#------------------------------------------------------------------------------
#$Date: 2023-12-08 16:16:31 +0200 (Fri, 08 Dec 2023) $
#$Revision: 288183 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/21/4312188.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4312188
loop_
_publ_author_name
'Boris Quinodoz'
'Gaël Labat'
'Helen Stoeckli-Evans'
'Alex von Zelewsky'
_publ_section_title
;
 Chiral Induction in Self-Assembled Helicates: CHIRAGEN Type Ligands with
 Ferrocene Bridging Units
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7994
_journal_page_last               8004
_journal_paper_doi               10.1021/ic049913a
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C101.50 H103 Cl7 Cu2 F24 Fe2 N8 P4'
_chemical_formula_sum            'C101.5 H103 Cl7 Cu2 F24 Fe2 N8 P4'
_chemical_formula_weight         2501.73
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.965(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.7441(13)
_cell_length_b                   24.1082(14)
_cell_length_c                   29.033(2)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      26.05
_cell_measurement_theta_min      1.65
_cell_volume                     15226.6(17)
_computing_cell_refinement       'CELL (Stoe IPDS Software, 2000)'
_computing_data_collection       'EXPOSE (Stoe IPDS Software, 2000)'
_computing_data_reduction        'INTEGRATE (Stoe IPDS Software, 2000)'
_computing_molecular_graphics    'PLATON99 (Spek, 1990)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 0.81\%A
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'STOE IPDS'
_diffrn_measurement_method       'phi oscillation'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0885
_diffrn_reflns_av_sigmaI/netI    0.2136
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            60599
_diffrn_reflns_theta_full        25.97
_diffrn_reflns_theta_max         25.97
_diffrn_reflns_theta_min         2.01
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.692
_exptl_absorpt_correction_T_max  0.681
_exptl_absorpt_correction_T_min  0.215
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'DIFABS (PLATON99, Spek, 1990)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.091
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5092
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.560
_refine_diff_density_min         -0.358
_refine_diff_density_rms         0.076
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.053(13)
_refine_ls_extinction_coef       0.00075(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.729
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1561
_refine_ls_number_reflns         29344
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.729
_refine_ls_R_factor_all          0.1316
_refine_ls_R_factor_gt           0.0603
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0566P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1275
_refine_ls_wR_factor_ref         0.1453
_reflns_number_gt                11611
_reflns_number_total             29344
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ic049913asi20040120_092551_1.cif
_cod_data_source_block           C1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

data name '_atom_site_symetry_multiplicity' was replaced with
'_atom_site_symmetry_multiplicity' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_cell_volume        15226.6(16)
_cod_original_sg_symbol_H-M      'C 2'
_cod_original_formula_sum        'C101.50 H103 Cl7 Cu2 F24 Fe2 N8 P4'
_cod_database_code               4312188
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.83273(5) 0.46922(3) 0.42683(3) 0.0516(3) Uani 1 1 d . . .
Cu2 Cu 0.48770(5) 0.46294(4) 0.24471(4) 0.0522(3) Uani 1 1 d . . .
Cu3 Cu 1.16169(5) 0.43473(3) 0.07598(3) 0.0481(3) Uani 1 1 d . . .
Fe1 Fe 0.62767(6) 0.36485(5) 0.38254(4) 0.0573(3) Uani 1 1 d . . .
Fe2 Fe 0.68084(6) 0.58544(4) 0.30991(4) 0.0540(3) Uani 1 1 d . . .
Fe3 Fe 1.04613(6) 0.42761(5) -0.10207(4) 0.0567(3) Uani 1 1 d . . .
N1 N 0.8062(3) 0.3997(2) 0.3827(2) 0.0500(18) Uani 1 1 d . . .
N2 N 0.8952(3) 0.4742(2) 0.39249(19) 0.0443(16) Uani 1 1 d . . .
N3 N 0.7892(3) 0.5378(2) 0.4438(2) 0.0522(19) Uani 1 1 d . . .
N4 N 0.8444(4) 0.4519(2) 0.4973(2) 0.060(2) Uani 1 1 d . . .
N5 N 0.4811(4) 0.4634(3) 0.3126(3) 0.073(2) Uani 1 1 d . . .
N6 N 0.4373(3) 0.5300(3) 0.2398(3) 0.057(2) Uani 1 1 d . . .
N7 N 0.5594(3) 0.4770(2) 0.2156(2) 0.0529(18) Uani 1 1 d . . .
N8 N 0.4767(3) 0.3964(2) 0.2028(2) 0.0408(16) Uani 1 1 d . . .
N9 N 1.1792(3) 0.4925(2) 0.1284(2) 0.0397(15) Uani 1 1 d . . .
N10 N 1.1301(3) 0.5050(2) 0.0353(3) 0.0535(19) Uani 1 1 d . . .
N11 N 0.8843(3) 0.3614(2) -0.0814(2) 0.0534(18) Uani 1 1 d . . .
N12 N 0.7831(3) 0.3819(2) -0.0571(2) 0.0459(17) Uani 1 1 d . . .
C1 C 0.7227(4) 0.3753(3) 0.4096(3) 0.054(2) Uani 1 1 d . . .
C2 C 0.6903(4) 0.4266(3) 0.4071(3) 0.054(2) Uani 1 1 d . . .
H2A H 0.6954 0.4575 0.3883 0.064 Uiso 1 1 calc R . .
C3 C 0.6489(5) 0.4258(4) 0.4364(3) 0.074(3) Uani 1 1 d . . .
H3A H 0.6244 0.4554 0.4422 0.089 Uiso 1 1 calc R . .
C4 C 0.6531(5) 0.3684(6) 0.4558(3) 0.093(4) Uani 1 1 d . . .
H4A H 0.6300 0.3543 0.4757 0.111 Uiso 1 1 calc R . .
C5 C 0.6965(4) 0.3381(4) 0.4400(3) 0.064(3) Uani 1 1 d . . .
H5A H 0.7074 0.3004 0.4474 0.076 Uiso 1 1 calc R . .
C6 C 0.7679(4) 0.3598(3) 0.3855(2) 0.0418(19) Uani 1 1 d . . .
C7 C 0.7731(4) 0.3068(3) 0.3710(3) 0.064(3) Uani 1 1 d . . .
H7A H 0.7473 0.2785 0.3773 0.077 Uiso 1 1 calc R . .
C8 C 0.8133(5) 0.2948(3) 0.3485(3) 0.069(3) Uani 1 1 d . . .
H8A H 0.8146 0.2584 0.3361 0.083 Uiso 1 1 calc R . .
C9 C 0.8549(4) 0.3352(3) 0.3424(3) 0.063(3) Uani 1 1 d . . .
H9A H 0.8842 0.3267 0.3259 0.076 Uiso 1 1 calc R . .
C10 C 0.8521(4) 0.3870(3) 0.3609(3) 0.051(2) Uani 1 1 d . . .
C11 C 0.8938(4) 0.4308(3) 0.3602(3) 0.0510(19) Uani 1 1 d . . .
C12 C 0.9319(4) 0.4294(4) 0.3313(3) 0.057(2) Uani 1 1 d . . .
H12A H 0.9288 0.4005 0.3084 0.069 Uiso 1 1 calc R . .
C13 C 0.9771(5) 0.4731(4) 0.3366(3) 0.069(3) Uani 1 1 d . . .
H13A H 1.0037 0.4734 0.3167 0.083 Uiso 1 1 calc R . .
C14 C 0.9814(4) 0.5126(3) 0.3692(3) 0.054(2) Uani 1 1 d . . .
C15 C 0.9386(4) 0.5136(3) 0.3958(3) 0.058(2) Uani 1 1 d . . .
C16 C 0.9392(4) 0.5610(3) 0.4297(3) 0.065(3) Uani 1 1 d . . .
H16B H 0.8990 0.5802 0.4195 0.078 Uiso 1 1 calc R . .
H16A H 0.9450 0.5462 0.4625 0.078 Uiso 1 1 calc R . .
C17 C 0.9887(5) 0.6016(3) 0.4310(4) 0.083(3) Uani 1 1 d . . .
H17A H 0.9923 0.6332 0.4540 0.099 Uiso 1 1 d R . .
C18 C 1.0471(5) 0.5701(4) 0.4347(3) 0.081(3) Uani 1 1 d . . .
H18B H 1.0508 0.5353 0.4535 0.097 Uiso 1 1 calc R . .
H18A H 1.0847 0.5929 0.4465 0.097 Uiso 1 1 calc R . .
C19 C 1.0267(5) 0.5603(4) 0.3773(4) 0.087(3) Uani 1 1 d . . .
H19A H 1.0594 0.5593 0.3605 0.105 Uiso 1 1 d R . .
C20 C 0.9887(5) 0.6181(4) 0.3761(3) 0.073(3) Uani 1 1 d . . .
C21 C 0.9282(5) 0.6241(4) 0.3397(4) 0.105(4) Uani 1 1 d . . .
H21A H 0.8976 0.6355 0.3556 0.158 Uiso 1 1 calc R . .
H21B H 0.9161 0.5886 0.3233 0.158 Uiso 1 1 calc R . .
H21C H 0.9309 0.6523 0.3161 0.158 Uiso 1 1 calc R . .
C22 C 1.0288(5) 0.6671(4) 0.3742(4) 0.113(5) Uani 1 1 d . . .
H22A H 1.0692 0.6622 0.3980 0.170 Uiso 1 1 calc R . .
H22B H 1.0096 0.7010 0.3816 0.170 Uiso 1 1 calc R . .
H22C H 1.0339 0.6701 0.3420 0.170 Uiso 1 1 calc R . .
C23 C 0.7615(4) 0.5815(3) 0.3664(3) 0.053(2) Uani 1 1 d . . .
C24 C 0.7576(4) 0.6330(3) 0.3384(3) 0.065(3) Uani 1 1 d . . .
H24A H 0.7575 0.6699 0.3499 0.077 Uiso 1 1 calc R . .
C25 C 0.7542(4) 0.6165(3) 0.2907(3) 0.066(3) Uani 1 1 d . . .
H25A H 0.7529 0.6412 0.2649 0.080 Uiso 1 1 calc R . .
C26 C 0.7527(4) 0.5551(4) 0.2871(3) 0.066(3) Uani 1 1 d . . .
H26A H 0.7489 0.5339 0.2588 0.079 Uiso 1 1 calc R . .
C27 C 0.7581(4) 0.5345(3) 0.3330(3) 0.048(2) Uani 1 1 d . . .
H27A H 0.7593 0.4964 0.3414 0.058 Uiso 1 1 calc R . .
C28 C 0.7627(4) 0.5815(3) 0.4164(3) 0.058(2) Uani 1 1 d . . .
C29 C 0.7380(5) 0.6270(3) 0.4371(3) 0.080(3) Uani 1 1 d . . .
H29A H 0.7176 0.6566 0.4172 0.096 Uiso 1 1 calc R . .
C30 C 0.7435(6) 0.6276(4) 0.4835(3) 0.101(4) Uani 1 1 d . . .
H30A H 0.7303 0.6588 0.4978 0.121 Uiso 1 1 calc R . .
C31 C 0.7687(5) 0.5826(4) 0.5107(4) 0.093(4) Uani 1 1 d . . .
H31A H 0.7715 0.5820 0.5440 0.112 Uiso 1 1 calc R . .
C32 C 0.7902(5) 0.5378(3) 0.4906(3) 0.067(3) Uani 1 1 d . . .
C33 C 0.8190(5) 0.4887(3) 0.5188(3) 0.066(3) Uani 1 1 d . . .
C34 C 0.8247(5) 0.4829(4) 0.5694(3) 0.069(3) Uani 1 1 d . . .
H34A H 0.8066 0.5093 0.5854 0.083 Uiso 1 1 calc R . .
C35 C 0.8551(5) 0.4409(4) 0.5925(3) 0.068(3) Uani 1 1 d . . .
H35A H 0.8583 0.4372 0.6257 0.082 Uiso 1 1 calc R . .
C36 C 0.8830(5) 0.4014(3) 0.5719(3) 0.068(3) Uani 1 1 d . . .
