . . . ?
C7_1 N8_1 N9_1 C10_1 -99.3(18) . . . . ?
Fe3 N8_1 N9_1 C10_1 90.9(16) . . . . ?
C7_1 N8_1 N9_1 C15_1 75.6(18) . . . . ?
Fe3 N8_1 N9_1 C15_1 -94.2(15) . . . . ?
N8_1 N9_1 C10_1 O11_1 5(2) . . . . ?
C15_1 N9_1 C10_1 O11_1 -169.5(16) . . . . ?
N8_1 N9_1 C10_1 C12_1 -171.6(13) . . . . ?
C15_1 N9_1 C10_1 C12_1 14(2) . . . . ?
O11_1 C10_1 C12_1 C17_1 -5(3) . . . . ?
N9_1 C10_1 C12_1 C17_1 171.7(16) . . . . ?
O11_1 C10_1 C12_1 C13_1 173.6(17) . . . . ?
N9_1 C10_1 C12_1 C13_1 -10(2) . . . . ?
C17_1 C12_1 C13_1 C33_1 -2(2) . . . . ?
C10_1 C12_1 C13_1 C33_1 179.8(15) . . . . ?
C17_1 C12_1 C13_1 C14_1 -176.8(16) . . . . ?
C10_1 C12_1 C13_1 C14_1 5(2) . . . . ?
C33_1 C13_1 C14_1 C18_1 4(3) . . . . ?
C12_1 C13_1 C14_1 C18_1 178.9(15) . . . . ?
C33_1 C13_1 C14_1 C15_1 -177.1(15) . . . . ?
C12_1 C13_1 C14_1 C15_1 -2(3) . . . . ?
N8_1 N9_1 C15_1 O16_1 -1(2) . . . . ?
C10_1 N9_1 C15_1 O16_1 173.2(17) . . . . ?
N8_1 N9_1 C15_1 C14_1 174.1(13) . . . . ?
C10_1 N9_1 C15_1 C14_1 -11(2) . . . . ?
C18_1 C14_1 C15_1 O16_1 -1(3) . . . . ?
C13_1 C14_1 C15_1 O16_1 180.0(18) . . . . ?
C18_1 C14_1 C15_1 N9_1 -176.2(15) . . . . ?
C13_1 C14_1 C15_1 N9_1 5(2) . . . . ?
C13_1 C12_1 C17_1 C38_1 3(3) . . . . ?
C10_1 C12_1 C17_1 C38_1 -179.0(15) . . . . ?
C13_1 C14_1 C18_1 C37_1 -3(3) . . . . ?
C15_1 C14_1 C18_1 C37_1 178.5(15) . . . . ?
C26_1 N21_1 C22_1 C23_1 0(3) . . . . ?
Fe1 N21_1 C22_1 C23_1 -176.4(14) . . . . ?
N21_1 C22_1 C23_1 C24_1 0(3) . . . . ?
C22_1 C23_1 C24_1 C25_1 1(3) . . . . ?
C23_1 C24_1 C25_1 C26_1 -1(3) . . . . ?
C22_1 N21_1 C26_1 C25_1 -1(3) . . . . ?
Fe1 N21_1 C26_1 C25_1 176.0(16) . . . . ?
C22_1 N21_1 C26_1 C27_1 -177.6(16) . . . . ?
Fe1 N21_1 C26_1 C27_1 -1(2) . . . . ?
C24_1 C25_1 C26_1 N21_1 1(3) . . . . ?
C24_1 C25_1 C26_1 C27_1 178.3(17) . . . . ?
N21_1 C26_1 C27_1 N28_1 3(2) . . . . ?
C25_1 C26_1 C27_1 N28_1 -173.9(17) . . . . ?
C26_1 C27_1 N28_1 N29_1 -175.3(13) . . . . ?
C26_1 C27_1 N28_1 Fe1 -4(2) . . . . ?
C27_1 N28_1 N29_1 C35_1 -108.3(16) . . . . ?
Fe1 N28_1 N29_1 C35_1 82.2(16) . . . . ?
C27_1 N28_1 N29_1 C30_1 73.7(17) . . . . ?
Fe1 N28_1 N29_1 C30_1 -95.8(14) . . . . ?
C35_1 N29_1 C30_1 O31_1 178.7(16) . . . . ?
N28_1 N29_1 C30_1 O31_1 -4(2) . . . . ?
C35_1 N29_1 C30_1 C32_1 3(2) . . . . ?
N28_1 N29_1 C30_1 C32_1 -179.0(13) . . . . ?
O31_1 C30_1 C32_1 C37_1 0(3) . . . . ?
N29_1 C30_1 C32_1 C37_1 174.6(15) . . . . ?
O31_1 C30_1 C32_1 C33_1 179.7(19) . . . . ?
N29_1 C30_1 C32_1 C33_1 -6(2) . . . . ?
C37_1 C32_1 C33_1 C13_1 2(3) . . . . ?
C30_1 C32_1 C33_1 C13_1 -177.8(16) . . . . ?
C37_1 C32_1 C33_1 C34_1 -176.1(16) . . . . ?
C30_1 C32_1 C33_1 C34_1 4(3) . . . . ?
C12_1 C13_1 C33_1 C32_1 -178.6(15) . . . . ?
C14_1 C13_1 C33_1 C32_1 -4(2) . . . . ?
C12_1 C13_1 C33_1 C34_1 0(2) . . . . ?
C14_1 C13_1 C33_1 C34_1 174.5(16) . . . . ?
C32_1 C33_1 C34_1 C38_1 -179.7(16) . . . . ?
C13_1 C33_1 C34_1 C38_1 2(2) . . . . ?
C32_1 C33_1 C34_1 C35_1 0(2) . . . . ?
C13_1 C33_1 C34_1 C35_1 -177.8(14) . . . . ?
N28_1 N29_1 C35_1 O36_1 0(2) . . . . ?
C30_1 N29_1 C35_1 O36_1 177.7(16) . . . . ?
N28_1 N29_1 C35_1 C34_1 -177.1(12) . . . . ?
C30_1 N29_1 C35_1 C34_1 1(2) . . . . ?
C38_1 C34_1 C35_1 O36_1 0(3) . . . . ?
C33_1 C34_1 C35_1 O36_1 -179.5(16) . . . . ?
C38_1 C34_1 C35_1 N29_1 177.4(15) . . . . ?
C33_1 C34_1 C35_1 N29_1 -3(2) . . . . ?
C33_1 C32_1 C37_1 C18_1 -1(3) . . . . ?
C30_1 C32_1 C37_1 C18_1 179.3(15) . . . . ?
C14_1 C18_1 C37_1 C32_1 1(3) . . . . ?
C33_1 C34_1 C38_1 C17_1 -2(2) . . . . ?
C35_1 C34_1 C38_1 C17_1 178.5(15) . . . . ?
C12_1 C17_1 C38_1 C34_1 -1(3) . . . . ?
C6_2 N1_2 C2_2 C3_2 -4(3) . . . . ?
Fe1 N1_2 C2_2 C3_2 178.4(14) . . . . ?
N1_2 C2_2 C3_2 C4_2 9(3) . . . . ?
C2_2 C3_2 C4_2 C5_2 -11(3) . . . . ?
C3_2 C4_2 C5_2 C6_2 9(3) . . . . ?
C2_2 N1_2 C6_2 C5_2 2(3) . . . . ?
Fe1 N1_2 C6_2 C5_2 179.7(15) . . . . ?
C2_2 N1_2 C6_2 C7_2 -179.1(16) . . . . ?
Fe1 N1_2 C6_2 C7_2 -1(2) . . . . ?
C4_2 C5_2 C6_2 N1_2 -4(3) . . . . ?
C4_2 C5_2 C6_2 C7_2 176.5(18) . . . . ?
N1_2 C6_2 C7_2 N8_2 0(3) . . . . ?
C5_2 C6_2 C7_2 N8_2 179.0(18) . . . . ?
C6_2 C7_2 N8_2 N9_2 -176.1(15) . . . . ?
C6_2 C7_2 N8_2 Fe1 1(2) . . . . ?
C7_2 N8_2 N9_2 C15_2 103.3(19) . . . . ?
Fe1 N8_2 N9_2 C15_2 -74(2) . . . . ?
C7_2 N8_2 N9_2 C10_2 -74(2) . . . . ?
Fe1 N8_2 N9_2 C10_2 108.7(16) . . . . ?
C15_2 N9_2 C10_2 O11_2 179.1(18) . . . . ?
N8_2 N9_2 C10_2 O11_2 -3(3) . . . . ?
C15_2 N9_2 C10_2 C12_2 2(3) . . . . ?
N8_2 N9_2 C10_2 C12_2 179.3(14) . . . . ?
O11_2 C10_2 C12_2 C13_2 -176.8(19) . . . . ?
N9_2 C10_2 C12_2 C13_2 0(3) . . . . ?
O11_2 C10_2 C12_2 C17_2 8(3) . . . . ?
N9_2 C10_2 C12_2 C17_2 -174.4(16) . . . . ?
C17_2 C12_2 C13_2 C33_2 -4(3) . . . . ?
C10_2 C12_2 C13_2 C33_2 -178.4(18) . . . . ?
C17_2 C12_2 C13_2 C14_2 175.5(16) . . . . ?
C10_2 C12_2 C13_2 C14_2 1(3) . . . . ?
C33_2 C13_2 C14_2 C18_2 1(3) . . . . ?
C12_2 C13_2 C14_2 C18_2 -178.5(16) . . . . ?
C33_2 C13_2 C14_2 C15_2 175.0(18) . . . . ?
C12_2 C13_2 C14_2 C15_2 -4(3) . . . . ?
C10_2 N9_2 C15_2 O16_2 174.3(17) . . . . ?
N8_2 N9_2 C15_2 O16_2 -3(3) . . . . ?
C10_2 N9_2 C15_2 C14_2 -5(3) . . . . ?
N8_2 N9_2 C15_2 C14_2 177.7(15) . . . . ?
C18_2 C14_2 C15_2 O16_2 1(3) . . . . ?
C13_2 C14_2 C15_2 O16_2 -173.1(19) . . . . ?
C18_2 C14_2 C15_2 N9_2 -179.7(16) . . . . ?
C13_2 C14_2 C15_2 N9_2 6(3) . . . . ?
C13_2 C12_2 C17_2 C38_2 2(3) . . . . ?
C10_2 C12_2 C17_2 C38_2 177.3(16) . . . . ?
C15_2 C14_2 C18_2 C37_2 -173.6(17) . . . . ?
C13_2 C14_2 C18_2 C37_2 1(3) . . . . ?
C26_2 N21_2 C22_2 C23_2 0(3) . . . . ?
Fe2 N21_2 C22_2 C23_2 -173.5(15) . . . . ?
N21_2 C22_2 C23_2 C24_2 1(3) . . . . ?
C22_2 C23_2 C24_2 C25_2 -4(3) . . . . ?
C23_2 C24_2 C25_2 C26_2 6(3) . . . . ?
C24_2 C25_2 C26_2 N21_2 -6(3) . . . . ?
C24_2 C25_2 C26_2 C27_2 -177.7(18) . . . . ?
C22_2 N21_2 C26_2 C25_2 3(3) . . . . ?
Fe2 N21_2 C26_2 C25_2 177.4(15) . . . . ?
C22_2 N21_2 C26_2 C27_2 175.2(17) . . . . ?
Fe2 N21_2 C26_2 C27_2 -11(2) . . . . ?
C25_2 C26_2 C27_2 N28_2 179.7(17) . . . . ?
N21_2 C26_2 C27_2 N28_2 8(3) . . . . ?
C26_2 C27_2 N28_2 N29_2 -173.6(15) . . . . ?
C26_2 C27_2 N28_2 Fe2 -1(2) . . . . ?
C27_2 N28_2 N29_2 C35_2 61(2) . . . . ?
Fe2 N28_2 N29_2 C35_2 -110.3(18) . . . . ?
C27_2 N28_2 N29_2 C30_2 -114.1(17) . . . . ?
Fe2 N28_2 N29_2 C30_2 75.0(19) . . . . ?
C35_2 N29_2 C30_2 O31_2 -171.1(18) . . . . ?
N28_2 N29_2 C30_2 O31_2 3(2) . . . . ?