C37 C 0.8762(5) 0.4065(3) 0.5232(3) 0.065(3) Uani 1 1 d . . .
C38 C 0.9022(5) 0.3660(3) 0.4952(3) 0.071(3) Uani 1 1 d . . .
H38B H 0.9322 0.3847 0.4816 0.085 Uiso 1 1 calc R . .
H38A H 0.8690 0.3503 0.4683 0.085 Uiso 1 1 calc R . .
C39 C 0.9351(5) 0.3183(4) 0.5310(3) 0.082(3) Uani 1 1 d . . .
H39A H 0.9552 0.2888 0.5166 0.098 Uiso 1 1 d R . .
C40 C 0.9771(5) 0.3478(3) 0.5753(3) 0.066(3) Uani 1 1 d . . .
H40B H 0.9932 0.3839 0.5680 0.080 Uiso 1 1 calc R . .
H40A H 1.0103 0.3242 0.5954 0.080 Uiso 1 1 calc R . .
C41 C 0.9200(5) 0.3528(3) 0.5941(3) 0.067(3) Uani 1 1 d . . .
H41A H 0.9290 0.3499 0.6299 0.081 Uiso 1 1 d R . .
C42 C 0.8945(6) 0.2971(4) 0.5643(3) 0.090(4) Uani 1 1 d . . .
C43 C 0.8229(6) 0.2890(4) 0.5385(5) 0.114(4) Uani 1 1 d . . .
H43A H 0.8171 0.2682 0.5085 0.171 Uiso 1 1 calc R . .
H43B H 0.8031 0.3254 0.5312 0.171 Uiso 1 1 calc R . .
H43C H 0.8043 0.2684 0.5598 0.171 Uiso 1 1 calc R . .
C44 C 0.9196(7) 0.2432(4) 0.5879(4) 0.128(5) Uani 1 1 d . . .
H44A H 0.9627 0.2482 0.6066 0.193 Uiso 1 1 calc R . .
H44B H 0.9169 0.2149 0.5631 0.193 Uiso 1 1 calc R . .
H44C H 0.8957 0.2314 0.6093 0.193 Uiso 1 1 calc R . .
C45 C 0.5408(4) 0.3780(3) 0.3402(3) 0.051(2) Uani 1 1 d . . .
C46 C 0.5454(4) 0.3259(4) 0.3629(3) 0.066(3) Uani 1 1 d . . .
H46A H 0.5224 0.3139 0.3837 0.080 Uiso 1 1 calc R . .
C47 C 0.5905(4) 0.2946(4) 0.3494(3) 0.059(2) Uani 1 1 d . . .
H47A H 0.6052 0.2589 0.3612 0.071 Uiso 1 1 calc R . .
C48 C 0.6106(4) 0.3273(3) 0.3135(3) 0.048(2) Uani 1 1 d . . .
H48A H 0.6369 0.3155 0.2953 0.058 Uiso 1 1 calc R . .
C49 C 0.5831(4) 0.3781(3) 0.3121(3) 0.046(2) Uani 1 1 d . . .
H49A H 0.5911 0.4093 0.2948 0.055 Uiso 1 1 calc R . .
C50 C 0.5014(4) 0.4237(4) 0.3483(3) 0.075(3) Uani 1 1 d . . .
C51 C 0.4825(5) 0.4250(5) 0.3911(4) 0.097(4) Uani 1 1 d . . .
H51A H 0.4930 0.3953 0.4135 0.116 Uiso 1 1 calc R . .
C52 C 0.4493(8) 0.4690(7) 0.3997(4) 0.181(8) Uani 1 1 d . . .
H52A H 0.4391 0.4710 0.4291 0.218 Uiso 1 1 calc R . .
C53 C 0.4297(7) 0.5122(6) 0.3648(4) 0.135(6) Uani 1 1 d . . .
H53A H 0.4071 0.5432 0.3707 0.162 Uiso 1 1 calc R . .
C54 C 0.4451(5) 0.5071(5) 0.3209(4) 0.084(3) Uani 1 1 d . . .
C55 C 0.4257(6) 0.5455(4) 0.2818(4) 0.093(4) Uani 1 1 d . . .
C56 C 0.3938(6) 0.5934(4) 0.2852(4) 0.105(4) Uani 1 1 d . . .
H56A H 0.3893 0.6039 0.3155 0.126 Uiso 1 1 calc R . .
C57 C 0.3687(6) 0.6259(5) 0.2460(5) 0.101(4) Uani 1 1 d . . .
H57A H 0.3425 0.6561 0.2473 0.121 Uiso 1 1 calc R . .
C58 C 0.3827(6) 0.6133(4) 0.2059(5) 0.108(4) Uani 1 1 d . . .
C59 C 0.4146(5) 0.5632(3) 0.2017(4) 0.078(3) Uani 1 1 d . . .
C60 C 0.4243(4) 0.5480(3) 0.1548(3) 0.059(2) Uani 1 1 d . . .
H60B H 0.4086 0.5099 0.1461 0.071 Uiso 1 1 calc R . .
H60A H 0.4689 0.5480 0.1583 0.071 Uiso 1 1 calc R . .
C61 C 0.3923(4) 0.5873(4) 0.1146(3) 0.065(2) Uani 1 1 d . . .
H61A H 0.3975 0.5782 0.0824 0.078 Uiso 1 1 d R . .
C62 C 0.3231(6) 0.5959(4) 0.1151(4) 0.113(4) Uani 1 1 d . . .
H62B H 0.3044 0.5636 0.1265 0.136 Uiso 1 1 calc R . .
H62A H 0.2953 0.6121 0.0853 0.136 Uiso 1 1 calc R . .
C63 C 0.3560(6) 0.6403(4) 0.1563(5) 0.112(5) Uani 1 1 d . . .
H63A H 0.3311 0.6744 0.1568 0.134 Uiso 1 1 d R . .
C64 C 0.4082(6) 0.6486(4) 0.1314(4) 0.084(3) Uani 1 1 d . . .
C65 C 0.4745(7) 0.6570(4) 0.1601(4) 0.100(4) Uani 1 1 d . . .
H65A H 0.5013 0.6449 0.1409 0.150 Uiso 1 1 calc R . .
H65B H 0.4836 0.6350 0.1897 0.150 Uiso 1 1 calc R . .
H65C H 0.4818 0.6963 0.1682 0.150 Uiso 1 1 calc R . .
C66 C 0.3874(6) 0.6885(4) 0.0880(4) 0.099(4) Uani 1 1 d . . .
H66A H 0.3430 0.6850 0.0733 0.149 Uiso 1 1 calc R . .
H66B H 0.4089 0.6792 0.0643 0.149 Uiso 1 1 calc R . .
H66C H 0.3973 0.7268 0.0991 0.149 Uiso 1 1 calc R . .
C67 C 0.5997(4) 0.5580(3) 0.2618(3) 0.048(2) Uani 1 1 d . . .
C68 C 0.6048(4) 0.5386(3) 0.3118(3) 0.062(3) Uani 1 1 d . . .
H68A H 0.6057 0.5016 0.3233 0.075 Uiso 1 1 calc R . .
C69 C 0.6078(5) 0.5872(4) 0.3372(3) 0.075(3) Uani 1 1 d . . .
H69A H 0.6077 0.5875 0.3699 0.090 Uiso 1 1 calc R . .
C70 C 0.6109(5) 0.6363(3) 0.3122(4) 0.078(3) Uani 1 1 d . . .
H70A H 0.6167 0.6731 0.3243 0.094 Uiso 1 1 calc R . .
C71 C 0.6033(4) 0.6176(3) 0.2634(3) 0.064(3) Uani 1 1 d . . .
H71A H 0.6009 0.6410 0.2367 0.077 Uiso 1 1 calc R . .
C72 C 0.5938(4) 0.5228(3) 0.2190(3) 0.046(2) Uani 1 1 d . . .
C73 C 0.6221(4) 0.5381(3) 0.1845(3) 0.065(3) Uani 1 1 d . . .
H73A H 0.6439 0.5721 0.1868 0.078 Uiso 1 1 calc R . .
C74 C 0.6172(5) 0.5020(4) 0.1468(3) 0.078(3) Uani 1 1 d . . .
H74A H 0.6366 0.5113 0.1229 0.093 Uiso 1 1 calc R . .
C75 C 0.5848(4) 0.4522(3) 0.1426(3) 0.062(3) Uani 1 1 d . . .
H75A H 0.5832 0.4263 0.1177 0.074 Uiso 1 1 calc R . .
C76 C 0.5546(3) 0.4432(3) 0.1779(3) 0.0427(18) Uani 1 1 d . . .
C77 C 0.5163(4) 0.3941(3) 0.1747(3) 0.045(2) Uani 1 1 d . . .
C78 C 0.5154(4) 0.3495(3) 0.1456(3) 0.059(2) Uani 1 1 d . . .
H78A H 0.5450 0.3474 0.1284 0.070 Uiso 1 1 calc R . .
C79 C 0.4728(4) 0.3074(3) 0.1402(3) 0.060(2) Uani 1 1 d . . .
H79A H 0.4709 0.2777 0.1184 0.072 Uiso 1 1 calc R . .
C80 C 0.4316(4) 0.3105(3) 0.1690(3) 0.051(2) Uani 1 1 d . . .
C81 C 0.4380(4) 0.3562(3) 0.1996(3) 0.053(2) Uani 1 1 d . . .
C82 C 0.3966(4) 0.3566(3) 0.2316(3) 0.048(2) Uani 1 1 d . . .
H82B H 0.3737 0.3920 0.2270 0.057 Uiso 1 1 calc R . .
H82A H 0.4223 0.3550 0.2656 0.057 Uiso 1 1 calc R . .
C83 C 0.3498(4) 0.3078(3) 0.2221(3) 0.050(2) Uani 1 1 d . . .
H83A H 0.3200 0.3074 0.2415 0.060 Uiso 1 1 d R . .
C84 C 0.3219(4) 0.3030(3) 0.1665(3) 0.060(2) Uani 1 1 d . . .
H84B H 0.3180 0.3387 0.1491 0.072 Uiso 1 1 calc R . .
H84A H 0.2834 0.2812 0.1561 0.072 Uiso 1 1 calc R . .
C85 C 0.3826(4) 0.2686(3) 0.1682(3) 0.055(2) Uani 1 1 d . . .
H85A H 0.3778 0.2379 0.1442 0.067 Uiso 1 1 d R . .
C86 C 0.3852(4) 0.2514(3) 0.2199(3) 0.059(2) Uani 1 1 d . . .
C87 C 0.4494(4) 0.2420(3) 0.2562(3) 0.060(2) Uani 1 1 d . . .
H87A H 0.4458 0.2413 0.2890 0.090 Uiso 1 1 calc R . .
H87B H 0.4769 0.2722 0.2533 0.090 Uiso 1 1 calc R . .
H87C H 0.4661 0.2066 0.2492 0.090 Uiso 1 1 calc R . .
C88 C 0.3427(4) 0.2038(3) 0.2226(3) 0.070(3) Uani 1 1 d . . .
H88A H 0.3065 0.2046 0.1942 0.105 Uiso 1 1 calc R . .
H88B H 0.3295 0.2075 0.2517 0.105 Uiso 1 1 calc R . .
H88C H 0.3644 0.1685 0.2235 0.105 Uiso 1 1 calc R . .
C89 C 1.1104(4) 0.4599(3) -0.0421(3) 0.0493(19) Uani 1 1 d . . .
C90 C 1.0968(4) 0.4031(3) -0.0349(3) 0.057(2) Uani 1 1 d . . .
H90A H 1.0817 0.3892 -0.0099 0.069 Uiso 1 1 calc R . .
C91 C 1.1097(4) 0.3715(4) -0.0717(3) 0.067(2) Uani 1 1 d . . .
H91A H 1.1045 0.3325 -0.0756 0.080 Uiso 1 1 calc R . .
C92 C 1.1320(4) 0.4073(4) -0.1021(3) 0.073(3) Uani 1 1 d . . .
H92A H 1.1445 0.3963 -0.1292 0.088 Uiso 1 1 calc R . .
C93 C 1.1321(3) 0.4621(4) -0.0845(3) 0.062(2) Uani 1 1 d . . .
H93A H 1.1442 0.4946 -0.0980 0.074 Uiso 1 1 calc R . .
C94 C 1.1067(4) 0.5091(3) -0.0152(3) 0.056(2) Uani 1 1 d . . .
C95 C 1.0814(7) 0.5571(4) -0.0344(4) 0.122(5) Uani 1 1 d . . .
H95A H 1.0632 0.5592 -0.0683 0.146 Uiso 1 1 calc R . .
C96 C 1.0806(8) 0.6021(5) -0.0078(4) 0.161(8) Uani 1 1 d . . .
H96A H 1.0602 0.6350 -0.0221 0.193 Uiso 1 1 calc R . .
C97 C 1.1087(6) 0.6000(3) 0.0382(4) 0.098(4) Uani 1 1 d . . .
H97A H 1.1116 0.6328 0.0568 0.117 Uiso 1 1 calc R . .
C98 C 1.1345(4) 0.5512(3) 0.0612(3) 0.055(2) Uani 1 1 d . . .
C99 C 1.1626(4) 0.5440(3) 0.1124(3) 0.054(2) Uani 1 1 d . . .
C100 C 1.1741(4) 0.5887(3) 0.1454(3) 0.060(3) Uani 1 1 d . . .
H100 H 1.1613 0.6251 0.1343 0.072 Uiso 1 1 calc R . .
C101 C 1.2039(4) 0.5799(3) 0.1939(3) 0.057(2) Uani 1 1 d . . .
H101 H 1.2129 0.6098 0.2162 0.069 Uiso 1 1 calc R . .
C102 C 1.2204(4) 0.5247(3) 0.2086(3) 0.055(2) Uani 1 1 d . . .
C103 C 1.2048(4) 0.4839(3) 0.1752(3) 0.047(2) Uani 1 1 d . . .
C104 C 1.2174(4) 0.4224(3) 0.1921(3) 0.058(2) Uani 1 1 d . . .
H104 H 1.1781 0.4019 0.1850 0.070 Uiso 1 1 calc R . .
H104 H 1.2435 0.4043 0.1745 0.070 Uiso 1 1 calc R . .
C105 C 1.2496(4) 0.4208(4) 0.2458(3) 0.067(3) Uani 1 1 d . . .
H105 H 1.2642 0.3835 0.2595 0.080 Uiso 1 1 d R . .
C106 C 1.2217(5) 0.4581(4) 0.2770(3) 0.075(3) Uani 1 1 d . . .
C107 C 1.3005(4) 0.4673(4) 0.2546(3) 0.067(2) Uani 1 1 d . . .
H107 H 1.3352 0.4615 0.2840 0.080 Uiso 1 1 calc R . .
H107 H 1.3155 0.4743 0.2263 0.080 Uiso 1 1 calc R . .
C108 C 1.2565(5) 0.5077(3) 0.2604(3) 0.067(3) Uani 1 1 d . . .
H108 H 1.2722 0.5384 0.2840 0.081 Uiso 1 1 d R . .
C109 C 1.2457(5) 0.4470(4) 0.3280(3) 0.090(3) Uani 1 1 d . . .
H109 H 1.2253 0.4142 0.3362 0.135 Uiso 1 1 calc R . .
H109 H 1.2381 0.4790 0.3462 0.135 Uiso 1 1 calc R . .
H109 H 1.2901 0.4403 0.3361 0.135 Uiso 1 1 calc R . .
C110 C 1.1476(5) 0.4616(4) 0.2610(4) 0.083(3) Uani 1 1 d . . .
H110 H 1.1312 0.4313 0.2760 0.124 Uiso 1 1 calc R . .
H110 H 1.1318 0.4584 0.2259 0.124 Uiso 1 1 calc R . .
H110 H 1.1349 0.4972 0.2713 0.124 Uiso 1 1 calc R . .
C111 C 0.9827(4) 0.4849(4) -0.1404(3) 0.068(3) Uani 1 1 d . . .
H111 H 0.9878 0.5239 -0.1413 0.082 Uiso 1 1 calc R . .
C112 C 0.9602(4) 0.4530(4) -0.1051(3) 0.062(3) Uani 1 1 d . . .
H112 H 0.9497 0.4684 -0.0783 0.074 Uiso 1 1 calc R . .
C113 C 0.9568(4) 0.3974(3) -0.1175(3) 0.055(2) Uani 1 1 d . . .
C114 C 0.9791(4) 0.3907(4) -0.1575(4) 0.079(3) Uani 1 1 d . . .
H114 H 0.9832 0.3565 -0.1727 0.094 Uiso 1 1 calc R . .
C115 C 0.9950(4) 0.4462(4) -0.1718(3) 0.059(2) Uani 1 1 d . . .
H115 H 1.0109 0.4540 -0.1979 0.071 Uiso 1 1 calc R . .
C116 C 0.9353(5) 0.3524(4) -0.0952(4) 0.082(3) Uani 1 1 d . . .
C117 C 0.9608(6) 0.2992(4) -0.0921(5) 0.133(6) Uani 1 1 d . . .
H117 H 0.9961 0.2926 -0.1026 0.159 Uiso 1 1 calc R . .
C118 C 0.9338(6) 0.2557(4) -0.0734(6) 0.130(6) Uani 1 1 d . . .
H118 H 0.9513 0.2196 -0.0694 0.156 Uiso 1 1 calc R . .
C119 C 0.8864(6) 0.2662(4) -0.0623(5) 0.117(5) Uani 1 1 d . . .
H119 H 0.8664 0.2361 -0.0520 0.141 Uiso 1 1 calc R . .
C120 C 0.8615(5) 0.3157(3) -0.0637(3) 0.071(3) Uani 1 1 d . . .
C121 C 0.8005(4) 0.3280(3) -0.0543(3) 0.052(2) Uani 1 1 d . . .
C122 C 0.7647(4) 0.2870(3) -0.0436(3) 0.059(2) Uani 1 1 d . . .
H122 H 0.7777 0.2494 -0.0415 0.071 Uiso 1 1 calc R . .
C123 C 0.7071(4) 0.3019(3) -0.0354(3) 0.057(2) Uani 1 1 d . . .
H123 H 0.6818 0.2741 -0.0278 0.068 Uiso 1 1 calc R . .
C124 C 0.6891(4) 0.3568(3) -0.0388(3) 0.050(2) Uani 1 1 d . . .
C125 C 0.7296(4) 0.3962(3) -0.0477(3) 0.048(2) Uani 1 1 d . . .
C126 C 0.7115(4) 0.4562(3) -0.0475(3) 0.052(2) Uani 1 1 d . . .
H126 H 0.7104 0.4732 -0.0788 0.063 Uiso 1 1 calc R . .
H126 H 0.7429 0.4760 -0.0219 0.063 Uiso 1 1 calc R . .
C127 C 0.6493(4) 0.4629(3) -0.0390(3) 0.055(2) Uani 1 1 d . . .
H127 H 0.6336 0.5017 -0.0398 0.065 Uiso 1 1 d R . .
C128 C 0.6048(4) 0.4205(3) -0.0739(3) 0.058(2) Uani 1 1 d . . .
H128 H 0.5605 0.4288 -0.0804 0.069 Uiso 1 1 calc R . .
H128 H 0.6155 0.4123 -0.1039 0.069 Uiso 1 1 calc R . .
C129 C 0.6315(4) 0.3781(3) -0.0314(3) 0.052(2) Uani 1 1 d . . .
H129 H 0.6020 0.3494 -0.0269 0.062 Uiso 1 1 d R . .
C130 C 0.6436(3) 0.4259(3) 0.0036(3) 0.0504(19) Uani 1 1 d . . .
C131 C 0.5862(3) 0.4416(3) 0.0194(3) 0.057(2) Uani 1 1 d . . .
H131 H 0.5512 0.4477 -0.0092 0.086 Uiso 1 1 calc R . .
H131 H 0.5946 0.4756 0.0387 0.086 Uiso 1 1 calc R . .
H131 H 0.5767 0.4114 0.0386 0.086 Uiso 1 1 calc R . .
C132 C 0.6985(4) 0.4211(4) 0.0492(3) 0.066(2) Uani 1 1 d . . .
H132 H 0.7038 0.4562 0.0669 0.099 Uiso 1 1 calc R . .
H132 H 0.7358 0.4129 0.0401 0.099 Uiso 1 1 calc R . .
H132 H 0.6908 0.3912 0.0695 0.099 Uiso 1 1 calc R . .
P1 P 0.72193(15) 0.13874(9) 0.35262(9) 0.0750(8) Uani 1 1 d . . .
F1 F 0.6827(3) 0.1926(2) 0.3329(2) 0.101(2) Uani 1 1 d . . .
F2 F 0.7623(3) 0.0839(2) 0.3733(2) 0.117(2) Uani 1 1 d . . .
F3 F 0.6684(4) 0.1174(3) 0.3727(2) 0.147(3) Uani 1 1 d . . .
F4 F 0.7539(4) 0.1696(2) 0.4014(2) 0.133(3) Uani 1 1 d . . .
F5 F 0.7738(3) 0.1594(2) 0.3304(2) 0.109(2) Uani 1 1 d . . .
F6 F 0.6891(3) 0.1069(2) 0.30303(18) 0.0905(18) Uani 1 1 d . . .
P2 P 0.46265(18) 0.79325(13) 0.25250(11) 0.0924(10) Uani 1 1 d . . .
F21 F 0.5158(4) 0.8401(3) 0.2621(3) 0.158(3) Uani 1 1 d . . .
F22 F 0.4110(6) 0.7500(5) 0.2440(5) 0.260(6) Uani 1 1 d . . .
F23 F 0.4625(6) 0.7908(3) 0.1997(3) 0.211(5) Uani 1 1 d . . .
F24 F 0.5130(4) 0.7461(3) 0.2630(3) 0.154(3) Uani 1 1 d . . .
F25 F 0.4102(5) 0.8393(3) 0.2417(2) 0.164(4) Uani 1 1 d . . .
F26 F 0.4716(3) 0.7973(3) 0.3073(2) 0.126(2) Uani 1 1 d . . .
P3 P 0.5000 0.25493(12) 0.0000 0.0597(9) Uani 1 2 d S . .
F31 F 0.4370(2) 0.2545(2) 0.0126(2) 0.0822(16) Uani 1 1 d . . .
F32 F 0.5257(2) 0.20799(17) 0.03945(16) 0.0685(14) Uani 1 1 d . . .
F33 F 0.5236(3) 0.30218(19) 0.03989(19) 0.0867(17) Uani 1 1 d . . .
P4 P 0.7763(4) 0.1130(3) -0.0671(4) 0.240(7) Uani 0.50 1 d PG A 1
F41 F 0.7987(7) 0.1320(5) -0.1112(4) 0.210(8) Uani 0.756(18) 1 d PG A 1
F44 F 0.8178(6) 0.1582(6) -0.0344(4) 0.23(3) Uani 0.244(18) 1 d PG A 1
F42 F 0.7533(7) 0.0943(6) -0.0217(5) 0.326(12) Uani 0.827(17) 1 d PG A 1
F43 F 0.7212(6) 0.1545(4) -0.0827(6) 0.46(3) Uani 0.69(2) 1 d PG A 1
F45 F 0.8300(6) 0.0692(6) -0.0525(5) 0.24(3) Uani 0.31(2) 1 d PG A 1
F46 F 0.7326(7) 0.0669(4) -0.1005(6) 0.18(3) Uani 0.173(17) 1 d PG A 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N2 Cu1 N4 128.6(3) . . ?
N2 Cu1 N3 122.8(2) . . ?
N4 Cu1 N3 81.7(3) . . ?
N2 Cu1 N1 81.9(2) . . ?
N4 Cu1 N1 112.5(2) . . ?
N3 Cu1 N1 135.9(3) . . ?
N6 Cu2 N8 130.9(3) . . ?
N6 Cu2 N5 81.9(3) . . ?
N8 Cu2 N5 124.8(3) . . ?