C35_2 N29_2 C30_2 C32_2 6(3) . . . . ?
N28_2 N29_2 C30_2 C32_2 -179.5(14) . . . . ?
O31_2 C30_2 C32_2 C33_2 -179.6(19) . . . . ?
N29_2 C30_2 C32_2 C33_2 4(3) . . . . ?
O31_2 C30_2 C32_2 C37_2 0(3) . . . . ?
N29_2 C30_2 C32_2 C37_2 -176.9(15) . . . . ?
C12_2 C13_2 C33_2 C32_2 178.8(17) . . . . ?
C14_2 C13_2 C33_2 C32_2 0(3) . . . . ?
C12_2 C13_2 C33_2 C34_2 3(3) . . . . ?
C14_2 C13_2 C33_2 C34_2 -176.7(16) . . . . ?
C37_2 C32_2 C33_2 C13_2 -1(3) . . . . ?
C30_2 C32_2 C33_2 C13_2 177.8(18) . . . . ?
C37_2 C32_2 C33_2 C34_2 174.7(16) . . . . ?
C30_2 C32_2 C33_2 C34_2 -6(3) . . . . ?
C13_2 C33_2 C34_2 C38_2 0(3) . . . . ?
C32_2 C33_2 C34_2 C38_2 -176.3(17) . . . . ?
C13_2 C33_2 C34_2 C35_2 175.5(17) . . . . ?
C32_2 C33_2 C34_2 C35_2 -1(3) . . . . ?
N28_2 N29_2 C35_2 O36_2 -4(3) . . . . ?
C30_2 N29_2 C35_2 O36_2 170.0(16) . . . . ?
N28_2 N29_2 C35_2 C34_2 173.0(16) . . . . ?
C30_2 N29_2 C35_2 C34_2 -13(3) . . . . ?
C38_2 C34_2 C35_2 O36_2 3(3) . . . . ?
C33_2 C34_2 C35_2 O36_2 -172.9(17) . . . . ?
C38_2 C34_2 C35_2 N29_2 -174.6(17) . . . . ?
C33_2 C34_2 C35_2 N29_2 10(3) . . . . ?
C33_2 C32_2 C37_2 C18_2 3(3) . . . . ?
C30_2 C32_2 C37_2 C18_2 -176.4(16) . . . . ?
C14_2 C18_2 C37_2 C32_2 -3(3) . . . . ?
C33_2 C34_2 C38_2 C17_2 -2(3) . . . . ?
C35_2 C34_2 C38_2 C17_2 -176.8(17) . . . . ?
C12_2 C17_2 C38_2 C34_2 0(3) . . . . ?
C6_3 N1_3 C2_3 C3_3 -4(3) . . . . ?
Fe1 N1_3 C2_3 C3_3 174.7(14) . . . . ?
N1_3 C2_3 C3_3 C4_3 2(3) . . . . ?
C2_3 C3_3 C4_3 C5_3 2(3) . . . . ?
C3_3 C4_3 C5_3 C6_3 -3(3) . . . . ?
C2_3 N1_3 C6_3 C5_3 2(3) . . . . ?
Fe1 N1_3 C6_3 C5_3 -176.3(15) . . . . ?
C2_3 N1_3 C6_3 C7_3 -175.6(16) . . . . ?
Fe1 N1_3 C6_3 C7_3 6(2) . . . . ?
C4_3 C5_3 C6_3 N1_3 1(3) . . . . ?
C4_3 C5_3 C6_3 C7_3 179.0(18) . . . . ?
N1_3 C6_3 C7_3 N8_3 2(2) . . . . ?
C5_3 C6_3 C7_3 N8_3 -176.2(17) . . . . ?
C6_3 C7_3 N8_3 N9_3 171.0(15) . . . . ?
C6_3 C7_3 N8_3 Fe1 -9(2) . . . . ?
C7_3 N8_3 N9_3 C15_3 109.0(18) . . . . ?
Fe1 N8_3 N9_3 C15_3 -71(2) . . . . ?
C7_3 N8_3 N9_3 C10_3 -65.8(18) . . . . ?
Fe1 N8_3 N9_3 C10_3 114.1(16) . . . . ?
C15_3 N9_3 C10_3 O11_3 -171.0(18) . . . . ?
N8_3 N9_3 C10_3 O11_3 3(2) . . . . ?
C15_3 N9_3 C10_3 C12_3 9(2) . . . . ?
N8_3 N9_3 C10_3 C12_3 -176.3(14) . . . . ?
O11_3 C10_3 C12_3 C17_3 -4(3) . . . . ?
N9_3 C10_3 C12_3 C17_3 175.9(15) . . . . ?
O11_3 C10_3 C12_3 C13_3 176.1(18) . . . . ?
N9_3 C10_3 C12_3 C13_3 -4(2) . . . . ?
C17_3 C12_3 C13_3 C33_3 2(3) . . . . ?
C10_3 C12_3 C13_3 C33_3 -177.8(16) . . . . ?
C17_3 C12_3 C13_3 C14_3 178.6(17) . . . . ?
C10_3 C12_3 C13_3 C14_3 -1(3) . . . . ?
C33_3 C13_3 C14_3 C15_3 179.2(18) . . . . ?
C12_3 C13_3 C14_3 C15_3 3(3) . . . . ?
C33_3 C13_3 C14_3 C18_3 -4(3) . . . . ?
C12_3 C13_3 C14_3 C18_3 180.0(17) . . . . ?
C10_3 N9_3 C15_3 O16_3 163.7(17) . . . . ?
N8_3 N9_3 C15_3 O16_3 -10(3) . . . . ?
C10_3 N9_3 C15_3 C14_3 -8(3) . . . . ?
N8_3 N9_3 C15_3 C14_3 177.9(15) . . . . ?
C13_3 C14_3 C15_3 O16_3 -169.8(19) . . . . ?
C18_3 C14_3 C15_3 O16_3 13(3) . . . . ?
C13_3 C14_3 C15_3 N9_3 1(3) . . . . ?
C18_3 C14_3 C15_3 N9_3 -175.6(17) . . . . ?
C13_3 C12_3 C17_3 C38_3 2(3) . . . . ?
C10_3 C12_3 C17_3 C38_3 -178.3(15) . . . . ?
C13_3 C14_3 C18_3 C37_3 2(3) . . . . ?
C15_3 C14_3 C18_3 C37_3 179.2(19) . . . . ?
C26_3 N21_3 C22_3 C23_3 3(3) . . . . ?
Fe4 N21_3 C22_3 C23_3 -177.1(14) . . . . ?
N21_3 C22_3 C23_3 C24_3 -2(3) . . . . ?
C22_3 C23_3 C24_3 C25_3 0(3) . . . . ?
C23_3 C24_3 C25_3 C26_3 0(3) . . . . ?
C24_3 C25_3 C26_3 C27_3 177(2) . . . . ?
C24_3 C25_3 C26_3 N21_3 2(3) . . . . ?
C22_3 N21_3 C26_3 C25_3 -3(3) . . . . ?
Fe4 N21_3 C26_3 C25_3 177.2(17) . . . . ?
C22_3 N21_3 C26_3 C27_3 -178.9(17) . . . . ?
Fe4 N21_3 C26_3 C27_3 2(2) . . . . ?
C25_3 C26_3 C27_3 N28_3 178(2) . . . . ?
N21_3 C26_3 C27_3 N28_3 -7(3) . . . . ?
C26_3 C27_3 N28_3 N29_3 -172.0(17) . . . . ?
C26_3 C27_3 N28_3 Fe4 8(3) . . . . ?
C27_3 N28_3 N29_3 C35_3 76(2) . . . . ?
Fe4 N28_3 N29_3 C35_3 -105.1(19) . . . . ?
C27_3 N28_3 N29_3 C30_3 -107(2) . . . . ?
Fe4 N28_3 N29_3 C30_3 73(2) . . . . ?
C35_3 N29_3 C30_3 O31_3 174(2) . . . . ?
N28_3 N29_3 C30_3 O31_3 -3(3) . . . . ?
C35_3 N29_3 C30_3 C32_3 1(3) . . . . ?
N28_3 N29_3 C30_3 C32_3 -176.6(17) . . . . ?
O31_3 C30_3 C32_3 C37_3 -1(3) . . . . ?
N29_3 C30_3 C32_3 C37_3 173(2) . . . . ?
O31_3 C30_3 C32_3 C33_3 177.0(19) . . . . ?
N29_3 C30_3 C32_3 C33_3 -10(3) . . . . ?
C12_3 C13_3 C33_3 C34_3 -5(3) . . . . ?
C14_3 C13_3 C33_3 C34_3 178.1(18) . . . . ?
C12_3 C13_3 C33_3 C32_3 177.0(17) . . . . ?
C14_3 C13_3 C33_3 C32_3 1(3) . . . . ?
C37_3 C32_3 C33_3 C13_3 4(3) . . . . ?
C30_3 C32_3 C33_3 C13_3 -173.2(18) . . . . ?
C37_3 C32_3 C33_3 C34_3 -173.2(19) . . . . ?
C30_3 C32_3 C33_3 C34_3 9(3) . . . . ?
C13_3 C33_3 C34_3 C38_3 5(3) . . . . ?
C32_3 C33_3 C34_3 C38_3 -177.7(19) . . . . ?
C13_3 C33_3 C34_3 C35_3 -178.2(18) . . . . ?
C32_3 C33_3 C34_3 C35_3 -1(3) . . . . ?
C30_3 N29_3 C35_3 O36_3 -174.4(19) . . . . ?
N28_3 N29_3 C35_3 O36_3 3(3) . . . . ?
C30_3 N29_3 C35_3 C34_3 7(3) . . . . ?
N28_3 N29_3 C35_3 C34_3 -175.0(14) . . . . ?
C38_3 C34_3 C35_3 O36_3 -9(3) . . . . ?
C33_3 C34_3 C35_3 O36_3 174.4(19) . . . . ?
C38_3 C34_3 C35_3 N29_3 169.6(17) . . . . ?
C33_3 C34_3 C35_3 N29_3 -8(3) . . . . ?
C14_3 C18_3 C37_3 C32_3 3(3) . . . . ?
C33_3 C32_3 C37_3 C18_3 -6(3) . . . . ?
C30_3 C32_3 C37_3 C18_3 171(2) . . . . ?
C33_3 C34_3 C38_3 C17_3 -1(3) . . . . ?
C35_3 C34_3 C38_3 C17_3 -177.8(16) . . . . ?
C12_3 C17_3 C38_3 C34_3 -3(3) . . . . ?
C6_4 N1_4 C2_4 C3_4 -9(3) . . . . ?
Fe3 N1_4 C2_4 C3_4 176.1(13) . . . . ?
N1_4 C2_4 C3_4 C4_4 5(3) . . . . ?
C2_4 C3_4 C4_4 C5_4 -2(3) . . . . ?
C3_4 C4_4 C5_4 C6_4 3(3) . . . . ?
C4_4 C5_4 C6_4 N1_4 -7(3) . . . . ?
C4_4 C5_4 C6_4 C7_4 -179.2(17) . . . . ?
C2_4 N1_4 C6_4 C5_4 10(3) . . . . ?
Fe3 N1_4 C6_4 C5_4 -174.3(16) . . . . ?
C2_4 N1_4 C6_4 C7_4 -176.7(15) . . . . ?
Fe3 N1_4 C6_4 C7_4 -1(2) . . . . ?
C5_4 C6_4 C7_4 N8_4 177.8(17) . . . . ?
N1_4 C6_4 C7_4 N8_4 4(2) . . . . ?
C6_4 C7_4 N8_4 N9_4 174.5(14) . . . . ?
C6_4 C7_4 N8_4 Fe3 -5(2) . . . . ?
C7_4 N8_4 N9_4 C10_4 105.1(18) . . . . ?
Fe3 N8_4 N9_4 C10_4 -75.0(18) . . . . ?
C7_4 N8_4 N9_4 C15_4 -65.3(18) . . . . ?
Fe3 N8_4 N9_4 C15_4 114.6(14) . . . . ?
N8_4 N9_4 C10_4 O11_4 1(2) . . . . ?
C15_4 N9_4 C10_4 O11_4 170.9(15) . . . . ?
N8_4 N9_4 C10_4 C12_4 -176.2(14) . . . . ?
C15_4 N9_4 C10_4 C12_4 -7(2) . . . . ?
O11_4 C10_4 C12_4 C17_4 -5(3) . . . . ?
N9_4 C10_4 C12_4 C17_4 172.2(17) . . . . ?
O11_4 C10_4 C12_4 C13_4 -178.5(15) . . . . ?
N9_4 C10_4 C12_4 C13_4 -1(2) . . . . ?
C17_4 C12_4 C13_4 C14_4 -172.9(18) . . . . ?
C10_4 C12_4 C13_4 C14_4 1(3) . . . . ?
C17_4 C12_4 C13_4 C33_4 6(3) . . . . ?
C10_4 C12_4 C13_4 C33_4 180.0(15) . . . . ?
C33_4 C13_4 C14_4 C18_4 3(3) . . . . ?
C12_4 C13_4 C14_4 C18_4 -177.8(16) . . . . ?
C33_4 C13_4 C14_4 C15_4 -172.3(16) . . . . ?
C12_4 C13_4 C14_4 C15_4 7(3) . . . . ?
C13_4 C14_4 C15_4 O16_4 177.3(19) . . . . ?
C18_4 C14_4 C15_4 O16_4 2(3) . . . . ?
C13_4 C14_4 C15_4 N9_4 -14(3) . . . . ?
C18_4 C14_4 C15_4 N9_4 171.0(14) . . . . ?
C10_4 N9_4 C15_4 O16_4 -175.8(17) . . . . ?
N8_4 N9_4 C15_4 O16_4 -6(2) . . . . ?
C10_4 N9_4 C15_4 C14_4 14(2) . . . . ?
N8_4 N9_4 C15_4 C14_4 -176.5(14) . . . . ?
C13_4 C12_4 C17_4 C38_4 -4(3) . . . . ?
C10_4 C12_4 C17_4 C38_4 -177.3(17) . . . . ?
C13_4 C14_4 C18_4 C37_4 -2(3) . . . . ?
C15_4 C14_4 C18_4 C37_4 173.0(15) . . . . ?
C26_4 N21_4 C22_4 C23_4 -6(3) . . . . ?
Fe2 N21_4 C22_4 C23_4 177.3(13) . . . . ?
N21_4 C22_4 C23_4 C24_4 5(3) . . . . ?
C22_4 C23_4 C24_4 C25_4 -2(3) . . . . ?
C23_4 C24_4 C25_4 C26_4 1(3) . . . . ?
C24_4 C25_4 C26_4 N21_4 -2(3) . . . . ?
C24_4 C25_4 C26_4 C27_4 -171.5(17) . . . . ?
C22_4 N21_4 C26_4 C25_4 4(3) . . . . ?
Fe2 N21_4 C26_4 C25_4 -178.4(15) . . . . ?
C22_4 N21_4 C26_4 C27_4 174.9(15) . . . . ?
Fe2 N21_4 C26_4 C27_4 -8(2) . . . . ?
C25_4 C26_4 C27_4 N28_4 177.7(18) . . . . ?
N21_4 C26_4 C27_4 N28_4 7(3) . . . . ?
C26_4 C27_4 N28_4 N29_4 179.7(14) . . . . ?
C26_4 C27_4 N28_4 Fe2 -2(2) . . . . ?
C27_4 N28_4 N29_4 C30_4 83(2) . . . . ?
Fe2 N28_4 N29_4 C30_4 -95.3(18) . . . . ?
C27_4 N28_4 N29_4 C35_4 -97.4(18) . . . . ?
Fe2 N28_4 N29_4 C35_4 84.6(18) . . . . ?
N28_4 N29_4 C30_4 O31_4 -6(2) . . . . ?
C35_4 N29_4 C30_4 O31_4 174.0(15) . . . . ?
N28_4 N29_4 C30_4 C32_4 179.9(15) . . . . ?
C35_4 N29_4 C30_4 C32_4 0(3) . . . . ?
O31_4 C30_4 C32_4 C37_4 1(3) . . . . ?
N29_4 C30_4 C32_4 C37_4 174.9(17) . . . . ?
O31_4 C30_4 C32_4 C33_4 -175.4(15) . . . . ?
N29_4 C30_4 C32_4 C33_4 -2(3) . . . . ?
C14_4 C13_4 C33_4 C34_4 173.8(17) . . . . ?
C12_4 C13_4 C33_4 C34_4 -6(3) . . . . ?
C14_4 C13_4 C33_4 C32_4 -3(3) . . . . ?
C12_4 C13_4 C33_4 C32_4 177.9(15) . . . . ?
C37_4 C32_4 C33_4 C34_4 -174.4(17) . . . . ?
C30_4 C32_4 C33_4 C34_4 2(3) . . . . ?
C37_4 C32_4 C33_4 C13_4 2(3) . . . . ?
C30_4 C32_4 C33_4 C13_4 179.1(16) . . . . ?
C13_4 C33_4 C34_4 C35_4 -178.1(17) . . . . ?
C32_4 C33_4 C34_4 C35_4 -1(3) . . . . ?
C13_4 C33_4 C34_4 C38_4 2(3) . . . . ?
C32_4 C33_4 C34_4 C38_4 178.7(15) . . . . ?
C33_4 C34_4 C35_4 O36_4 172.2(18) . . . . ?
C38_4 C34_4 C35_4 O36_4 -8(3) . . . . ?
C33_4 C34_4 C35_4 N29_4 0(3) . . . . ?
C38_4 C34_4 C35_4 N29_4 179.6(15) . . . . ?
C30_4 N29_4 C35_4 O36_4 -172.1(16) . . . . ?
N28_4 N29_4 C35_4 O36_4 8(2) . . . . ?
C30_4 N29_4 C35_4 C34_4 1(2) . . . . ?
N28_4 N29_4 C35_4 C34_4 -178.8(14) . . . . ?
C30_4 C32_4 C37_4 C18_4 -178.5(16) . . . . ?
C33_4 C32_4 C37_4 C18_4 -2(3) . . . . ?
C14_4 C18_4 C37_4 C32_4 2(3) . . . . ?
C12_4 C17_4 C38_4 C34_4 1(3) . . . . ?
C33_4 C34_4 C38_4 C17_4 0(3) . . . . ?
C35_4 C34_4 C38_4 C17_4 -179.5(16) . . . . ?
C6_5 N1_5 C2_5 C3_5 -5(3) . . . . ?
Fe3 N1_5 C2_5 C3_5 170.8(15) . . . . ?
N1_5 C2_5 C3_5 C4_5 3(3) . . . . ?
C2_5 C3_5 C4_5 C5_5 1(3) . . . . ?
C3_5 C4_5 C5_5 C6_5 -2(3) . . . . ?
C2_5 N1_5 C6_5 C5_5 4(3) . . . . ?
Fe3 N1_5 C6_5 C5_5 -173.2(15) . . . . ?
C2_5 N1_5 C6_5 C7_5 -178.7(16) . . . . ?
Fe3 N1_5 C6_5 C7_5 4(2) . . . . ?
C4_5 C5_5 C6_5 N1_5 0(3) . . . . ?
C4_5 C5_5 C6_5 C7_5 -177.4(18) . . . . ?
N1_5 C6_5 C7_5 N8_5 -3(3) . . . . ?
C5_5 C6_5 C7_5 N8_5 174.8(18) . . . . ?
C6_5 C7_5 N8_5 N9_5 177.8(15) . . . . ?
C6_5 C7_5 N8_5 Fe3 0(2) . . . . ?
C7_5 N8_5 N9_5 C15_5 -84(2) . . . . ?
Fe3 N8_5 N9_5 C15_5 94(2) . . . . ?
C7_5 N8_5 N9_5 C10_5 101.3(19) . . . . ?
Fe3 N8_5 N9_5 C10_5 -81.2(19) . . . . ?
C15_5 N9_5 C10_5 O11_5 178(2) . . . . ?
N8_5 N9_5 C10_5 O11_5 -8(3) . . . . ?
C15_5 N9_5 C10_5 C12_5 1(3) . . . . ?
N8_5 N9_5 C10_5 C12_5 175.7(15) . . . . ?
O11_5 C10_5 C12_5 C17_5 4(3) . . . . ?
N9_5 C10_5 C12_5 C17_5 -179.7(17) . . . . ?
O11_5 C10_5 C12_5 C13_5 -172(2) . . . . ?
N9_5 C10_5 C12_5 C13_5 5(3) . . . . ?
C17_5 C12_5 C13_5 C14_5 -179.7(17) . . . . ?
C10_5 C12_5 C13_5 C14_5 -4(3) . . . . ?
C17_5 C12_5 C13_5 C33_5 1(3) . . . . ?
C10_5 C12_5 C13_5 C33_5 176.7(16) . . . . ?
C12_5 C13_5 C14_5 C18_5 179.3(18) . . . . ?
C33_5 C13_5 C14_5 C18_5 -2(3) . . . . ?
C12_5 C13_5 C14_5 C15_5 -2(3) . . . . ?
C33_5 C13_5 C14_5 C15_5 177.1(16) . . . . ?
N8_5 N9_5 C15_5 O16_5 4(3) . . . . ?
C10_5 N9_5 C15_5 O16_5 177.8(18) . . . . ?
N8_5 N9_5 C15_5 C14_5 178.7(14) . . . . ?
C10_5 N9_5 C15_5 C14_5 -7(3) . . . . ?
C18_5 C14_5 C15_5 O16_5 1(3) . . . . ?
C13_5 C14_5 C15_5 O16_5 -177.7(18) . . . . ?
C18_5 C14_5 C15_5 N9_5 -174.0(16) . . . . ?
C13_5 C14_5 C15_5 N9_5 7(3) . . . . ?
C13_5 C12_5 C17_5 C38_5 0(3) . . . . ?
C10_5 C12_5 C17_5 C38_5 -175.1(17) . . . . ?
C13_5 C14_5 C18_5 C37_5 -3(3) . . . . ?
C15_5 C14_5 C18_5 C37_5 178.9(16) . . . . ?
C26_5 N21_5 C22_5 C23_5 -8(3) . . . . ?
Fe4 N21_5 C22_5 C23_5 174.8(15) . . . . ?
N21_5 C22_5 C23_5 C24_5 7(3) . . . . ?
C22_5 C23_5 C24_5 C25_5 -5(3) . . . . ?
C23_5 C24_5 C25_5 C26_5 4(3) . . . . ?
C22_5 N21_5 C26_5 C25_5 7(3) . . . . ?
Fe4 N21_5 C26_5 C25_5 -175.4(15) . . . . ?
C22_5 N21_5 C26_5 C27_5 -178.0(16) . . . . ?
Fe4 N21_5 C26_5 C27_5 0(2) . . . . ?
C24_5 C25_5 C26_5 N21_5 -5(3) . . . . ?
C24_5 C25_5 C26_5 C27_5 -179.7(18) . . . . ?
N21_5 C26_5 C27_5 N28_5 0(2) . . . . ?
C25_5 C26_5 C27_5 N28_5 175.3(18) . . . . ?
C26_5 C27_5 N28_5 N29_5 -174.8(14) . . . . ?
C26_5 C27_5 N28_5 Fe4 0(2) . . . . ?
C27_5 N28_5 N29_5 C35_5 -103.6(19) . . . . ?
Fe4 N28_5 N29_5 C35_5 82.6(19) . . . . ?
C27_5 N28_5 N29_5 C30_5 63.4(19) . . . . ?
Fe4 N28_5 N29_5 C30_5 -110.4(16) . . . . ?
C35_5 N29_5 C30_5 O31_5 164.7(19) . . . . ?
N28_5 N29_5 C30_5 O31_5 0(3) . . . . ?
C35_5 N29_5 C30_5 C32_5 -15(3) . . . . ?
N28_5 N29_5 C30_5 C32_5 -179.9(14) . . . . ?
O31_5 C30_5 C32_5 C37_5 5(3) . . . . ?
N29_5 C30_5 C32_5 C37_5 -175.8(15) . . . . ?
O31_5 C30_5 C32_5 C33_5 -169.9(18) . . . . ?
N29_5 C30_5 C32_5 C33_5 10(2) . . . . ?