N6 Cu2 N7 110.4(3) . . ?
N8 Cu2 N7 81.7(2) . . ?
N5 Cu2 N7 133.5(3) . . ?
N12 Cu3 N9 130.8(3) 2_755 . ?
N12 Cu3 N10 120.8(2) 2_755 . ?
N9 Cu3 N10 79.9(3) . . ?
N12 Cu3 N11 81.3(3) 2_755 2_755 ?
N9 Cu3 N11 121.5(2) . 2_755 ?
N10 Cu3 N11 129.7(3) . 2_755 ?
C47 Fe1 C46 41.2(3) . . ?
C47 Fe1 C45 69.0(4) . . ?
C46 Fe1 C45 40.8(3) . . ?
C47 Fe1 C49 68.4(3) . . ?
C46 Fe1 C49 68.9(3) . . ?
C45 Fe1 C49 41.4(3) . . ?
C47 Fe1 C5 104.0(4) . . ?
C46 Fe1 C5 120.8(3) . . ?
C45 Fe1 C5 158.5(3) . . ?
C49 Fe1 C5 156.7(4) . . ?
C47 Fe1 C4 119.2(4) . . ?
C46 Fe1 C4 105.7(4) . . ?
C45 Fe1 C4 123.9(4) . . ?
C49 Fe1 C4 162.5(4) . . ?
C5 Fe1 C4 40.5(4) . . ?
C47 Fe1 C2 159.4(4) . . ?
C46 Fe1 C2 158.7(4) . . ?
C45 Fe1 C2 123.7(3) . . ?
C49 Fe1 C2 109.2(3) . . ?
C5 Fe1 C2 69.7(3) . . ?
C4 Fe1 C2 69.4(4) . . ?
C47 Fe1 C1 121.8(4) . . ?
C46 Fe1 C1 159.0(3) . . ?
C45 Fe1 C1 158.3(3) . . ?
C49 Fe1 C1 121.3(3) . . ?
C5 Fe1 C1 42.6(3) . . ?
C4 Fe1 C1 69.8(4) . . ?
C2 Fe1 C1 40.5(3) . . ?
C47 Fe1 C3 157.1(4) . . ?
C46 Fe1 C3 121.9(4) . . ?
C45 Fe1 C3 108.3(3) . . ?
C49 Fe1 C3 125.5(4) . . ?
C5 Fe1 C3 69.8(4) . . ?
C4 Fe1 C3 42.1(4) . . ?
C2 Fe1 C3 40.8(3) . . ?
C1 Fe1 C3 69.3(4) . . ?
C47 Fe1 C48 41.8(3) . . ?
C46 Fe1 C48 68.8(3) . . ?
C45 Fe1 C48 67.5(3) . . ?
C49 Fe1 C48 38.4(3) . . ?
C5 Fe1 C48 121.6(4) . . ?
C4 Fe1 C48 156.8(4) . . ?
C2 Fe1 C48 123.8(3) . . ?
C1 Fe1 C48 106.9(3) . . ?
C3 Fe1 C48 159.9(3) . . ?
C70 Fe2 C71 41.7(4) . . ?
C70 Fe2 C69 40.3(3) . . ?
C71 Fe2 C69 66.6(4) . . ?
C70 Fe2 C25 119.8(4) . . ?
C71 Fe2 C25 107.3(4) . . ?
C69 Fe2 C25 156.7(3) . . ?
C70 Fe2 C24 103.5(4) . . ?
C71 Fe2 C24 121.7(4) . . ?
C69 Fe2 C24 121.7(4) . . ?
C25 Fe2 C24 40.6(3) . . ?
C70 Fe2 C26 157.9(4) . . ?
C71 Fe2 C26 122.4(4) . . ?
C69 Fe2 C26 160.3(3) . . ?
C25 Fe2 C26 42.2(3) . . ?
C24 Fe2 C26 70.6(4) . . ?
C70 Fe2 C67 70.2(4) . . ?
C71 Fe2 C67 41.0(3) . . ?
C69 Fe2 C67 66.6(3) . . ?
C25 Fe2 C67 124.6(3) . . ?
C24 Fe2 C67 159.5(3) . . ?
C26 Fe2 C67 107.6(3) . . ?
C70 Fe2 C23 121.6(4) . . ?
C71 Fe2 C23 159.4(3) . . ?
C69 Fe2 C23 109.1(4) . . ?
C25 Fe2 C23 68.3(3) . . ?
C24 Fe2 C23 41.8(3) . . ?
C26 Fe2 C23 68.8(3) . . ?
C67 Fe2 C23 157.9(3) . . ?
C70 Fe2 C68 70.1(3) . . ?
C71 Fe2 C68 70.0(4) . . ?
C69 Fe2 C68 39.0(3) . . ?
C25 Fe2 C68 162.8(3) . . ?
C24 Fe2 C68 155.5(3) . . ?
C26 Fe2 C68 123.9(3) . . ?
C67 Fe2 C68 42.3(3) . . ?
C23 Fe2 C68 120.3(3) . . ?
C70 Fe2 C27 160.3(4) . . ?
C71 Fe2 C27 157.2(3) . . ?
C69 Fe2 C27 126.4(3) . . ?
C25 Fe2 C27 68.1(3) . . ?
C24 Fe2 C27 70.2(3) . . ?
C26 Fe2 C27 39.2(3) . . ?
C67 Fe2 C27 122.0(3) . . ?
C23 Fe2 C27 41.6(3) . . ?
C68 Fe2 C27 107.5(3) . . ?
C91 Fe3 C92 41.8(3) . . ?
C91 Fe3 C112 142.4(4) . . ?
C92 Fe3 C112 175.7(4) . . ?
C91 Fe3 C90 41.0(3) . . ?
C92 Fe3 C90 69.7(4) . . ?
C112 Fe3 C90 113.4(3) . . ?
C91 Fe3 C93 69.4(4) . . ?
C92 Fe3 C93 40.8(3) . . ?
C112 Fe3 C93 136.6(4) . . ?
C90 Fe3 C93 69.4(3) . . ?
C91 Fe3 C115 135.2(3) . . ?
C92 Fe3 C115 108.7(4) . . ?
C112 Fe3 C115 68.4(3) . . ?
C90 Fe3 C115 175.6(3) . . ?
C93 Fe3 C115 112.3(3) . . ?
C91 Fe3 C114 109.2(4) . . ?
C92 Fe3 C114 113.0(4) . . ?
C112 Fe3 C114 67.3(4) . . ?
C90 Fe3 C114 134.5(4) . . ?
C93 Fe3 C114 143.4(4) . . ?
C115 Fe3 C114 41.8(3) . . ?
C91 Fe3 C111 173.8(3) . . ?
C92 Fe3 C111 133.3(4) . . ?
C112 Fe3 C111 42.6(3) . . ?
C90 Fe3 C111 144.7(3) . . ?
C93 Fe3 C111 109.1(4) . . ?
C115 Fe3 C111 39.2(3) . . ?
C114 Fe3 C111 68.2(4) . . ?
C91 Fe3 C89 68.8(3) . . ?
C92 Fe3 C89 69.2(3) . . ?
C112 Fe3 C89 110.9(3) . . ?
C90 Fe3 C89 40.7(3) . . ?
C93 Fe3 C89 41.4(3) . . ?
C115 Fe3 C89 143.1(3) . . ?
C114 Fe3 C89 174.5(4) . . ?
C111 Fe3 C89 114.3(4) . . ?
C91 Fe3 C113 113.3(4) . . ?
C92 Fe3 C113 143.2(4) . . ?
C112 Fe3 C113 39.4(3) . . ?
C90 Fe3 C113 110.4(4) . . ?
C93 Fe3 C113 175.9(4) . . ?
C115 Fe3 C113 68.3(3) . . ?
C114 Fe3 C113 39.6(3) . . ?
C111 Fe3 C113 68.6(3) . . ?
C89 Fe3 C113 135.9(3) . . ?
C6 N1 C10 117.4(6) . . ?
C6 N1 Cu1 128.8(5) . . ?
C10 N1 Cu1 109.4(5) . . ?
C15 N2 C11 116.5(7) . . ?
C15 N2 Cu1 128.8(5) . . ?
C11 N2 Cu1 114.7(5) . . ?
C28 N3 C32 117.7(7) . . ?
C28 N3 Cu1 130.4(5) . . ?
C32 N3 Cu1 111.8(5) . . ?
C33 N4 C37 119.9(7) . . ?
C33 N4 Cu1 113.3(5) . . ?
C37 N4 Cu1 126.7(5) . . ?
C50 N5 C54 118.4(7) . . ?
C50 N5 Cu2 128.5(6) . . ?
C54 N5 Cu2 112.7(6) . . ?
C59 N6 C55 116.3(8) . . ?
C59 N6 Cu2 128.9(6) . . ?
C55 N6 Cu2 114.8(6) . . ?
C72 N7 C76 117.8(6) . . ?
C72 N7 Cu2 128.1(5) . . ?
C76 N7 Cu2 110.3(5) . . ?
C81 N8 C77 118.3(6) . . ?
C81 N8 Cu2 127.7(5) . . ?
C77 N8 Cu2 114.0(5) . . ?
C103 N9 C99 119.5(6) . . ?
C103 N9 Cu3 126.6(4) . . ?
C99 N9 Cu3 113.9(6) . . ?
C98 N10 C94 118.2(6) . . ?
C98 N10 Cu3 113.9(6) . . ?
C94 N10 Cu3 127.9(5) . . ?
C116 N11 C120 115.6(7) . . ?
C116 N11 Cu3 130.7(5) . 2_755 ?
C120 N11 Cu3 113.4(5) . 2_755 ?
C121 N12 C125 119.5(6) . . ?
C121 N12 Cu3 115.9(5) . 2_755 ?
C125 N12 Cu3 124.6(5) . 2_755 ?
C2 C1 C6 128.7(7) . . ?
C2 C1 C5 105.1(7) . . ?
C6 C1 C5 126.0(7) . . ?
C2 C1 Fe1 67.9(5) . . ?
C6 C1 Fe1 126.0(6) . . ?
C5 C1 Fe1 66.6(5) . . ?
C1 C2 C3 111.9(7) . . ?
C1 C2 Fe1 71.5(4) . . ?
C3 C2 Fe1 71.8(5) . . ?
C1 C2 H2A 124.1 . . ?
C3 C2 H2A 124.1 . . ?
Fe1 C2 H2A 124.2 . . ?
C2 C3 C4 104.8(8) . . ?
C2 C3 Fe1 67.5(4) . . ?
C4 C3 Fe1 66.7(5) . . ?
C2 C3 H3A 127.6 . . ?
C4 C3 H3A 127.6 . . ?
Fe1 C3 H3A 129.7 . . ?
C5 C4 C3 109.4(8) . . ?
C5 C4 Fe1 69.5(5) . . ?
C3 C4 Fe1 71.1(5) . . ?
C5 C4 H4A 125.3 . . ?
C3 C4 H4A 125.3 . . ?
Fe1 C4 H4A 125.6 . . ?
C4 C5 C1 108.6(8) . . ?
C4 C5 Fe1 70.0(5) . . ?
C1 C5 Fe1 70.7(4) . . ?
C4 C5 H5A 125.7 . . ?
C1 C5 H5A 125.7 . . ?
Fe1 C5 H5A 125.2 . . ?
N1 C6 C7 123.3(8) . . ?
N1 C6 C1 114.5(6) . . ?
C7 C6 C1 122.0(7) . . ?
C8 C7 C6 120.0(8) . . ?
C8 C7 H7A 120.0 . . ?
C6 C7 H7A 120.0 . . ?
C7 C8 C9 120.4(8) . . ?
C7 C8 H8A 119.8 . . ?
C9 C8 H8A 119.8 . . ?
C10 C9 C8 118.4(8) . . ?
C10 C9 H9A 120.8 . . ?
C8 C9 H9A 120.8 . . ?
C9 C10 N1 120.1(7) . . ?
C9 C10 C11 124.3(8) . . ?
N1 C10 C11 115.6(7) . . ?
C12 C11 N2 122.4(7) . . ?