C37_5 C32_5 C33_5 C34_5 -177.1(16) . . . . ?
C30_5 C32_5 C33_5 C34_5 -3(3) . . . . ?
C37_5 C32_5 C33_5 C13_5 -2(3) . . . . ?
C30_5 C32_5 C33_5 C13_5 172.4(15) . . . . ?
C12_5 C13_5 C33_5 C32_5 -177.2(17) . . . . ?
C14_5 C13_5 C33_5 C32_5 4(3) . . . . ?
C12_5 C13_5 C33_5 C34_5 -2(3) . . . . ?
C14_5 C13_5 C33_5 C34_5 179.1(16) . . . . ?
C32_5 C33_5 C34_5 C38_5 175.8(18) . . . . ?
C13_5 C33_5 C34_5 C38_5 1(3) . . . . ?
C32_5 C33_5 C34_5 C35_5 -1(3) . . . . ?
C13_5 C33_5 C34_5 C35_5 -176.2(16) . . . . ?
C30_5 N29_5 C35_5 O36_5 -172.9(18) . . . . ?
N28_5 N29_5 C35_5 O36_5 -8(3) . . . . ?
C30_5 N29_5 C35_5 C34_5 11(3) . . . . ?
N28_5 N29_5 C35_5 C34_5 176.0(14) . . . . ?
C38_5 C34_5 C35_5 O36_5 5(3) . . . . ?
C33_5 C34_5 C35_5 O36_5 -178.5(17) . . . . ?
C38_5 C34_5 C35_5 N29_5 -179.1(17) . . . . ?
C33_5 C34_5 C35_5 N29_5 -2(3) . . . . ?
C33_5 C32_5 C37_5 C18_5 -2(3) . . . . ?
C30_5 C32_5 C37_5 C18_5 -176.5(15) . . . . ?
C14_5 C18_5 C37_5 C32_5 4(3) . . . . ?
C33_5 C34_5 C38_5 C17_5 1(3) . . . . ?
C35_5 C34_5 C38_5 C17_5 177.9(17) . . . . ?
C12_5 C17_5 C38_5 C34_5 -2(3) . . . . ?
C6_6 N1_6 C2_6 C3_6 -3(3) . . . . ?
Fe2 N1_6 C2_6 C3_6 178.7(13) . . . . ?
N1_6 C2_6 C3_6 C4_6 3(3) . . . . ?
C2_6 C3_6 C4_6 C5_6 -5(3) . . . . ?
C3_6 C4_6 C5_6 C6_6 5(3) . . . . ?
C2_6 N1_6 C6_6 C5_6 4(3) . . . . ?
Fe2 N1_6 C6_6 C5_6 -177.5(15) . . . . ?
C2_6 N1_6 C6_6 C7_6 177.4(16) . . . . ?
Fe2 N1_6 C6_6 C7_6 -4(2) . . . . ?
C4_6 C5_6 C6_6 N1_6 -5(3) . . . . ?
C4_6 C5_6 C6_6 C7_6 -178.4(18) . . . . ?
N1_6 C6_6 C7_6 N8_6 0(2) . . . . ?
C5_6 C6_6 C7_6 N8_6 173.8(18) . . . . ?
C6_6 C7_6 N8_6 N9_6 175.5(15) . . . . ?
C6_6 C7_6 N8_6 Fe2 4(2) . . . . ?
C7_6 N8_6 N9_6 C10_6 106.2(18) . . . . ?
Fe2 N8_6 N9_6 C10_6 -83(2) . . . . ?
C7_6 N8_6 N9_6 C15_6 -74(2) . . . . ?
Fe2 N8_6 N9_6 C15_6 96.7(17) . . . . ?
N8_6 N9_6 C10_6 O11_6 -2(3) . . . . ?
C15_6 N9_6 C10_6 O11_6 178.0(17) . . . . ?
N8_6 N9_6 C10_6 C12_6 177.7(15) . . . . ?
C15_6 N9_6 C10_6 C12_6 -2(3) . . . . ?
O11_6 C10_6 C12_6 C17_6 2(3) . . . . ?
N9_6 C10_6 C12_6 C17_6 -177.9(18) . . . . ?
O11_6 C10_6 C12_6 C13_6 -178.0(17) . . . . ?
N9_6 C10_6 C12_6 C13_6 2(3) . . . . ?
C17_6 C12_6 C13_6 C14_6 179.7(18) . . . . ?
C10_6 C12_6 C13_6 C14_6 0(3) . . . . ?
C17_6 C12_6 C13_6 C33_6 -2(3) . . . . ?
C10_6 C12_6 C13_6 C33_6 178.0(16) . . . . ?
C12_6 C13_6 C14_6 C18_6 179.4(18) . . . . ?
C33_6 C13_6 C14_6 C18_6 1(3) . . . . ?
C12_6 C13_6 C14_6 C15_6 -1(3) . . . . ?
C33_6 C13_6 C14_6 C15_6 -179.8(17) . . . . ?
C10_6 N9_6 C15_6 O16_6 177.4(18) . . . . ?
N8_6 N9_6 C15_6 O16_6 -2(3) . . . . ?
C10_6 N9_6 C15_6 C14_6 0(3) . . . . ?
N8_6 N9_6 C15_6 C14_6 -179.5(14) . . . . ?
C13_6 C14_6 C15_6 O16_6 -175(2) . . . . ?
C18_6 C14_6 C15_6 O16_6 4(3) . . . . ?
C13_6 C14_6 C15_6 N9_6 1(3) . . . . ?
C18_6 C14_6 C15_6 N9_6 -179.4(16) . . . . ?
C13_6 C12_6 C17_6 C38_6 -1(3) . . . . ?
C10_6 C12_6 C17_6 C38_6 179.6(16) . . . . ?
C13_6 C14_6 C18_6 C37_6 -2(3) . . . . ?
C15_6 C14_6 C18_6 C37_6 178.9(17) . . . . ?
C26_6 N21_6 C22_6 C23_6 0(3) . . . . ?
Fe4 N21_6 C22_6 C23_6 -175.3(15) . . . . ?
N21_6 C22_6 C23_6 C24_6 3(3) . . . . ?
C22_6 C23_6 C24_6 C25_6 -3(4) . . . . ?
C23_6 C24_6 C25_6 C26_6 -1(4) . . . . ?
C22_6 N21_6 C26_6 C25_6 -4(3) . . . . ?
Fe4 N21_6 C26_6 C25_6 171.8(18) . . . . ?
C22_6 N21_6 C26_6 C27_6 -179.2(18) . . . . ?
Fe4 N21_6 C26_6 C27_6 -3(3) . . . . ?
C24_6 C25_6 C26_6 N21_6 4(3) . . . . ?
C24_6 C25_6 C26_6 C27_6 179(2) . . . . ?
N21_6 C26_6 C27_6 N28_6 -3(3) . . . . ?
C25_6 C26_6 C27_6 N28_6 -178(2) . . . . ?
C26_6 C27_6 N28_6 N29_6 175.6(17) . . . . ?
C26_6 C27_6 N28_6 Fe4 8(2) . . . . ?
C27_6 N28_6 N29_6 C30_6 -70(2) . . . . ?
Fe4 N28_6 N29_6 C30_6 95(2) . . . . ?
C27_6 N28_6 N29_6 C35_6 109(2) . . . . ?
Fe4 N28_6 N29_6 C35_6 -86.0(19) . . . . ?
C35_6 N29_6 C30_6 O31_6 -177(2) . . . . ?
N28_6 N29_6 C30_6 O31_6 2(3) . . . . ?
C35_6 N29_6 C30_6 C32_6 5(3) . . . . ?
N28_6 N29_6 C30_6 C32_6 -176.6(15) . . . . ?
O31_6 C30_6 C32_6 C37_6 3(3) . . . . ?
N29_6 C30_6 C32_6 C37_6 -178.9(18) . . . . ?
O31_6 C30_6 C32_6 C33_6 -178.4(18) . . . . ?
N29_6 C30_6 C32_6 C33_6 0(3) . . . . ?
C12_6 C13_6 C33_6 C34_6 3(3) . . . . ?
C14_6 C13_6 C33_6 C34_6 -178.4(17) . . . . ?
C12_6 C13_6 C33_6 C32_6 -177.2(17) . . . . ?
C14_6 C13_6 C33_6 C32_6 1(3) . . . . ?
C37_6 C32_6 C33_6 C34_6 177.0(17) . . . . ?
C30_6 C32_6 C33_6 C34_6 -2(3) . . . . ?
C37_6 C32_6 C33_6 C13_6 -3(3) . . . . ?
C30_6 C32_6 C33_6 C13_6 178.4(17) . . . . ?
C13_6 C33_6 C34_6 C38_6 -2(3) . . . . ?
C32_6 C33_6 C34_6 C38_6 178.6(16) . . . . ?
C13_6 C33_6 C34_6 C35_6 179.3(18) . . . . ?
C32_6 C33_6 C34_6 C35_6 0(3) . . . . ?
C30_6 N29_6 C35_6 O36_6 176(2) . . . . ?
N28_6 N29_6 C35_6 O36_6 -2(3) . . . . ?
C30_6 N29_6 C35_6 C34_6 -7(3) . . . . ?
N28_6 N29_6 C35_6 C34_6 174.6(15) . . . . ?
C33_6 C34_6 C35_6 O36_6 -179(2) . . . . ?
C38_6 C34_6 C35_6 O36_6 2(3) . . . . ?
C33_6 C34_6 C35_6 N29_6 4(3) . . . . ?
C38_6 C34_6 C35_6 N29_6 -174.6(16) . . . . ?
C33_6 C32_6 C37_6 C18_6 2(3) . . . . ?
C30_6 C32_6 C37_6 C18_6 -179.3(17) . . . . ?
C14_6 C18_6 C37_6 C32_6 0(3) . . . . ?
C12_6 C17_6 C38_6 C34_6 2(3) . . . . ?
C33_6 C34_6 C38_6 C17_6 -1(3) . . . . ?
C35_6 C34_6 C38_6 C17_6 178.3(17) . . . . ?
C6_7 N1_7 C2_7 C3_7 0(3) . . . . ?
Fe5 N1_7 C2_7 C3_7 177.7(16) . . . . ?
N1_7 C2_7 C3_7 C4_7 -1(4) . . . . ?
C2_7 C3_7 C4_7 C5_7 3(3) . . . . ?
C3_7 C4_7 C5_7 C6_7 -6(3) . . . . ?
C2_7 N1_7 C6_7 C5_7 -3(3) . . . . ?
Fe5 N1_7 C6_7 C5_7 179.5(17) . . . . ?
C2_7 N1_7 C6_7 C7_7 -177.1(17) . . . . ?
Fe5 N1_7 C6_7 C7_7 5(2) . . . . ?
C4_7 C5_7 C6_7 N1_7 6(4) . . . . ?
C4_7 C5_7 C6_7 C7_7 179(2) . . . . ?
N1_7 C6_7 C7_7 N8_7 -2(3) . . . . ?
C5_7 C6_7 C7_7 N8_7 -177(2) . . . . ?
C6_7 C7_7 N8_7 N9_7 176.4(16) . . . . ?
C6_7 C7_7 N8_7 Fe5 -2(2) . . . . ?
C7_7 N8_7 N9_7 C10_7 -68(2) . . . . ?
Fe5 N8_7 N9_7 C10_7 109.8(17) . . . . ?
C7_7 N8_7 N9_7 C15_7 104(2) . . . . ?
Fe5 N8_7 N9_7 C15_7 -79(2) . . . . ?
C15_7 N9_7 C10_7 O11_7 -168(2) . . . . ?
N8_7 N9_7 C10_7 O11_7 2(3) . . . . ?
C15_7 N9_7 C10_7 C12_7 12(3) . . . . ?
N8_7 N9_7 C10_7 C12_7 -177.8(14) . . . . ?
O11_7 C10_7 C12_7 C17_7 -4(3) . . . . ?
N9_7 C10_7 C12_7 C17_7 175.5(17) . . . . ?
O11_7 C10_7 C12_7 C13_7 170.6(19) . . . . ?
N9_7 C10_7 C12_7 C13_7 -10(3) . . . . ?
C17_7 C12_7 C13_7 C14_7 177.0(19) . . . . ?