C12 C11 C10 122.2(8) . . ?
N2 C11 C10 115.4(7) . . ?
C11 C12 C13 118.1(7) . . ?
C11 C12 H12A 121.0 . . ?
C13 C12 H12A 121.0 . . ?
C14 C13 C12 120.2(8) . . ?
C14 C13 H13A 119.9 . . ?
C12 C13 H13A 119.9 . . ?
C13 C14 C15 118.9(8) . . ?
C13 C14 C19 124.2(9) . . ?
C15 C14 C19 116.7(8) . . ?
N2 C15 C14 123.7(8) . . ?
N2 C15 C16 116.6(8) . . ?
C14 C15 C16 119.7(8) . . ?
C17 C16 C15 112.3(8) . . ?
C17 C16 H16B 109.1 . . ?
C15 C16 H16B 109.1 . . ?
C17 C16 H16A 109.1 . . ?
C15 C16 H16A 109.1 . . ?
H16B C16 H16A 107.9 . . ?
C16 C17 C18 108.3(7) . . ?
C16 C17 C20 110.5(7) . . ?
C18 C17 C20 86.7(8) . . ?
C16 C17 H17A 115.6 . . ?
C18 C17 H17A 115.9 . . ?
C20 C17 H17A 116.1 . . ?
C17 C18 C19 91.0(8) . . ?
C17 C18 H18B 113.5 . . ?
C19 C18 H18B 113.5 . . ?
C17 C18 H18A 113.5 . . ?
C19 C18 H18A 113.5 . . ?
H18B C18 H18A 110.8 . . ?
C14 C19 C18 104.4(7) . . ?
C14 C19 C20 108.2(8) . . ?
C18 C19 C20 83.6(7) . . ?
C14 C19 H19A 118.2 . . ?
C18 C19 H19A 118.5 . . ?
C20 C19 H19A 118.3 . . ?
C21 C20 C22 110.2(7) . . ?
C21 C20 C19 118.4(8) . . ?
C22 C20 C19 110.4(8) . . ?
C21 C20 C17 116.9(9) . . ?
C22 C20 C17 113.4(8) . . ?
C19 C20 C17 85.6(6) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C28 C23 C24 122.4(7) . . ?
C28 C23 C27 129.8(6) . . ?
C24 C23 C27 107.5(6) . . ?
C28 C23 Fe2 123.2(6) . . ?
C24 C23 Fe2 68.2(5) . . ?
C27 C23 Fe2 69.6(4) . . ?
C25 C24 C23 106.2(7) . . ?
C25 C24 Fe2 69.6(5) . . ?
C23 C24 Fe2 70.0(4) . . ?
C25 C24 H24A 126.9 . . ?
C23 C24 H24A 126.9 . . ?
Fe2 C24 H24A 125.1 . . ?
C24 C25 C26 110.0(7) . . ?
C24 C25 Fe2 69.8(5) . . ?
C26 C25 Fe2 69.6(4) . . ?
C24 C25 H25A 125.0 . . ?
C26 C25 H25A 125.0 . . ?
Fe2 C25 H25A 127.2 . . ?
C27 C26 C25 107.1(8) . . ?
C27 C26 Fe2 71.1(5) . . ?
C25 C26 Fe2 68.1(5) . . ?
C27 C26 H26A 126.5 . . ?
C25 C26 H26A 126.5 . . ?
Fe2 C26 H26A 125.9 . . ?
C26 C27 C23 109.1(7) . . ?
C26 C27 Fe2 69.7(5) . . ?
C23 C27 Fe2 68.8(4) . . ?
C26 C27 H27A 125.4 . . ?
C23 C27 H27A 125.4 . . ?
Fe2 C27 H27A 127.7 . . ?
N3 C28 C29 120.7(8) . . ?
N3 C28 C23 117.8(7) . . ?
C29 C28 C23 121.5(7) . . ?
C30 C29 C28 120.2(9) . . ?
C30 C29 H29A 119.9 . . ?
C28 C29 H29A 119.9 . . ?
C29 C30 C31 118.8(8) . . ?
C29 C30 H30A 120.6 . . ?
C31 C30 H30A 120.6 . . ?
C30 C31 C32 121.0(9) . . ?
C30 C31 H31A 119.5 . . ?
C32 C31 H31A 119.5 . . ?
N3 C32 C31 121.3(8) . . ?
N3 C32 C33 115.6(7) . . ?
C31 C32 C33 123.0(8) . . ?
N4 C33 C34 119.9(8) . . ?
N4 C33 C32 117.5(7) . . ?
C34 C33 C32 122.4(8) . . ?
C35 C34 C33 118.6(8) . . ?
C35 C34 H34A 120.7 . . ?
C33 C34 H34A 120.7 . . ?
C34 C35 C36 124.0(8) . . ?
C34 C35 H35A 118.0 . . ?
C36 C35 H35A 118.0 . . ?
C35 C36 C37 117.1(8) . . ?
C35 C36 C41 129.5(8) . . ?
C37 C36 C41 113.4(8) . . ?
C36 C37 N4 120.3(8) . . ?
C36 C37 C38 123.6(8) . . ?
N4 C37 C38 116.1(7) . . ?
C37 C38 C39 107.6(7) . . ?
C37 C38 H38B 110.2 . . ?
C39 C38 H38B 110.2 . . ?
C37 C38 H38A 110.2 . . ?
C39 C38 H38A 110.2 . . ?
H38B C38 H38A 108.5 . . ?
C40 C39 C38 105.7(7) . . ?
C40 C39 C42 88.2(7) . . ?
C38 C39 C42 112.4(8) . . ?
C40 C39 H39A 115.5 . . ?
C38 C39 H39A 115.3 . . ?
C42 C39 H39A 116.2 . . ?
C39 C40 C41 87.2(7) . . ?
C39 C40 H40B 114.1 . . ?
C41 C40 H40B 114.1 . . ?
C39 C40 H40A 114.1 . . ?
C41 C40 H40A 114.1 . . ?
H40B C40 H40A 111.3 . . ?
C36 C41 C40 109.6(7) . . ?
C36 C41 C42 110.9(7) . . ?
C40 C41 C42 87.4(7) . . ?
C36 C41 H41A 115.2 . . ?
C40 C41 H41A 115.0 . . ?
C42 C41 H41A 115.6 . . ?
C44 C42 C43 108.0(10) . . ?
C44 C42 C39 109.9(10) . . ?
C43 C42 C39 116.4(8) . . ?
C44 C42 C41 116.5(9) . . ?
C43 C42 C41 120.9(9) . . ?
C39 C42 C41 83.0(7) . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 C49 107.4(7) . . ?
C46 C45 C50 123.6(8) . . ?
C49 C45 C50 128.9(7) . . ?
C46 C45 Fe1 69.5(5) . . ?
C49 C45 Fe1 69.4(5) . . ?
C50 C45 Fe1 123.3(6) . . ?
C45 C46 C47 107.7(7) . . ?
C45 C46 Fe1 69.7(5) . . ?
C47 C46 Fe1 68.9(5) . . ?
C45 C46 H46A 126.1 . . ?
C47 C46 H46A 126.1 . . ?
Fe1 C46 H46A 126.8 . . ?
C46 C47 C48 108.0(7) . . ?
C46 C47 Fe1 69.8(5) . . ?
C48 C47 Fe1 73.5(4) . . ?
C46 C47 H47A 126.0 . . ?
C48 C47 H47A 126.0 . . ?
Fe1 C47 H47A 122.4 . . ?
C49 C48 C47 105.4(7) . . ?
C49 C48 Fe1 66.7(4) . . ?
C47 C48 Fe1 64.7(4) . . ?
C49 C48 H48A 127.3 . . ?
C47 C48 H48A 127.3 . . ?
Fe1 C48 H48A 132.7 . . ?
C48 C49 C45 110.9(7) . . ?
C48 C49 Fe1 74.9(5) . . ?
C45 C49 Fe1 69.2(4) . . ?
C48 C49 H49A 124.5 . . ?
C45 C49 H49A 124.5 . . ?
Fe1 C49 H49A 122.9 . . ?
N5 C50 C51 121.1(9) . . ?
N5 C50 C45 118.6(7) . . ?
C51 C50 C45 120.3(9) . . ?
C52 C51 C50 119.9(10) . . ?
C52 C51 H51A 120.1 . . ?
C50 C51 H51A 120.1 . . ?
C51 C52 C53 120.7(9) . . ?
C51 C52 H52A 119.7 . . ?
C53 C52 H52A 119.7 . . ?
C54 C53 C52 117.7(10) . . ?
C54 C53 H53A 121.1 . . ?
C52 C53 H53A 121.1 . . ?
N5 C54 C53 121.9(10) . . ?
N5 C54 C55 114.3(8) . . ?
C53 C54 C55 123.8(10) . . ?
N6 C55 C56 122.1(10) . . ?
N6 C55 C54 115.7(9) . . ?
C56 C55 C54 122.0(9) . . ?
C57 C56 C55 121.5(10) . . ?
C57 C56 H56A 119.3 . . ?
C55 C56 H56A 119.3 . . ?
C58 C57 C56 116.9(10) . . ?
C58 C57 H57A 121.6 . . ?
C56 C57 H57A 121.6 . . ?
C57 C58 C59 121.6(11) . . ?
C57 C58 C63 126.5(11) . . ?
C59 C58 C63 110.5(11) . . ?
N6 C59 C58 121.1(10) . . ?
N6 C59 C60 118.9(7) . . ?
C58 C59 C60 120.0(10) . . ?
C59 C60 C61 112.7(7) . . ?
C59 C60 H60B 109.1 . . ?
C61 C60 H60B 109.1 . . ?
C59 C60 H60A 109.1 . . ?
C61 C60 H60A 109.1 . . ?
H60B C60 H60A 107.8 . . ?
C60 C61 C64 109.6(8) . . ?
C60 C61 C62 109.0(8) . . ?
C64 C61 C62 90.8(8) . . ?
C60 C61 H61A 115.0 . . ?
C64 C61 H61A 114.9 . . ?
C62 C61 H61A 115.0 . . ?
C61 C62 C63 81.2(8) . . ?
C61 C62 H62B 115.1 . . ?
C63 C62 H62B 115.1 . . ?
C61 C62 H62A 115.1 . . ?
C63 C62 H62A 115.1 . . ?
H62B C62 H62A 112.1 . . ?
C58 C63 C64 109.8(11) . . ?
C58 C63 C62 112.6(9) . . ?
C64 C63 C62 89.5(9) . . ?
C58 C63 H63A 114.0 . . ?
C64 C63 H63A 114.0 . . ?
C62 C63 H63A 114.4 . . ?
C65 C64 C66 112.7(9) . . ?
C65 C64 C61 113.6(8) . . ?
C66 C64 C61 110.2(10) . . ?
C65 C64 C63 122.0(11) . . ?
C66 C64 C63 111.2(10) . . ?
C61 C64 C63 83.5(7) . . ?
C64 C65 H65A 109.5 . . ?
C64 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C64 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C64 C66 H66A 109.5 . . ?
C64 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C64 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C71 C67 C72 126.3(7) . . ?
C71 C67 C68 106.9(7) . . ?
C72 C67 C68 126.8(6) . . ?
C71 C67 Fe2 68.2(5) . . ?
C72 C67 Fe2 126.6(6) . . ?
C68 C67 Fe2 69.1(5) . . ?
C69 C68 C67 103.4(7) . . ?
C69 C68 Fe2 68.9(5) . . ?
C67 C68 Fe2 68.5(4) . . ?
C69 C68 H68A 128.3 . . ?
C67 C68 H68A 128.3 . . ?
Fe2 C68 H68A 125.8 . . ?
C68 C69 C70 116.3(8) . . ?
C68 C69 Fe2 72.1(5) . . ?
C70 C69 Fe2 69.2(6) . . ?
C68 C69 H69A 121.9 . . ?
C70 C69 H69A 121.9 . . ?
Fe2 C69 H69A 128.9 . . ?
C69 C70 C71 103.6(7) . . ?
C69 C70 Fe2 70.4(5) . . ?