C10_7 C12_7 C13_7 C14_7 2(3) . . . . ?
C17_7 C12_7 C13_7 C33_7 0(3) . . . . ?
C10_7 C12_7 C13_7 C33_7 -174.6(17) . . . . ?
C12_7 C13_7 C14_7 C18_7 -176(2) . . . . ?
C33_7 C13_7 C14_7 C18_7 1(3) . . . . ?
C12_7 C13_7 C14_7 C15_7 5(3) . . . . ?
C33_7 C13_7 C14_7 C15_7 -178.3(19) . . . . ?
C10_7 N9_7 C15_7 O16_7 172(2) . . . . ?
N8_7 N9_7 C15_7 O16_7 2(3) . . . . ?
C10_7 N9_7 C15_7 C14_7 -6(3) . . . . ?
N8_7 N9_7 C15_7 C14_7 -175.2(15) . . . . ?
C18_7 C14_7 C15_7 O16_7 0(4) . . . . ?
C13_7 C14_7 C15_7 O16_7 179(2) . . . . ?
C18_7 C14_7 C15_7 N9_7 177.5(19) . . . . ?
C13_7 C14_7 C15_7 N9_7 -4(3) . . . . ?
C13_7 C12_7 C17_7 C38_7 2(3) . . . . ?
C10_7 C12_7 C17_7 C38_7 176.9(16) . . . . ?
C13_7 C14_7 C18_7 C37_7 -1(4) . . . . ?
C15_7 C14_7 C18_7 C37_7 178(2) . . . . ?
C26_7 N21_7 C22_7 C23_7 1(3) . . . . ?
Fe6 N21_7 C22_7 C23_7 -179.0(17) . . . . ?
N21_7 C22_7 C23_7 C24_7 -1(4) . . . . ?
C22_7 C23_7 C24_7 C25_7 0(4) . . . . ?
C23_7 C24_7 C25_7 C26_7 1(4) . . . . ?
C22_7 N21_7 C26_7 C25_7 1(4) . . . . ?
Fe6 N21_7 C26_7 C25_7 -180(2) . . . . ?
C22_7 N21_7 C26_7 C27_7 -178.3(18) . . . . ?
Fe6 N21_7 C26_7 C27_7 1(3) . . . . ?
C24_7 C25_7 C26_7 N21_7 -2(4) . . . . ?
C24_7 C25_7 C26_7 C27_7 177(2) . . . . ?
N21_7 C26_7 C27_7 N28_7 -2(3) . . . . ?
C25_7 C26_7 C27_7 N28_7 179(2) . . . . ?
C26_7 C27_7 N28_7 N29_7 174.9(17) . . . . ?
C26_7 C27_7 N28_7 Fe6 2(3) . . . . ?
C27_7 N28_7 N29_7 C30_7 -89(3) . . . . ?
Fe6 N28_7 N29_7 C30_7 83(2) . . . . ?
C27_7 N28_7 N29_7 C35_7 81(2) . . . . ?
Fe6 N28_7 N29_7 C35_7 -107.1(19) . . . . ?
C35_7 N29_7 C30_7 O31_7 -160(3) . . . . ?
N28_7 N29_7 C30_7 O31_7 8(4) . . . . ?
C35_7 N29_7 C30_7 C32_7 15(4) . . . . ?
N28_7 N29_7 C30_7 C32_7 -176.7(19) . . . . ?
O31_7 C30_7 C32_7 C37_7 -10(4) . . . . ?
N29_7 C30_7 C32_7 C37_7 175(2) . . . . ?
O31_7 C30_7 C32_7 C33_7 165(3) . . . . ?
N29_7 C30_7 C32_7 C33_7 -10(4) . . . . ?
C37_7 C32_7 C33_7 C34_7 178(2) . . . . ?
C30_7 C32_7 C33_7 C34_7 3(3) . . . . ?
C37_7 C32_7 C33_7 C13_7 -1(4) . . . . ?
C30_7 C32_7 C33_7 C13_7 -176(2) . . . . ?
C14_7 C13_7 C33_7 C34_7 -179(2) . . . . ?
C12_7 C13_7 C33_7 C34_7 -2(3) . . . . ?
C14_7 C13_7 C33_7 C32_7 1(3) . . . . ?
C12_7 C13_7 C33_7 C32_7 178(2) . . . . ?
C32_7 C33_7 C34_7 C38_7 -178.4(19) . . . . ?
C13_7 C33_7 C34_7 C38_7 1(3) . . . . ?
C32_7 C33_7 C34_7 C35_7 0(3) . . . . ?
C13_7 C33_7 C34_7 C35_7 179.0(18) . . . . ?
C30_7 N29_7 C35_7 O36_7 172(2) . . . . ?
N28_7 N29_7 C35_7 O36_7 4(3) . . . . ?
C30_7 N29_7 C35_7 C34_7 -12(3) . . . . ?
N28_7 N29_7 C35_7 C34_7 179.8(16) . . . . ?
C33_7 C34_7 C35_7 O36_7 179(2) . . . . ?
C38_7 C34_7 C35_7 O36_7 -3(3) . . . . ?
C33_7 C34_7 C35_7 N29_7 4(3) . . . . ?
C38_7 C34_7 C35_7 N29_7 -178.4(17) . . . . ?
C33_7 C32_7 C37_7 C18_7 0(4) . . . . ?
C30_7 C32_7 C37_7 C18_7 175(2) . . . . ?
C14_7 C18_7 C37_7 C32_7 1(4) . . . . ?
C33_7 C34_7 C38_7 C17_7 1(3) . . . . ?
C35_7 C34_7 C38_7 C17_7 -176.8(16) . . . . ?
C12_7 C17_7 C38_7 C34_7 -3(3) . . . . ?
C6_8 N1_8 C2_8 C3_8 5(4) . . . . ?
Fe5 N1_8 C2_8 C3_8 -176.2(18) . . . . ?
N1_8 C2_8 C3_8 C4_8 -1(4) . . . . ?
C2_8 C3_8 C4_8 C5_8 0(4) . . . . ?
C3_8 C4_8 C5_8 C6_8 -2(4) . . . . ?
C2_8 N1_8 C6_8 C7_8 -175.8(19) . . . . ?
Fe5 N1_8 C6_8 C7_8 5(3) . . . . ?
C2_8 N1_8 C6_8 C5_8 -8(4) . . . . ?
Fe5 N1_8 C6_8 C5_8 173.3(18) . . . . ?
C4_8 C5_8 C6_8 N1_8 6(4) . . . . ?
C4_8 C5_8 C6_8 C7_8 175(2) . . . . ?
N1_8 C6_8 C7_8 N8_8 -5(3) . . . . ?
C5_8 C6_8 C7_8 N8_8 -174.1(19) . . . . ?
C6_8 C7_8 N8_8 N9_8 -175.4(17) . . . . ?
C6_8 C7_8 N8_8 Fe5 3(2) . . . . ?
C7_8 N8_8 N9_8 C10_8 86(2) . . . . ?
Fe5 N8_8 N9_8 C10_8 -92(2) . . . . ?
C7_8 N8_8 N9_8 C15_8 -91(2) . . . . ?
Fe5 N8_8 N9_8 C15_8 92(2) . . . . ?
C15_8 N9_8 C10_8 O11_8 173.5(19) . . . . ?
N8_8 N9_8 C10_8 O11_8 -2(3) . . . . ?
C15_8 N9_8 C10_8 C12_8 -6(3) . . . . ?
N8_8 N9_8 C10_8 C12_8 178.4(17) . . . . ?
O11_8 C10_8 C12_8 C17_8 4(3) . . . . ?
N9_8 C10_8 C12_8 C17_8 -177.3(19) . . . . ?
O11_8 C10_8 C12_8 C13_8 180(2) . . . . ?
N9_8 C10_8 C12_8 C13_8 -1(3) . . . . ?
C17_8 C12_8 C13_8 C14_8 177(2) . . . . ?
C10_8 C12_8 C13_8 C14_8 1(3) . . . . ?
C17_8 C12_8 C13_8 C33_8 4(3) . . . . ?
C10_8 C12_8 C13_8 C33_8 -172(2) . . . . ?
C12_8 C13_8 C14_8 C18_8 -177(2) . . . . ?
C33_8 C13_8 C14_8 C18_8 -4(3) . . . . ?
C12_8 C13_8 C14_8 C15_8 5(3) . . . . ?
C33_8 C13_8 C14_8 C15_8 178.3(19) . . . . ?
C10_8 N9_8 C15_8 O16_8 -172(2) . . . . ?
N8_8 N9_8 C15_8 O16_8 4(3) . . . . ?
C10_8 N9_8 C15_8 C14_8 12(3) . . . . ?
N8_8 N9_8 C15_8 C14_8 -172.5(17) . . . . ?
C18_8 C14_8 C15_8 O16_8 -6(4) . . . . ?
C13_8 C14_8 C15_8 O16_8 173(2) . . . . ?
C18_8 C14_8 C15_8 N9_8 171.3(19) . . . . ?
C13_8 C14_8 C15_8 N9_8 -10(3) . . . . ?
C13_8 C12_8 C17_8 C38_8 1(3) . . . . ?
C10_8 C12_8 C17_8 C38_8 176(2) . . . . ?
C13_8 C14_8 C18_8 C37_8 3(3) . . . . ?
C15_8 C14_8 C18_8 C37_8 -178.5(18) . . . . ?
C26_8 N21_8 C22_8 C23_8 -4(4) . . . . ?
Fe7 N21_8 C22_8 C23_8 175.6(17) . . . . ?
N21_8 C22_8 C23_8 C24_8 -1(4) . . . . ?
C22_8 C23_8 C24_8 C25_8 5(4) . . . . ?
C23_8 C24_8 C25_8 C26_8 -3(4) . . . . ?
C22_8 N21_8 C26_8 C25_8 6(4) . . . . ?
Fe7 N21_8 C26_8 C25_8 -174(2) . . . . ?
C22_8 N21_8 C26_8 C27_8 177(2) . . . . ?
Fe7 N21_8 C26_8 C27_8 -2(3) . . . . ?
C24_8 C25_8 C26_8 N21_8 -2(5) . . . . ?
C24_8 C25_8 C26_8 C27_8 -173(2) . . . . ?
N21_8 C26_8 C27_8 N28_8 10(3) . . . . ?
C25_8 C26_8 C27_8 N28_8 -178(2) . . . . ?
C26_8 C27_8 N28_8 N29_8 -172(2) . . . . ?
C26_8 C27_8 N28_8 Fe7 -13(3) . . . . ?
C27_8 N28_8 N29_8 C30_8 -116(2) . . . . ?
Fe7 N28_8 N29_8 C30_8 87(2) . . . . ?
C27_8 N28_8 N29_8 C35_8 64(3) . . . . ?
Fe7 N28_8 N29_8 C35_8 -92(3) . . . . ?
C35_8 N29_8 C30_8 O31_8 -179(2) . . . . ?
N28_8 N29_8 C30_8 O31_8 2(3) . . . . ?
C35_8 N29_8 C30_8 C32_8 1(4) . . . . ?
N28_8 N29_8 C30_8 C32_8 -178.4(19) . . . . ?
O31_8 C30_8 C32_8 C33_8 177(2) . . . . ?
N29_8 C30_8 C32_8 C33_8 -3(3) . . . . ?
O31_8 C30_8 C32_8 C37_8 -2(4) . . . . ?
N29_8 C30_8 C32_8 C37_8 178(2) . . . . ?
C37_8 C32_8 C33_8 C13_8 -2(4) . . . . ?
C30_8 C32_8 C33_8 C13_8 179(2) . . . . ?
C37_8 C32_8 C33_8 C34_8 -177(2) . . . . ?
C30_8 C32_8 C33_8 C34_8 4(4) . . . . ?
C12_8 C13_8 C33_8 C32_8 177(2) . . . . ?
C14_8 C13_8 C33_8 C32_8 3(3) . . . . ?
C12_8 C13_8 C33_8 C34_8 -8(3) . . . . ?
C14_8 C13_8 C33_8 C34_8 178.1(19) . . . . ?
C32_8 C33_8 C34_8 C38_8 -176(2) . . . . ?
C13_8 C33_8 C34_8 C38_8 8(4) . . . . ?