C71 C70 Fe2 69.6(5) . . ?
C69 C70 H70A 128.2 . . ?
C71 C70 H70A 128.2 . . ?
Fe2 C70 H70A 123.6 . . ?
C67 C71 C70 109.4(7) . . ?
C67 C71 Fe2 70.8(5) . . ?
C70 C71 Fe2 68.7(5) . . ?
C67 C71 H71A 125.3 . . ?
C70 C71 H71A 125.3 . . ?
Fe2 C71 H71A 126.8 . . ?
N7 C72 C73 123.3(7) . . ?
N7 C72 C67 116.3(6) . . ?
C73 C72 C67 120.4(7) . . ?
C74 C73 C72 117.3(8) . . ?
C74 C73 H73A 121.3 . . ?
C72 C73 H73A 121.3 . . ?
C73 C74 C75 122.0(8) . . ?
C73 C74 H74A 119.0 . . ?
C75 C74 H74A 119.0 . . ?
C74 C75 C76 115.4(7) . . ?
C74 C75 H75A 122.3 . . ?
C76 C75 H75A 122.3 . . ?
N7 C76 C75 123.9(7) . . ?
N7 C76 C77 116.6(6) . . ?
C75 C76 C77 119.4(7) . . ?
C78 C77 N8 120.3(7) . . ?
C78 C77 C76 125.4(7) . . ?
N8 C77 C76 114.3(6) . . ?
C77 C78 C79 122.1(8) . . ?
C77 C78 H78A 118.9 . . ?
C79 C78 H78A 118.9 . . ?
C78 C79 C80 117.0(7) . . ?
C78 C79 H79A 121.5 . . ?
C80 C79 H79A 121.5 . . ?
C81 C80 C79 116.7(8) . . ?
C81 C80 C85 118.8(7) . . ?
C79 C80 C85 124.5(7) . . ?
N8 C81 C80 125.4(7) . . ?
N8 C81 C82 119.1(7) . . ?
C80 C81 C82 115.5(8) . . ?
C81 C82 C83 113.9(6) . . ?
C81 C82 H82B 108.8 . . ?
C83 C82 H82B 108.8 . . ?
C81 C82 H82A 108.8 . . ?
C83 C82 H82A 108.8 . . ?
H82B C82 H82A 107.7 . . ?
C84 C83 C82 107.0(6) . . ?
C84 C83 C86 87.4(6) . . ?
C82 C83 C86 109.0(7) . . ?
C84 C83 H83A 116.3 . . ?
C82 C83 H83A 116.6 . . ?
C86 C83 H83A 116.6 . . ?
C83 C84 C85 85.4(6) . . ?
C83 C84 H84B 114.4 . . ?
C85 C84 H84B 114.4 . . ?
C83 C84 H84A 114.4 . . ?
C85 C84 H84A 114.4 . . ?
H84B C84 H84A 111.5 . . ?
C80 C85 C86 110.3(7) . . ?
C80 C85 C84 106.4(6) . . ?
C86 C85 C84 87.4(6) . . ?
C80 C85 H85A 116.1 . . ?
C86 C85 H85A 116.4 . . ?
C84 C85 H85A 116.4 . . ?
C88 C86 C85 114.1(7) . . ?
C88 C86 C87 110.2(7) . . ?
C85 C86 C87 117.5(7) . . ?
C88 C86 C83 107.9(7) . . ?
C85 C86 C83 86.1(6) . . ?
C87 C86 C83 119.0(7) . . ?
C86 C87 H87A 109.5 . . ?
C86 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C86 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C86 C88 H88A 109.5 . . ?
C86 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
C86 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C90 C89 C94 131.4(7) . . ?
C90 C89 C93 107.5(7) . . ?
C94 C89 C93 121.1(8) . . ?
C90 C89 Fe3 68.5(5) . . ?
C94 C89 Fe3 129.0(6) . . ?
C93 C89 Fe3 68.5(5) . . ?
C91 C90 C89 107.7(7) . . ?
C91 C90 Fe3 67.5(5) . . ?
C89 C90 Fe3 70.7(5) . . ?
C91 C90 H90A 126.2 . . ?
C89 C90 H90A 126.2 . . ?
Fe3 C90 H90A 127.2 . . ?
C90 C91 C92 109.4(8) . . ?
C90 C91 Fe3 71.5(5) . . ?
C92 C91 Fe3 70.0(5) . . ?
C90 C91 H91A 125.3 . . ?
C92 C91 H91A 125.3 . . ?
Fe3 C91 H91A 124.7 . . ?
C93 C92 C91 107.7(7) . . ?
C93 C92 Fe3 70.9(5) . . ?
C91 C92 Fe3 68.2(5) . . ?
C93 C92 H92A 126.1 . . ?
C91 C92 H92A 126.1 . . ?
Fe3 C92 H92A 126.3 . . ?
C92 C93 C89 107.7(8) . . ?
C92 C93 Fe3 68.3(5) . . ?
C89 C93 Fe3 70.1(4) . . ?
C92 C93 H93A 126.1 . . ?
C89 C93 H93A 126.1 . . ?
Fe3 C93 H93A 127.0 . . ?
C95 C94 N10 118.6(8) . . ?
C95 C94 C89 125.0(9) . . ?
N10 C94 C89 116.3(7) . . ?
C96 C95 C94 122.6(11) . . ?
C96 C95 H95A 118.7 . . ?
C94 C95 H95A 118.7 . . ?
C97 C96 C95 118.4(12) . . ?
C97 C96 H96A 120.8 . . ?
C95 C96 H96A 120.8 . . ?
C96 C97 C98 122.4(10) . . ?
C96 C97 H97A 118.8 . . ?
C98 C97 H97A 118.8 . . ?
N10 C98 C97 118.9(8) . . ?
N10 C98 C99 114.8(6) . . ?
C97 C98 C99 126.2(8) . . ?
N9 C99 C100 119.6(8) . . ?
N9 C99 C98 117.5(7) . . ?
C100 C99 C98 122.9(7) . . ?
C101 C100 C99 120.6(8) . . ?
C101 C100 H100 119.7 . . ?
C99 C100 H100 119.7 . . ?
C100 C101 C102 117.2(8) . . ?
C100 C101 H101 121.4 . . ?
C102 C101 H101 121.4 . . ?
C103 C102 C101 118.5(8) . . ?
C103 C102 C108 117.3(7) . . ?
C101 C102 C108 124.2(8) . . ?
N9 C103 C102 124.3(7) . . ?
N9 C103 C104 117.0(6) . . ?
C102 C103 C104 118.6(8) . . ?
C105 C104 C103 109.7(7) . . ?
C105 C104 H104 109.7 . . ?
C103 C104 H104 109.7 . . ?
C105 C104 H104 109.7 . . ?
C103 C104 H104 109.7 . . ?
H104 C104 H104 108.2 . . ?
C104 C105 C106 115.6(7) . . ?
C104 C105 C107 105.0(7) . . ?
C106 C105 C107 84.2(6) . . ?
C104 C105 H105 115.9 . . ?
C106 C105 H105 115.8 . . ?
C107 C105 H105 115.7 . . ?
C109 C106 C105 113.4(8) . . ?
C109 C106 C108 112.2(9) . . ?
C105 C106 C108 86.2(6) . . ?
C109 C106 C110 110.9(7) . . ?
C105 C106 C110 115.8(8) . . ?
C108 C106 C110 116.4(7) . . ?
C108 C107 C105 89.9(6) . . ?
C108 C107 H107 113.7 . . ?
C105 C107 H107 113.7 . . ?
C108 C107 H107 113.7 . . ?
C105 C107 H107 113.7 . . ?
H107 C107 H107 110.9 . . ?
C107 C108 C102 104.8(7) . . ?
C107 C108 C106 87.2(7) . . ?
C102 C108 C106 109.0(8) . . ?
C107 C108 H108 117.3 . . ?
C102 C108 H108 117.0 . . ?
C106 C108 H108 117.4 . . ?
C106 C109 H109 109.5 . . ?
C106 C109 H109 109.5 . . ?
H109 C109 H109 109.5 . . ?
C106 C109 H109 109.5 . . ?
H109 C109 H109 109.5 . . ?
H109 C109 H109 109.5 . . ?
C106 C110 H110 109.5 . . ?
C106 C110 H110 109.5 . . ?
H110 C110 H110 109.5 . . ?
C106 C110 H110 109.5 . . ?
H110 C110 H110 109.5 . . ?
H110 C110 H110 109.5 . . ?
C115 C111 C112 106.3(8) . . ?
C115 C111 Fe3 70.3(5) . . ?
C112 C111 Fe3 67.2(4) . . ?
C115 C111 H111 126.8 . . ?
C112 C111 H111 126.8 . . ?
Fe3 C111 H111 127.3 . . ?
C113 C112 C111 108.9(8) . . ?
C113 C112 Fe3 72.3(5) . . ?
C111 C112 Fe3 70.3(4) . . ?
C113 C112 H112 125.6 . . ?
C111 C112 H112 125.6 . . ?
Fe3 C112 H112 123.4 . . ?
C112 C113 C114 108.8(8) . . ?
C112 C113 C116 128.3(8) . . ?
C114 C113 C116 122.9(8) . . ?
C112 C113 Fe3 68.3(5) . . ?
C114 C113 Fe3 69.8(5) . . ?
C116 C113 Fe3 127.9(7) . . ?
C113 C114 C115 107.7(8) . . ?
C113 C114 Fe3 70.6(5) . . ?
C115 C114 Fe3 69.1(5) . . ?
C113 C114 H114 126.2 . . ?
C115 C114 H114 126.2 . . ?
Fe3 C114 H114 125.7 . . ?
C111 C115 C114 108.2(7) . . ?
C111 C115 Fe3 70.5(5) . . ?
C114 C115 Fe3 69.1(5) . . ?
C111 C115 H115 125.9 . . ?
C114 C115 H115 125.9 . . ?
Fe3 C115 H115 126.1 . . ?
N11 C116 C117 120.2(9) . . ?
N11 C116 C113 117.0(8) . . ?
C117 C116 C113 122.4(9) . . ?
C118 C117 C116 119.3(9) . . ?
C118 C117 H117 120.3 . . ?
C116 C117 H117 120.3 . . ?
C119 C118 C117 117.4(10) . . ?
C119 C118 H118 121.3 . . ?
C117 C118 H118 121.3 . . ?
C118 C119 C120 125.2(10) . . ?
C118 C119 H119 117.4 . . ?
C120 C119 H119 117.4 . . ?
C119 C120 N11 122.0(9) . . ?
C119 C120 C121 125.4(8) . . ?
N11 C120 C121 111.9(8) . . ?
N12 C121 C122 121.5(8) . . ?
N12 C121 C120 116.3(7) . . ?
C122 C121 C120 122.1(7) . . ?
C121 C122 C123 118.9(8) . . ?
C121 C122 H122 120.5 . . ?
C123 C122 H122 120.5 . . ?
C124 C123 C122 119.5(7) . . ?
C124 C123 H123 120.2 . . ?
C122 C123 H123 120.2 . . ?
C123 C124 C125 117.8(7) . . ?
C123 C124 C129 125.5(7) . . ?
C125 C124 C129 116.7(7) . . ?
N12 C125 C124 122.5(7) . . ?
N12 C125 C126 120.2(7) . . ?
C124 C125 C126 117.2(7) . . ?
C125 C126 C127 111.9(7) . . ?
C125 C126 H126 109.2 . . ?
C127 C126 H126 109.2 . . ?
C125 C126 H126 109.2 . . ?
C127 C126 H126 109.2 . . ?
H126 C126 H126 107.9 . . ?
C126 C127 C130 111.5(7) . . ?
C126 C127 C128 106.3(6) . . ?
C130 C127 C128 87.3(6) . . ?
C126 C127 H127 116.2 . . ?
C130 C127 H127 116.2 . . ?
C128 C127 H127 115.6 . . ?
C129 C128 C127 83.7(6) . . ?
C129 C128 H128 114.7 . . ?
C127 C128 H128 114.7 . . ?
C129 C128 H128 114.7 . . ?
C127 C128 H128 114.7 . . ?
H128 C128 H128 111.8 . . ?
C124 C129 C130 111.6(6) . . ?
C124 C129 C128 105.5(6) . . ?
C130 C129 C128 89.1(6) . . ?
C124 C129 H129 115.9 . . ?
C130 C129 H129 115.9 . . ?
C128 C129 H129 115.5 . . ?
C129 C130 C132 117.8(7) . . ?
C129 C130 C131 112.4(6) . . ?
C132 C130 C131 107.8(6) . . ?
C129 C130 C127 86.8(6) . . ?
C132 C130 C127 119.4(6) . . ?
C131 C130 C127 111.5(7) . . ?
C130 C131 H131 109.5 . . ?
C130 C131 H131 109.5 . . ?
H131 C131 H131 109.5 . . ?
C130 C131 H131 109.5 . . ?
H131 C131 H131 109.5 . . ?
H131 C131 H131 109.5 . . ?
C130 C132 H132 109.5 . . ?
C130 C132 H132 109.5 . . ?
H132 C132 H132 109.5 . . ?
C130 C132 H132 109.5 . . ?
H132 C132 H132 109.5 . . ?
H132 C132 H132 109.5 . . ?
F4 P1 F5 90.9(4) . . ?
F4 P1 F3 91.4(4) . . ?
F5 P1 F3 177.7(4) . . ?
F4 P1 F1 90.1(4) . . ?
F5 P1 F1 90.1(3) . . ?
F3 P1 F1 89.3(4) . . ?
F4 P1 F6 179.5(4) . . ?
F5 P1 F6 89.6(3) . . ?
F3 P1 F6 88.2(4) . . ?
F1 P1 F6 90.1(3) . . ?
F4 P1 F2 89.4(4) . . ?
F5 P1 F2 89.9(4) . . ?
F3 P1 F2 90.7(4) . . ?
F1 P1 F2 179.4(4) . . ?
F6 P1 F2 90.5(3) . . ?
F23 P2 F22 92.0(6) . . ?
F23 P2 F26 172.8(6) . . ?
F22 P2 F26 94.2(6) . . ?
F23 P2 F24 87.5(5) . . ?
F22 P2 F24 91.1(7) . . ?
F26 P2 F24 88.7(4) . . ?
F23 P2 F25 92.7(5) . . ?
F22 P2 F25 87.0(7) . . ?
F26 P2 F25 91.4(4) . . ?
F24 P2 F25 178.1(5) . . ?
F23 P2 F21 89.0(5) . . ?
F22 P2 F21 178.2(7) . . ?
F26 P2 F21 84.9(4) . . ?
F24 P2 F21 90.4(5) . . ?
F25 P2 F21 91.5(5) . . ?
F31 P3 F31 179.3(4) . 2_655 ?
F31 P3 F32 89.7(3) . 2_655 ?
F31 P3 F32 89.8(3) 2_655 2_655 ?
F31 P3 F32 89.8(3) . . ?
F31 P3 F32 89.7(3) 2_655 . ?
F32 P3 F32 89.6(3) 2_655 . ?
F31 P3 F33 92.1(3) . 2_655 ?
F31 P3 F33 88.4(3) 2_655 2_655 ?
F32 P3 F33 90.6(2) 2_655 2_655 ?
F32 P3 F33 178.1(3) . 2_655 ?
F31 P3 F33 88.4(3) . . ?
F31 P3 F33 92.1(3) 2_655 . ?
F32 P3 F33 178.1(3) 2_655 . ?
F32 P3 F33 90.6(2) . . ?
F33 P3 F33 89.3(4) 2_655 . ?
F43 P4 F44 91.2 . . ?
F43 P4 F45 177.5 . . ?
F44 P4 F45 91.3 . . ?
F43 P4 F41 90.0 . . ?
F44 P4 F41 90.7 . . ?
F45 P4 F41 90.2 . . ?
F43 P4 F46 88.0 . . ?
F44 P4 F46 178.9 . . ?
F45 P4 F46 89.6 . . ?
F41 P4 F46 90.0 . . ?
F43 P4 F42 89.5 . . ?
F44 P4 F42 88.8 . . ?
F45 P4 F42 90.2 . . ?
F41 P4 F42 179.34(6) . . ?
F46 P4 F42 90.4 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 N2 1.963(6) . ?
Cu1 N4 2.027(6) . ?
Cu1 N3 2.059(6) . ?
Cu1 N1 2.089(6) . ?
Cu2 N6 1.962(6) . ?
Cu2 N8 1.985(5) . ?
Cu2 N5 2.020(6) . ?
Cu2 N7 2.072(7) . ?
Cu3 N12 1.976(6) 2_755 ?
Cu3 N9 2.014(6) . ?
Cu3 N10 2.071(6) . ?
Cu3 N11 2.084(6) 2_755 ?
Fe1 C47 2.009(8) . ?
Fe1 C46 2.021(9) . ?
Fe1 C45 2.024(8) . ?
Fe1 C49 2.026(7) . ?
Fe1 C5 2.031(9) . ?
Fe1 C4 2.037(8) . ?
Fe1 C2 2.040(7) . ?
Fe1 C1 2.088(8) . ?
Fe1 C3 2.098(9) . ?
Fe1 C48 2.129(8) . ?
Fe2 C70 2.024(9) . ?
Fe2 C71 2.036(8) . ?
Fe2 C69 2.040(9) . ?
Fe2 C25 2.048(9) . ?
Fe2 C24 2.051(9) . ?
Fe2 C26 2.069(9) . ?
Fe2 C67 2.071(8) . ?
Fe2 C23 2.076(8) . ?
Fe2 C68 2.080(9) . ?
Fe2 C27 2.087(8) . ?
Fe3 C91 1.989(9) . ?
Fe3 C92 2.013(9) . ?
Fe3 C112 2.027(8) . ?
Fe3 C90 2.042(8) . ?
Fe3 C93 2.048(8) . ?
Fe3 C115 2.067(8) . ?
Fe3 C114 2.068(9) . ?
Fe3 C111 2.070(9) . ?
Fe3 C89 2.070(8) . ?
Fe3 C113 2.079(9) . ?
N1 C6 1.317(9) . ?
N1 C10 1.402(10) . ?
N2 C15 1.354(9) . ?
N2 C11 1.398(9) . ?
N3 C28 1.350(9) . ?
N3 C32 1.353(10) . ?
N4 C33 1.313(9) . ?
N4 C37 1.403(10) . ?
N5 C50 1.387(11) . ?
N5 C54 1.398(11) . ?
N6 C59 1.341(12) . ?
N6 C55 1.374(11) . ?
N7 C72 1.341(9) . ?
N7 C76 1.343(9) . ?
N8 C81 1.293(10) . ?
N8 C77 1.381(9) . ?
N9 C103 1.330(9) . ?
N9 C99 1.341(9) . ?
N10 C98 1.331(9) . ?
N10 C94 1.409(10) . ?
N11 C116 1.350(10) . ?
N11 C120 1.379(9) . ?
N11 Cu3 2.084(6) 2_755 ?
N12 C121 1.354(9) . ?
N12 C125 1.366(10) . ?
N12 Cu3 1.976(6) 2_755 ?
C1 C2 1.430(11) . ?
C1 C6 1.454(11) . ?
C1 C5 1.498(10) . ?
C2 C3 1.442(11) . ?
C2 H2A 0.9500 . ?
C3 C4 1.488(14) . ?
C3 H3A 0.9500 . ?
C4 C5 1.407(13) . ?
C4 H4A 0.9500 . ?
C5 H5A 0.9500 . ?
C6 C7 1.361(10) . ?
C7 C8 1.303(11) . ?
C7 H7A 0.9500 . ?
C8 C9 1.402(11) . ?
C8 H8A 0.9500 . ?
C9 C10 1.368(10) . ?
C9 H9A 0.9500 . ?
C10 C11 1.426(10) . ?
C11 C12 1.371(10) . ?
C12 C13 1.448(11) . ?
C12 H12A 0.9500 . ?
C13 C14 1.327(11) . ?
C13 H13A 0.9500 . ?
C14 C15 1.409(12) . ?
C14 C19 1.516(11) . ?
C15 C16 1.505(11) . ?
C16 C17 1.484(11) . ?
C16 H16B 0.9900 . ?
C16 H16A 0.9900 . ?
C17 C18 1.508(14) . ?
C17 C20 1.642(13) . ?
C17 H17A 1.0000 . ?
C18 C19 1.612(13) . ?
C18 H18B 0.9900 . ?
C18 H18A 0.9900 . ?
C19 C20 1.634(13) . ?
C19 H19A 1.0000 . ?
C20 C21 1.477(12) . ?
C20 C22 1.503(11) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C28 1.445(11) . ?
C23 C24 1.473(10) . ?
C23 C27 1.479(10) . ?
C24 C25 1.421(11) . ?
C24 H24A 0.9500 . ?
C25 C26 1.483(11) . ?
C25 H25A 0.9500 . ?
C26 C27 1.394(10) . ?
C26 H26A 0.9500 . ?
C27 H27A 0.9500 . ?
C28 C29 1.441(11) . ?
C29 C30 1.316(11) . ?
C29 H29A 0.9500 . ?
C30 C31 1.366(12) . ?
C30 H30A 0.9500 . ?
C31 C32 1.383(11) . ?
C31 H31A 0.9500 . ?
C32 C33 1.480(11) . ?
C33 C34 1.441(10) . ?
C34 C35 1.298(11) . ?
C34 H34A 0.9500 . ?
C35 C36 1.372(11) . ?
C35 H35A 0.9500 . ?
C36 C37 1.381(11) . ?
C36 C41 1.478(11) . ?
C37 C38 1.501(11) . ?
C38 C39 1.584(11) . ?
C38 H38B 0.9900 . ?
C38 H38A 0.9900 . ?
C39 C40 1.535(12) . ?
C39 C42 1.603(14) . ?
C39 H39A 1.0000 . ?
C40 C41 1.553(12) . ?
C40 H40B 0.9900 . ?
C40 H40A 0.9900 . ?
C41 C42 1.611(13) . ?
C41 H41A 1.0000 . ?
C42 C44 1.502(13) . ?
C42 C43 1.594(16) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.409(10) . ?
C45 C49 1.432(10) . ?
C45 C50 1.482(12) . ?
C46 C47 1.419(12) . ?
C46 H46A 0.9500 . ?
C47 C48 1.480(10) . ?
C47 H47A 0.9500 . ?
C48 C49 1.371(10) . ?
C48 H48A 0.9500 . ?
C49 H49A 0.9500 . ?
C50 C51 1.428(11) . ?
C51 C52 1.367(15) . ?
C51 H51A 0.9500 . ?
C52 C53 1.430(16) . ?
C52 H52A 0.9500 . ?
C53 C54 1.421(13) . ?
C53 H53A 0.9500 . ?
C54 C55 1.430(13) . ?
C55 C56 1.383(13) . ?
C56 C57 1.361(14) . ?
C56 H56A 0.9500 . ?
C57 C58 1.330(14) . ?
C57 H57A 0.9500 . ?
C58 C59 1.432(12) . ?
C58 C63 1.535(16) . ?
C59 C60 1.486(12) . ?
C60 C61 1.516(11) . ?
C60 H60B 0.9900 . ?
C60 H60A 0.9900 . ?
C61 C64 1.565(13) . ?
C61 C62 1.593(15) . ?
C61 H61A 1.0000 . ?
C62 C63 1.618(16) . ?
C62 H62B 0.9900 . ?
C62 H62A 0.9900 . ?
C63 C64 1.574(14) . ?
C63 H63A 1.0000 . ?
C64 C65 1.509(15) . ?
C64 C66 1.545(14) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 C71 1.439(10) . ?
C67 C72 1.478(10) . ?
C67 C68 1.499(11) . ?
C68 C69 1.375(10) . ?
C68 H68A 0.9500 . ?
C69 C70 1.401(12) . ?
C69 H69A 0.9500 . ?
C70 C71 1.446(12) . ?
C70 H70A 0.9500 . ?
C71 H71A 0.9500 . ?