C32_8 C33_8 C34_8 C35_8 -2(3) . . . . ?
C13_8 C33_8 C34_8 C35_8 -178(2) . . . . ?
C30_8 N29_8 C35_8 O36_8 177(2) . . . . ?
N28_8 N29_8 C35_8 O36_8 -4(4) . . . . ?
C30_8 N29_8 C35_8 C34_8 0(4) . . . . ?
N28_8 N29_8 C35_8 C34_8 179.7(19) . . . . ?
C38_8 C34_8 C35_8 O36_8 -2(4) . . . . ?
C33_8 C34_8 C35_8 O36_8 -176(2) . . . . ?
C38_8 C34_8 C35_8 N29_8 175(2) . . . . ?
C33_8 C34_8 C35_8 N29_8 0(3) . . . . ?
C33_8 C32_8 C37_8 C18_8 2(3) . . . . ?
C30_8 C32_8 C37_8 C18_8 -179.4(19) . . . . ?
C14_8 C18_8 C37_8 C32_8 -2(3) . . . . ?
C33_8 C34_8 C38_8 C17_8 -4(4) . . . . ?
C35_8 C34_8 C38_8 C17_8 -178(2) . . . . ?
C12_8 C17_8 C38_8 C34_8 -1(4) . . . . ?
C6_9 N1_9 C2_9 C3_9 -1(3) . . . . ?
Fe5 N1_9 C2_9 C3_9 -177.7(14) . . . . ?
N1_9 C2_9 C3_9 C4_9 -3(3) . . . . ?
C2_9 C3_9 C4_9 C5_9 5(3) . . . . ?
C3_9 C4_9 C5_9 C6_9 -4(3) . . . . ?
C2_9 N1_9 C6_9 C5_9 2(3) . . . . ?
Fe5 N1_9 C6_9 C5_9 179.2(17) . . . . ?
C2_9 N1_9 C6_9 C7_9 -177.0(18) . . . . ?
Fe5 N1_9 C6_9 C7_9 0(2) . . . . ?
C4_9 C5_9 C6_9 N1_9 0(3) . . . . ?
C4_9 C5_9 C6_9 C7_9 179.2(19) . . . . ?
N1_9 C6_9 C7_9 N8_9 -1(3) . . . . ?
C5_9 C6_9 C7_9 N8_9 -179.5(19) . . . . ?
C6_9 C7_9 N8_9 N9_9 -177.4(15) . . . . ?
C6_9 C7_9 N8_9 Fe5 1(2) . . . . ?
C7_9 N8_9 N9_9 C10_9 -82(2) . . . . ?
Fe5 N8_9 N9_9 C10_9 100.6(18) . . . . ?
C7_9 N8_9 N9_9 C15_9 103(2) . . . . ?
Fe5 N8_9 N9_9 C15_9 -75(2) . . . . ?
N8_9 N9_9 C10_9 O11_9 4(3) . . . . ?
C15_9 N9_9 C10_9 O11_9 179(2) . . . . ?
N8_9 N9_9 C10_9 C12_9 177.5(17) . . . . ?
C15_9 N9_9 C10_9 C12_9 -8(3) . . . . ?
O11_9 C10_9 C12_9 C17_9 0(4) . . . . ?
N9_9 C10_9 C12_9 C17_9 -173(2) . . . . ?
O11_9 C10_9 C12_9 C13_9 -173(2) . . . . ?
N9_9 C10_9 C12_9 C13_9 14(3) . . . . ?
C17_9 C12_9 C13_9 C33_9 7(4) . . . . ?
C10_9 C12_9 C13_9 C33_9 180(2) . . . . ?
C17_9 C12_9 C13_9 C14_9 175(2) . . . . ?
C10_9 C12_9 C13_9 C14_9 -12(4) . . . . ?
C33_9 C13_9 C14_9 C18_9 -9(3) . . . . ?
C12_9 C13_9 C14_9 C18_9 -178(2) . . . . ?
C33_9 C13_9 C14_9 C15_9 171(2) . . . . ?
C12_9 C13_9 C14_9 C15_9 2(3) . . . . ?
N8_9 N9_9 C15_9 O16_9 -12(3) . . . . ?
C10_9 N9_9 C15_9 O16_9 174(2) . . . . ?
N8_9 N9_9 C15_9 C14_9 173.8(17) . . . . ?
C10_9 N9_9 C15_9 C14_9 -1(3) . . . . ?
C18_9 C14_9 C15_9 O16_9 10(4) . . . . ?
C13_9 C14_9 C15_9 O16_9 -170(2) . . . . ?
C18_9 C14_9 C15_9 N9_9 -176(2) . . . . ?
C13_9 C14_9 C15_9 N9_9 4(3) . . . . ?
C13_9 C12_9 C17_9 C38_9 -6(4) . . . . ?
C10_9 C12_9 C17_9 C38_9 -179(2) . . . . ?
C13_9 C14_9 C18_9 C37_9 4(4) . . . . ?
C15_9 C14_9 C18_9 C37_9 -176(2) . . . . ?
C26_9 N21_9 C22_9 C23_9 1(5) . . . . ?
Fe8 N21_9 C22_9 C23_9 173(2) . . . . ?
N21_9 C22_9 C23_9 C24_9 0(5) . . . . ?
C22_9 C23_9 C24_9 C25_9 2(5) . . . . ?
C23_9 C24_9 C25_9 C26_9 -5(5) . . . . ?
C22_9 N21_9 C26_9 C25_9 -5(5) . . . . ?
Fe8 N21_9 C26_9 C25_9 -178(2) . . . . ?
C22_9 N21_9 C26_9 C27_9 176(2) . . . . ?
Fe8 N21_9 C26_9 C27_9 2(3) . . . . ?
C24_9 C25_9 C26_9 N21_9 7(5) . . . . ?
C24_9 C25_9 C26_9 C27_9 -174(2) . . . . ?
N21_9 C26_9 C27_9 N28_9 -1(4) . . . . ?
C25_9 C26_9 C27_9 N28_9 179(2) . . . . ?
C26_9 C27_9 N28_9 N29_9 -167.5(18) . . . . ?
C26_9 C27_9 N28_9 Fe8 0(3) . . . . ?
C27_9 N28_9 N29_9 C35_9 51(3) . . . . ?
Fe8 N28_9 N29_9 C35_9 -113.6(19) . . . . ?
C27_9 N28_9 N29_9 C30_9 -108(2) . . . . ?
Fe8 N28_9 N29_9 C30_9 87(2) . . . . ?
C35_9 N29_9 C30_9 O31_9 -167(2) . . . . ?
N28_9 N29_9 C30_9 O31_9 -10(3) . . . . ?
C35_9 N29_9 C30_9 C32_9 18(3) . . . . ?
N28_9 N29_9 C30_9 C32_9 175.2(19) . . . . ?
O31_9 C30_9 C32_9 C37_9 6(5) . . . . ?
N29_9 C30_9 C32_9 C37_9 -180(2) . . . . ?
O31_9 C30_9 C32_9 C33_9 177(3) . . . . ?
N29_9 C30_9 C32_9 C33_9 -9(4) . . . . ?
C37_9 C32_9 C33_9 C13_9 -10(4) . . . . ?
C30_9 C32_9 C33_9 C13_9 179(2) . . . . ?
C37_9 C32_9 C33_9 C34_9 178(2) . . . . ?
C30_9 C32_9 C33_9 C34_9 7(4) . . . . ?
C12_9 C13_9 C33_9 C32_9 -179(2) . . . . ?
C14_9 C13_9 C33_9 C32_9 12(4) . . . . ?
C12_9 C13_9 C33_9 C34_9 -7(4) . . . . ?
C14_9 C13_9 C33_9 C34_9 -176(2) . . . . ?
C32_9 C33_9 C34_9 C38_9 178(2) . . . . ?
C13_9 C33_9 C34_9 C38_9 7(4) . . . . ?
C32_9 C33_9 C34_9 C35_9 -12(4) . . . . ?
C13_9 C33_9 C34_9 C35_9 176(2) . . . . ?
N28_9 N29_9 C35_9 O36_9 5(3) . . . . ?
C30_9 N29_9 C35_9 O36_9 163(2) . . . . ?
N28_9 N29_9 C35_9 C34_9 179.3(19) . . . . ?
C30_9 N29_9 C35_9 C34_9 -24(3) . . . . ?
C38_9 C34_9 C35_9 O36_9 3(4) . . . . ?
C33_9 C34_9 C35_9 O36_9 -166(2) . . . . ?
C38_9 C34_9 C35_9 N29_9 -171(2) . . . . ?
C33_9 C34_9 C35_9 N29_9 20(3) . . . . ?
C33_9 C32_9 C37_9 C18_9 5(4) . . . . ?
C30_9 C32_9 C37_9 C18_9 177(2) . . . . ?
C14_9 C18_9 C37_9 C32_9 -2(4) . . . . ?
C33_9 C34_9 C38_9 C17_9 -6(4) . . . . ?
C35_9 C34_9 C38_9 C17_9 -175(2) . . . . ?
C12_9 C17_9 C38_9 C34_9 6(4) . . . . ?
C6_10 N1_10 C2_10 C3_10 -8(3) . . . . ?
Fe6 N1_10 C2_10 C3_10 172.8(17) . . . . ?
N1_10 C2_10 C3_10 C4_10 11(4) . . . . ?
C2_10 C3_10 C4_10 C5_10 -9(4) . . . . ?
C3_10 C4_10 C5_10 C6_10 4(4) . . . . ?
C2_10 N1_10 C6_10 C5_10 3(4) . . . . ?
Fe6 N1_10 C6_10 C5_10 -177.9(18) . . . . ?
C2_10 N1_10 C6_10 C7_10 175.1(19) . . . . ?
Fe6 N1_10 C6_10 C7_10 -6(3) . . . . ?
C4_10 C5_10 C6_10 N1_10 -1(4) . . . . ?
C4_10 C5_10 C6_10 C7_10 -173(2) . . . . ?
N1_10 C6_10 C7_10 N8_10 1(3) . . . . ?
C5_10 C6_10 C7_10 N8_10 174(2) . . . . ?
C6_10 C7_10 N8_10 N9_10 -170.2(16) . . . . ?
C6_10 C7_10 N8_10 Fe6 3(2) . . . . ?
C7_10 N8_10 N9_10 C10_10 63(2) . . . . ?
Fe6 N8_10 N9_10 C10_10 -108.5(16) . . . . ?
C7_10 N8_10 N9_10 C15_10 -112.5(18) . . . . ?
Fe6 N8_10 N9_10 C15_10 76.0(19) . . . . ?
N8_10 N9_10 C10_10 O11_10 -6(3) . . . . ?
C15_10 N9_10 C10_10 O11_10 169.2(18) . . . . ?
N8_10 N9_10 C10_10 C12_10 179.0(15) . . . . ?
C15_10 N9_10 C10_10 C12_10 -6(3) . . . . ?
O11_10 C10_10 C12_10 C17_10 7(3) . . . . ?
N9_10 C10_10 C12_10 C17_10 -178.1(18) . . . . ?
O11_10 C10_10 C12_10 C13_10 -173(2) . . . . ?
N9_10 C10_10 C12_10 C13_10 2(3) . . . . ?
C17_10 C12_10 C13_10 C33_10 0(3) . . . . ?
C10_10 C12_10 C13_10 C33_10 179.4(19) . . . . ?
C17_10 C12_10 C13_10 C14_10 -175.7(18) . . . . ?
C10_10 C12_10 C13_10 C14_10 4(3) . . . . ?
C33_10 C13_10 C14_10 C18_10 -2(3) . . . . ?
C12_10 C13_10 C14_10 C18_10 173.5(19) . . . . ?
C33_10 C13_10 C14_10 C15_10 177.3(19) . . . . ?
C12_10 C13_10 C14_10 C15_10 -7(3) . . . . ?
N8_10 N9_10 C15_10 O16_10 4(3) . . . . ?
C10_10 N9_10 C15_10 O16_10 -170.9(18) . . . . ?
N8_10 N9_10 C15_10 C14_10 178.0(15) . . . . ?
C10_10 N9_10 C15_10 C14_10 3(3) . . . . ?
C18_10 C14_10 C15_10 O16_10 -3(3) . . . . ?
C13_10 C14_10 C15_10 O16_10 177.5(19) . . . . ?
C18_10 C14_10 C15_10 N9_10 -176.8(18) . . . . ?
C13_10 C14_10 C15_10 N9_10 4(3) . . . . ?
C13_10 C12_10 C17_10 C38_10 -4(3) . . . . ?
C10_10 C12_10 C17_10 C38_10 177(2) . . . . ?
C13_10 C14_10 C18_10 C37_10 2(3) . . . . ?
C15_10 C14_10 C18_10 C37_10 -177.7(19) . . . . ?
C26_10 N21_10 C22_10 C23_10 -4(4) . . . . ?
Fe7 N21_10 C22_10 C23_10 -177(2) . . . . ?
N21_10 C22_10 C23_10 C24_10 1(5) . . . . ?
C22_10 C23_10 C24_10 C25_10 -3(5) . . . . ?
C23_10 C24_10 C25_10 C26_10 8(4) . . . . ?
C22_10 N21_10 C26_10 C25_10 10(4) . . . . ?
Fe7 N21_10 C26_10 C25_10 -176(2) . . . . ?
C22_10 N21_10 C26_10 C27_10 176(2) . . . . ?
Fe7 N21_10 C26_10 C27_10 -10(3) . . . . ?
C24_10 C25_10 C26_10 N21_10 -12(4) . . . . ?
C24_10 C25_10 C26_10 C27_10 -177(2) . . . . ?
N21_10 C26_10 C27_10 N28_10 8(3) . . . . ?
C25_10 C26_10 C27_10 N28_10 175(2) . . . . ?
C26_10 C27_10 N28_10 N29_10 176.4(17) . . . . ?
C26_10 C27_10 N28_10 Fe7 -2(3) . . . . ?
C27_10 N28_10 N29_10 C35_10 -77(2) . . . . ?
Fe7 N28_10 N29_10 C35_10 101.5(19) . . . . ?
C27_10 N28_10 N29_10 C30_10 102(2) . . . . ?
Fe7 N28_10 N29_10 C30_10 -80(2) . . . . ?
C35_10 N29_10 C30_10 O31_10 174(2) . . . . ?
N28_10 N29_10 C30_10 O31_10 -4(3) . . . . ?
C35_10 N29_10 C30_10 C32_10 -9(3) . . . . ?
N28_10 N29_10 C30_10 C32_10 173.2(18) . . . . ?
O31_10 C30_10 C32_10 C37_10 -3(4) . . . . ?
N29_10 C30_10 C32_10 C37_10 -179.1(19) . . . . ?
O31_10 C30_10 C32_10 C33_10 -173(3) . . . . ?
N29_10 C30_10 C32_10 C33_10 11(3) . . . . ?
C37_10 C32_10 C33_10 C13_10 2(3) . . . . ?
C30_10 C32_10 C33_10 C13_10 172(2) . . . . ?
C37_10 C32_10 C33_10 C34_10 -177.1(19) . . . . ?
C30_10 C32_10 C33_10 C34_10 -7(3) . . . . ?
C12_10 C13_10 C33_10 C32_10 -175(2) . . . . ?
C14_10 C13_10 C33_10 C32_10 0(3) . . . . ?
C12_10 C13_10 C33_10 C34_10 4(3) . . . . ?
C14_10 C13_10 C33_10 C34_10 179.3(18) . . . . ?
C32_10 C33_10 C34_10 C38_10 175(2) . . . . ?
C13_10 C33_10 C34_10 C38_10 -4(3) . . . . ?
C32_10 C33_10 C34_10 C35_10 0(3) . . . . ?
C13_10 C33_10 C34_10 C35_10 -178.9(19) . . . . ?
N28_10 N29_10 C35_10 O36_10 0(3) . . . . ?
C30_10 N29_10 C35_10 O36_10 -178(2) . . . . ?
N28_10 N29_10 C35_10 C34_10 -179.3(16) . . . . ?
C30_10 N29_10 C35_10 C34_10 3(3) . . . . ?
C38_10 C34_10 C35_10 O36_10 8(3) . . . . ?
C33_10 C34_10 C35_10 O36_10 -177(2) . . . . ?
C38_10 C34_10 C35_10 N29_10 -173.1(19) . . . . ?
C33_10 C34_10 C35_10 N29_10 2(3) . . . . ?
C33_10 C32_10 C37_10 C18_10 -2(3) . . . . ?
C30_10 C32_10 C37_10 C18_10 -173(2) . . . . ?
C14_10 C18_10 C37_10 C32_10 0(3) . . . . ?
C33_10 C34_10 C38_10 C17_10 0(3) . . . . ?
C35_10 C34_10 C38_10 C17_10 175.3(19) . . . . ?
C12_10 C17_10 C38_10 C34_10 4(3) . . . . ?
C6_11 N1_11 C2_11 C3_11 -2(4) . . . . ?
Fe6 N1_11 C2_11 C3_11 169(2) . . . . ?
N1_11 C2_11 C3_11 C4_11 0(5) . . . . ?
C2_11 C3_11 C4_11 C5_11 11(5) . . . . ?
C3_11 C4_11 C5_11 C6_11 -19(5) . . . . ?
C2_11 N1_11 C6_11 C5_11 -7(4) . . . . ?
Fe6 N1_11 C6_11 C5_11 -179(2) . . . . ?
C2_11 N1_11 C6_11 C7_11 172(3) . . . . ?
Fe6 N1_11 C6_11 C7_11 1(3) . . . . ?
C4_11 C5_11 C6_11 N1_11 17(5) . . . . ?
C4_11 C5_11 C6_11 C7_11 -162(3) . . . . ?
N1_11 C6_11 C7_11 N8_11 -3(4) . . . . ?
C5_11 C6_11 C7_11 N8_11 177(3) . . . . ?
C6_11 C7_11 N8_11 N9_11 175(2) . . . . ?
C6_11 C7_11 N8_11 Fe6 3(3) . . . . ?
C7_11 N8_11 N9_11 C10_11 107(2) . . . . ?
Fe6 N8_11 N9_11 C10_11 -83(2) . . . . ?
C7_11 N8_11 N9_11 C15_11 -76(3) . . . . ?
Fe6 N8_11 N9_11 C15_11 94(2) . . . . ?
N8_11 N9_11 C10_11 O11_11 -8(3) . . . . ?
C15_11 N9_11 C10_11 O11_11 176(2) . . . . ?
N8_11 N9_11 C10_11 C12_11 177.1(17) . . . . ?
C15_11 N9_11 C10_11 C12_11 1(3) . . . . ?
O11_11 C10_11 C12_11 C17_11 9(4) . . . . ?
N9_11 C10_11 C12_11 C17_11 -176.4(19) . . . . ?
O11_11 C10_11 C12_11 C13_11 -173(2) . . . . ?
N9_11 C10_11 C12_11 C13_11 1(3) . . . . ?
C17_11 C12_11 C13_11 C33_11 -1(3) . . . . ?
C10_11 C12_11 C13_11 C33_11 -179(2) . . . . ?
C17_11 C12_11 C13_11 C14_11 176.9(19) . . . . ?
C10_11 C12_11 C13_11 C14_11 -1(3) . . . . ?
C33_11 C13_11 C14_11 C18_11 -5(3) . . . . ?
C12_11 C13_11 C14_11 C18_11 177(2) . . . . ?
C33_11 C13_11 C14_11 C15_11 176(2) . . . . ?
C12_11 C13_11 C14_11 C15_11 -2(3) . . . . ?
N8_11 N9_11 C15_11 O16_11 3(3) . . . . ?
C10_11 N9_11 C15_11 O16_11 180(2) . . . . ?
N8_11 N9_11 C15_11 C14_11 -179.2(18) . . . . ?
C10_11 N9_11 C15_11 C14_11 -3(3) . . . . ?
C18_11 C14_11 C15_11 O16_11 2(4) . . . . ?
C13_11 C14_11 C15_11 O16_11 -179(2) . . . . ?
C18_11 C14_11 C15_11 N9_11 -175(2) . . . . ?
C13_11 C14_11 C15_11 N9_11 3(3) . . . . ?
C13_11 C12_11 C17_11 C38_11 1(3) . . . . ?
C10_11 C12_11 C17_11 C38_11 179(2) . . . . ?
C13_11 C14_11 C18_11 C37_11 3(4) . . . . ?
C15_11 C14_11 C18_11 C37_11 -178(2) . . . . ?
C26_11 N21_11 C22_11 C23_11 9(5) . . . . ?
Fe8 N21_11 C22_11 C23_11 180(2) . . . . ?
N21_11 C22_11 C23_11 C24_11 -6(5) . . . . ?
C22_11 C23_11 C24_11 C25_11 5(5) . . . . ?
C23_11 C24_11 C25_11 C26_11 -6(4) . . . . ?
C22_11 N21_11 C26_11 C25_11 -12(5) . . . . ?
Fe8 N21_11 C26_11 C25_11 176(2) . . . . ?
C22_11 N21_11 C26_11 C27_11 175(3) . . . . ?
Fe8 N21_11 C26_11 C27_11 3(3) . . . . ?
C24_11 C25_11 C26_11 N21_11 10(5) . . . . ?
C24_11 C25_11 C26_11 C27_11 -177(2) . . . . ?
N21_11 C26_11 C27_11 N28_11 -6(4) . . . . ?
C25_11 C26_11 C27_11 N28_11 -179(2) . . . . ?
C26_11 C27_11 N28_11 N29_11 178.1(18) . . . . ?
C26_11 C27_11 N28_11 Fe8 5(3) . . . . ?
C27_11 N28_11 N29_11 C35_11 112(2) . . . . ?
Fe8 N28_11 N29_11 C35_11 -76(2) . . . . ?
C27_11 N28_11 N29_11 C30_11 -76(2) . . . . ?
Fe8 N28_11 N29_11 C30_11 95.4(19) . . . . ?
C35_11 N29_11 C30_11 O31_11 -179(2) . . . . ?
N28_11 N29_11 C30_11 O31_11 10(3) . . . . ?
C35_11 N29_11 C30_11 C32_11 -3(3) . . . . ?
N28_11 N29_11 C30_11 C32_11 -173.8(17) . . . . ?
O31_11 C30_11 C32_11 C37_11 -7(4) . . . . ?
N29_11 C30_11 C32_11 C37_11 178(2) . . . . ?
O31_11 C30_11 C32_11 C33_11 175(3) . . . . ?
N29_11 C30_11 C32_11 C33_11 0(3) . . . . ?
C12_11 C13_11 C33_11 C32_11 -178(2) . . . . ?
C14_11 C13_11 C33_11 C32_11 4(3) . . . . ?
C12_11 C13_11 C33_11 C34_11 1(3) . . . . ?
C14_11 C13_11 C33_11 C34_11 -177(2) . . . . ?
C37_11 C32_11 C33_11 C13_11 -1(3) . . . . ?
C30_11 C32_11 C33_11 C13_11 176(2) . . . . ?
C37_11 C32_11 C33_11 C34_11 -180(2) . . . . ?
C30_11 C32_11 C33_11 C34_11 -2(4) . . . . ?
C13_11 C33_11 C34_11 C38_11 0(3) . . . . ?
C32_11 C33_11 C34_11 C38_11 179(2) . . . . ?
C13_11 C33_11 C34_11 C35_11 -173(2) . . . . ?
C32_11 C33_11 C34_11 C35_11 6(3) . . . . ?
N28_11 N29_11 C35_11 O36_11 -13(3) . . . . ?
C30_11 N29_11 C35_11 O36_11 176(2) . . . . ?
N28_11 N29_11 C35_11 C34_11 177.3(17) . . . . ?
C30_11 N29_11 C35_11 C34_11 7(3) . . . . ?
C38_11 C34_11 C35_11 O36_11 10(4) . . . . ?
C33_11 C34_11 C35_11 O36_11 -177(2) . . . . ?
C38_11 C34_11 C35_11 N29_11 179(2) . . . . ?
C33_11 C34_11 C35_11 N29_11 -8(3) . . . . ?
C33_11 C32_11 C37_11 C18_11 -1(3) . . . . ?
C30_11 C32_11 C37_11 C18_11 -179(2) . . . . ?
C14_11 C18_11 C37_11 C32_11 0(4) . . . . ?
C33_11 C34_11 C38_11 C17_11 -1(3) . . . . ?
C35_11 C34_11 C38_11 C17_11 173(2) . . . . ?
C12_11 C17_11 C38_11 C34_11 0(3) . . . . ?
C6_12 N1_12 C2_12 C3_12 -13(4) . . . . ?
Fe7 N1_12 C2_12 C3_12 178(2) . . . . ?
N1_12 C2_12 C3_12 C4_12 6(5) . . . . ?
C2_12 C3_12 C4_12 C5_12 0(5) . . . . ?
C3_12 C4_12 C5_12 C6_12 2(5) . . . . ?
C2_12 N1_12 C6_12 C5_12 16(4) . . . . ?
Fe7 N1_12 C6_12 C5_12 -174(2) . . . . ?
C2_12 N1_12 C6_12 C7_12 -171(2) . . . . ?
Fe7 N1_12 C6_12 C7_12 -1(3) . . . . ?
C4_12 C5_12 C6_12 N1_12 -10(4) . . . . ?
C4_12 C5_12 C6_12 C7_12 177(3) . . . . ?
N1_12 C6_12 C7_12 N8_12 10(4) . . . . ?
C5_12 C6_12 C7_12 N8_12 -177(2) . . . . ?
C6_12 C7_12 N8_12 N9_12 163(2) . . . . ?
C6_12 C7_12 N8_12 Fe7 -14(3) . . . . ?
C7_12 N8_12 N9_12 C10_12 103(2) . . . . ?
Fe7 N8_12 N9_12 C10_12 -82(2) . . . . ?
C7_12 N8_12 N9_12 C15_12 -61(2) . . . . ?
Fe7 N8_12 N9_12 C15_12 113.5(18) . . . . ?
N8_12 N9_12 C10_12 O11_12 5(3) . . . . ?
C15_12 N9_12 C10_12 O11_12 168(2) . . . . ?
N8_12 N9_12 C10_12 C12_12 177.9(18) . . . . ?
C15_12 N9_12 C10_12 C12_12 -19(3) . . . . ?
O11_12 C10_12 C12_12 C17_12 -3(4) . . . . ?
N9_12 C10_12 C12_12 C17_12 -176(2) . . . . ?
O11_12 C10_12 C12_12 C13_12 -176(2) . . . . ?
N9_12 C10_12 C12_12 C13_12 12(3) . . . . ?
C17_12 C12_12 C13_12 C33_12 1(4) . . . . ?
C10_12 C12_12 C13_12 C33_12 174(2) . . . . ?
C17_12 C12_12 C13_12 C14_12 -175(2) . . . . ?
C10_12 C12_12 C13_12 C14_12 -1(4) . . . . ?
C33_12 C13_12 C14_12 C18_12 4(4) . . . . ?
C12_12 C13_12 C14_12 C18_12 179(2) . . . . ?
C33_12 C13_12 C14_12 C15_12 -178(2) . . . . ?
C12_12 C13_12 C14_12 C15_12 -3(4) . . . . ?
N8_12 N9_12 C15_12 O16_12 -5(3) . . . . ?
C10_12 N9_12 C15_12 O16_12 -169(2) . . . . ?
N8_12 N9_12 C15_12 C14_12 178.4(17) . . . . ?
C10_12 N9_12 C15_12 C14_12 15(3) . . . . ?
C18_12 C14_12 C15_12 O16_12 -2(4) . . . . ?
C13_12 C14_12 C15_12 O16_12 -180(2) . . . . ?
C18_12 C14_12 C15_12 N9_12 174.2(19) . . . . ?
C13_12 C14_12 C15_12 N9_12 -4(3) . . . . ?
C13_12 C12_12 C17_12 C38_12 -2(4) . . . . ?
C10_12 C12_12 C17_12 C38_12 -175(2) . . . . ?
C13_12 C14_12 C18_12 C37_12 0(4) . . . . ?
C15_12 C14_12 C18_12 C37_12 -178(2) . . . . ?
C26_12 N21_12 C22_12 C23_12 -10(5) . . . . ?
Fe8 N21_12 C22_12 C23_12 173(2) . . . . ?
N21_12 C22_12 C23_12 C24_12 14(5) . . . . ?
C22_12 C23_12 C24_12 C25_12 -17(5) . . . . ?
C23_12 C24_12 C25_12 C26_12 15(5) . . . . ?
C22_12 N21_12 C26_12 C25_12 9(5) . . . . ?
Fe8 N21_12 C26_12 C25_12 -174(3) . . . . ?
C22_12 N21_12 C26_12 C27_12 171(3) . . . . ?
Fe8 N21_12 C26_12 C27_12 -12(4) . . . . ?
C24_12 C25_12 C26_12 N21_12 -12(5) . . . . ?
C24_12 C25_12 C26_12 C27_12 -174(3) . . . . ?
N21_12 C26_12 C27_12 N28_12 6(4) . . . . ?
C25_12 C26_12 C27_12 N28_12 169(3) . . . . ?
C26_12 C27_12 N28_12 N29_12 174(2) . . . . ?
C26_12 C27_12 N28_12 Fe8 2(3) . . . . ?
C27_12 N28_12 N29_12 C35_12 -110(2) . . . . ?
Fe8 N28_12 N29_12 C35_12 61(3) . . . . ?
C27_12 N28_12 N29_12 C30_12 75(3) . . . . ?
Fe8 N28_12 N29_12 C30_12 -114.9(19) . . . . ?
C35_12 N29_12 C30_12 O31_12 -172(2) . . . . ?
N28_12 N29_12 C30_12 O31_12 3(3) . . . . ?
C35_12 N29_12 C30_12 C32_12 4(4) . . . . ?
N28_12 N29_12 C30_12 C32_12 179.1(19) . . . . ?
O31_12 C30_12 C32_12 C37_12 -12(5) . . . . ?
N29_12 C30_12 C32_12 C37_12 174(2) . . . . ?
O31_12 C30_12 C32_12 C33_12 168(3) . . . . ?
N29_12 C30_12 C32_12 C33_12 -7(4) . . . . ?
C12_12 C13_12 C33_12 C32_12 -180(2) . . . . ?
C14_12 C13_12 C33_12 C32_12 -4(4) . . . . ?
C12_12 C13_12 C33_12 C34_12 -3(4) . . . . ?
C14_12 C13_12 C33_12 C34_12 173(2) . . . . ?
C37_12 C32_12 C33_12 C13_12 0(4) . . . . ?
C30_12 C32_12 C33_12 C13_12 -180(2) . . . . ?
C37_12 C32_12 C33_12 C34_12 -177(2) . . . . ?
C30_12 C32_12 C33_12 C34_12 4(4) . . . . ?
C13_12 C33_12 C34_12 C38_12 5(4) . . . . ?
C32_12 C33_12 C34_12 C38_12 -178(2) . . . . ?
C13_12 C33_12 C34_12 C35_12 -174(2) . . . . ?
C32_12 C33_12 C34_12 C35_12 3(4) . . . . ?
N28_12 N29_12 C35_12 O36_12 9(4) . . . . ?
C30_12 N29_12 C35_12 O36_12 -176(2) . . . . ?
N28_12 N29_12 C35_12 C34_12 -172.7(18) . . . . ?
C30_12 N29_12 C35_12 C34_12 3(4) . . . . ?
C38_12 C34_12 C35_12 O36_12 -7(4) . . . . ?
C33_12 C34_12 C35_12 O36_12 172(2) . . . . ?
C38_12 C34_12 C35_12 N29_12 175(2) . . . . ?
C33_12 C34_12 C35_12 N29_12 -6(4) . . . . ?
C33_12 C32_12 C37_12 C18_12 4(4) . . . . ?
C30_12 C32_12 C37_12 C18_12 -176(2) . . . . ?
C14_12 C18_12 C37_12 C32_12 -4(4) . . . . ?
C33_12 C34_12 C38_12 C17_12 -6(4) . . . . ?
C35_12 C34_12 C38_12 C17_12 173(2) . . . . ?
C12_12 C17_12 C38_12 C34_12 4(4) . . . . ?
C5_51 O1_51 C2_51 C3_51 -31(4) . . . . ?
O1_51 C2_51 C3_51 C4_51 42(3) . . . . ?
C2_51 C3_51 C4_51 C5_51 -37(4) . . . . ?
C2_51 O1_51 C5_51 C4_51 7(4) . . . . ?
C3_51 C4_51 C5_51 O1_51 19(4) . . . . ?
C5_52 O1_52 C2_52 C3_52 21(4) . . . . ?
O1_52 C2_52 C3_52 C4_52 -7(4) . . . . ?
C2_52 C3_52 C4_52 C5_52 -10(5) . . . . ?
C3_52 C4_52 C5_52 O1_52 24(5) . . . . ?
C2_52 O1_52 C5_52 C4_52 -28(4) . . . . ?
C5_53 O1_53 C2_53 C3_53 -21(6) . . . . ?
O1_53 C2_53 C3_53 C4_53 16(6) . . . . ?
C2_53 C3_53 C4_53 C5_53 -6(7) . . . . ?
C2_53 O1_53 C5_53 C4_53 16(6) . . . . ?
C3_53 C4_53 C5_53 O1_53 -6(6) . . . . ?
C5_54 O1_54 C2_54 C3_54 -17(5) . . . . ?
O1_54 C2_54 C3_54 C4_54 35(5) . . . . ?
C2_54 C3_54 C4_54 C5_54 -36(5) . . . . ?
C2_54 O1_54 C5_54 C4_54 -6(5) . . . . ?
C3_54 C4_54 C5_54 O1_54 27(5) . . . . ?
C5_55 O1_55 C2_55 C3_55 -27(8) . . . . ?
O1_55 C2_55 C3_55 C4_55 51(6) . . . . ?
C2_55 C3_55 C4_55 C5_55 -56(5) . . . . ?
C2_55 O1_55 C5_55 C4_55 -10(8) . . . . ?
C3_55 C4_55 C5_55 O1_55 43(7) . . . . ?
C5_56 O1_56 C2_56 C3_56 0(6) . . . . ?
O1_56 C2_56 C3_56 C4_56 9(6) . . . . ?
C2_56 C3_56 C4_56 C5_56 -14(6) . . . . ?
C2_56 O1_56 C5_56 C4_56 -8(5) . . . . ?
C3_56 C4_56 C5_56 O1_56 14(6) . . . . ?
C5_57 O1_57 C2_57 C3_57 -20(6) . . . . ?
O1_57 C2_57 C3_57 C4_57 8(6) . . . . ?
C2_57 C3_57 C4_57 C5_57 6(7) . . . . ?
C2_57 O1_57 C5_57 C4_57 23(5) . . . . ?
C3_57 C4_57 C5_57 O1_57 -17(6) . . . . ?
C5_58 O1_58 C2_58 C3_58 -21(8) . . . . ?
O1_58 C2_58 C3_58 C4_58 5(10) . . . . ?
C2_58 C3_58 C4_58 C5_58 13(9) . . . . ?
C3_58 C4_58 C5_58 O1_58 -28(8) . . . . ?
C2_58 O1_58 C5_58 C4_58 31(8) . . . . ?
C5_59 O1_59 C2_59 C3_59 -53(4) . . . . ?
C5_59 O1_59 C2_59 C4_59 -22(3) . . . . ?
O1_59 C2_59 C3_59 C4_59 47(5) . . . . ?
C5_59 C2_59 C3_59 C4_59 10(3) . . . . ?
C2_59 C3_59 C4_59 C5_59 -15(5) . . . . ?
C2_59 O1_59 C5_59 C4_59 31(4) . . . . ?
C3_59 C4_59 C5_59 O1_59 -11(5) . . . . ?
C2_59 C4_59 C5_59 O1_59 -22(3) . . . . ?
C3_59 C4_59 C5_59 C2_59 11(3) . . . . ?

_refine_diff_density_max         1.017
_refine_diff_density_min         -0.732
_refine_diff_density_rms         0.097




_exptl_crystal_recrystallization_method 
'diffusion of diethylether in a acetonitrile solution'
_exptl_crystal_preparation       'Magnetic properties'