C72 C73 1.388(10) . ?
C73 C74 1.377(11) . ?
C73 H73A 0.9500 . ?
C74 C75 1.395(11) . ?
C74 H74A 0.9500 . ?
C75 C76 1.406(9) . ?
C75 H75A 0.9500 . ?
C76 C77 1.458(9) . ?
C77 C78 1.364(10) . ?
C78 C79 1.380(11) . ?
C78 H78A 0.9500 . ?
C79 C80 1.428(11) . ?
C79 H79A 0.9500 . ?
C80 C81 1.395(11) . ?
C80 C85 1.500(11) . ?
C81 C82 1.503(10) . ?
C82 C83 1.556(10) . ?
C82 H82B 0.9900 . ?
C82 H82A 0.9900 . ?
C83 C84 1.556(11) . ?
C83 C86 1.590(10) . ?
C83 H83A 1.0000 . ?
C84 C85 1.599(11) . ?
C84 H84B 0.9900 . ?
C84 H84A 0.9900 . ?
C85 C86 1.544(11) . ?
C85 H85A 1.0000 . ?
C86 C88 1.516(10) . ?
C86 C87 1.548(12) . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C89 C90 1.432(10) . ?
C89 C94 1.436(11) . ?
C89 C93 1.455(10) . ?
C90 C91 1.411(10) . ?
C90 H90A 0.9500 . ?
C91 C92 1.428(11) . ?
C91 H91A 0.9500 . ?
C92 C93 1.417(12) . ?
C92 H92A 0.9500 . ?
C93 H93A 0.9500 . ?
C94 C95 1.339(12) . ?
C95 C96 1.335(14) . ?
C95 H95A 0.9500 . ?
C96 C97 1.303(14) . ?
C96 H96A 0.9500 . ?
C97 C98 1.395(11) . ?
C97 H97A 0.9500 . ?
C98 C99 1.447(11) . ?
C99 C100 1.416(11) . ?
C100 C101 1.389(11) . ?
C100 H100 0.9500 . ?
C101 C102 1.415(11) . ?
C101 H101 0.9500 . ?
C102 C103 1.355(10) . ?
C102 C108 1.544(12) . ?
C103 C104 1.561(10) . ?
C104 C105 1.517(11) . ?
C104 H104 0.9900 . ?
C104 H104 0.9900 . ?
C105 C106 1.539(11) . ?
C105 C107 1.576(12) . ?
C105 H105 1.0000 . ?
C106 C109 1.444(12) . ?
C106 C108 1.585(12) . ?
C106 C110 1.614(13) . ?
C107 C108 1.441(11) . ?
C107 H107 0.9900 . ?
C107 H107 0.9900 . ?
C108 H108 1.0000 . ?
C109 H109 0.9800 . ?
C109 H109 0.9800 . ?
C109 H109 0.9800 . ?
C110 H110 0.9800 . ?
C110 H110 0.9800 . ?
C110 H110 0.9800 . ?
C111 C115 1.388(11) . ?
C111 C112 1.487(10) . ?
C111 H111 0.9500 . ?
C112 C113 1.385(11) . ?
C112 H112 0.9500 . ?
C113 C114 1.405(12) . ?
C113 C116 1.422(12) . ?
C114 C115 1.476(12) . ?
C114 H114 0.9500 . ?
C115 H115 0.9500 . ?
C116 C117 1.402(13) . ?
C117 C118 1.401(14) . ?
C117 H117 0.9500 . ?
C118 C119 1.239(12) . ?
C118 H118 0.9500 . ?
C119 C120 1.317(11) . ?
C119 H119 0.9500 . ?
C120 C121 1.519(12) . ?
C121 C122 1.373(10) . ?
C122 C123 1.443(11) . ?
C122 H122 0.9500 . ?
C123 C124 1.381(11) . ?
C123 H123 0.9500 . ?
C124 C125 1.400(10) . ?
C124 C129 1.478(10) . ?
C125 C126 1.503(10) . ?
C126 C127 1.514(10) . ?
C126 H126 0.9900 . ?
C126 H126 0.9900 . ?
C127 C130 1.560(11) . ?
C127 C128 1.581(10) . ?
C127 H127 1.0000 . ?
C128 C129 1.580(11) . ?
C128 H128 0.9900 . ?
C128 H128 0.9900 . ?
C129 C130 1.509(10) . ?
C129 H129 1.0000 . ?
C130 C132 1.534(11) . ?
C130 C131 1.552(9) . ?
C131 H131 0.9800 . ?
C131 H131 0.9800 . ?
C131 H131 0.9800 . ?
C132 H132 0.9800 . ?
C132 H132 0.9800 . ?
C132 H132 0.9800 . ?
P1 F4 1.578(6) . ?
P1 F5 1.581(6) . ?
P1 F3 1.581(7) . ?
P1 F1 1.585(6) . ?
P1 F6 1.610(5) . ?
P1 F2 1.622(6) . ?
P2 F23 1.534(6) . ?
P2 F22 1.536(10) . ?
P2 F26 1.548(6) . ?
P2 F24 1.579(8) . ?
P2 F25 1.592(9) . ?
P2 F21 1.618(7) . ?
P3 F31 1.578(5) . ?
P3 F31 1.578(5) 2_655 ?
P3 F32 1.595(5) 2_655 ?
P3 F32 1.595(5) . ?
P3 F33 1.601(5) 2_655 ?
P3 F33 1.601(5) . ?
P4 F43 1.5644 . ?
P4 F44 1.5673 . ?
P4 F45 1.5762 . ?
P4 F41 1.5780 . ?
P4 F46 1.6136 . ?
P4 F42 1.6188 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Cu1 N1 C6 167.6(7) . . . . ?
N4 Cu1 N1 C6 39.1(8) . . . . ?
N3 Cu1 N1 C6 -62.6(8) . . . . ?
N2 Cu1 N1 C10 12.2(5) . . . . ?
N4 Cu1 N1 C10 -116.3(5) . . . . ?
N3 Cu1 N1 C10 142.0(5) . . . . ?
N4 Cu1 N2 C15 -71.2(7) . . . . ?
N3 Cu1 N2 C15 35.9(8) . . . . ?
N1 Cu1 N2 C15 176.4(7) . . . . ?
N4 Cu1 N2 C11 109.2(5) . . . . ?
N3 Cu1 N2 C11 -143.7(5) . . . . ?
N1 Cu1 N2 C11 -3.3(5) . . . . ?
N2 Cu1 N3 C28 47.4(8) . . . . ?
N4 Cu1 N3 C28 178.4(8) . . . . ?
N1 Cu1 N3 C28 -67.7(8) . . . . ?
N2 Cu1 N3 C32 -130.4(6) . . . . ?
N4 Cu1 N3 C32 0.5(6) . . . . ?
N1 Cu1 N3 C32 114.4(6) . . . . ?
N2 Cu1 N4 C33 127.7(6) . . . . ?
N3 Cu1 N4 C33 2.0(6) . . . . ?
N1 Cu1 N4 C33 -134.5(6) . . . . ?
N2 Cu1 N4 C37 -51.7(8) . . . . ?
N3 Cu1 N4 C37 -177.5(8) . . . . ?
N1 Cu1 N4 C37 46.1(8) . . . . ?
N6 Cu2 N5 C50 173.8(8) . . . . ?
N8 Cu2 N5 C50 38.9(9) . . . . ?
N7 Cu2 N5 C50 -75.8(9) . . . . ?
N6 Cu2 N5 C54 1.7(7) . . . . ?
N8 Cu2 N5 C54 -133.2(7) . . . . ?
N7 Cu2 N5 C54 112.1(7) . . . . ?
N8 Cu2 N6 C59 -49.4(9) . . . . ?
N5 Cu2 N6 C59 -179.1(9) . . . . ?
N7 Cu2 N6 C59 47.4(9) . . . . ?
N8 Cu2 N6 C55 133.0(7) . . . . ?
N5 Cu2 N6 C55 3.3(7) . . . . ?
N7 Cu2 N6 C55 -130.2(7) . . . . ?
N6 Cu2 N7 C72 39.2(7) . . . . ?
N8 Cu2 N7 C72 169.9(7) . . . . ?
N5 Cu2 N7 C72 -59.1(8) . . . . ?
N6 Cu2 N7 C76 -118.0(5) . . . . ?
N8 Cu2 N7 C76 12.7(5) . . . . ?
N5 Cu2 N7 C76 143.7(5) . . . . ?
N6 Cu2 N8 C81 -74.6(7) . . . . ?
N5 Cu2 N8 C81 37.4(8) . . . . ?
N7 Cu2 N8 C81 175.6(7) . . . . ?
N6 Cu2 N8 C77 106.1(6) . . . . ?
N5 Cu2 N8 C77 -142.0(5) . . . . ?
N7 Cu2 N8 C77 -3.7(5) . . . . ?
N12 Cu3 N9 C103 -57.1(7) 2_755 . . . ?
N10 Cu3 N9 C103 -179.3(7) . . . . ?
N11 Cu3 N9 C103 50.0(7) 2_755 . . . ?
N12 Cu3 N9 C99 122.7(5) 2_755 . . . ?
N10 Cu3 N9 C99 0.5(5) . . . . ?
N11 Cu3 N9 C99 -130.2(5) 2_755 . . . ?
N12 Cu3 N10 C98 -133.4(6) 2_755 . . . ?
N9 Cu3 N10 C98 -1.6(6) . . . . ?
N11 Cu3 N10 C98 121.3(6) 2_755 . . . ?
N12 Cu3 N10 C94 44.9(8) 2_755 . . . ?
N9 Cu3 N10 C94 176.7(7) . . . . ?
N11 Cu3 N10 C94 -60.4(8) 2_755 . . . ?
C47 Fe1 C1 C2 165.9(4) . . . . ?
C46 Fe1 C1 C2 -162.7(9) . . . . ?
C45 Fe1 C1 C2 51.2(10) . . . . ?
C49 Fe1 C1 C2 83.3(5) . . . . ?
C5 Fe1 C1 C2 -118.8(7) . . . . ?
C4 Fe1 C1 C2 -81.6(6) . . . . ?
C3 Fe1 C1 C2 -36.5(5) . . . . ?
C48 Fe1 C1 C2 122.6(4) . . . . ?
C47 Fe1 C1 C6 43.3(8) . . . . ?
C46 Fe1 C1 C6 74.6(12) . . . . ?
C45 Fe1 C1 C6 -71.4(11) . . . . ?
C49 Fe1 C1 C6 -39.3(8) . . . . ?
C5 Fe1 C1 C6 118.6(9) . . . . ?
C4 Fe1 C1 C6 155.8(8) . . . . ?
C2 Fe1 C1 C6 -122.6(8) . . . . ?
C3 Fe1 C1 C6 -159.1(7) . . . . ?
C48 Fe1 C1 C6 0.0(7) . . . . ?
C47 Fe1 C1 C5 -75.3(6) . . . . ?
C46 Fe1 C1 C5 -43.9(12) . . . . ?
C45 Fe1 C1 C5 170.0(8) . . . . ?
C49 Fe1 C1 C5 -157.9(5) . . . . ?
C4 Fe1 C1 C5 37.2(6) . . . . ?
C2 Fe1 C1 C5 118.8(7) . . . . ?
C3 Fe1 C1 C5 82.3(5) . . . . ?
C48 Fe1 C1 C5 -118.6(5) . . . . ?
C6 C1 C2 C3 179.9(8) . . . . ?
C5 C1 C2 C3 4.3(9) . . . . ?
Fe1 C1 C2 C3 60.7(6) . . . . ?
C6 C1 C2 Fe1 119.1(8) . . . . ?
C5 C1 C2 Fe1 -56.4(5) . . . . ?
C47 Fe1 C2 C1 -36.2(11) . . . . ?
C46 Fe1 C2 C1 163.0(8) . . . . ?
C45 Fe1 C2 C1 -159.7(4) . . . . ?
C49 Fe1 C2 C1 -115.9(5) . . . . ?
C5 Fe1 C2 C1 39.3(5) . . . . ?
C4 Fe1 C2 C1 82.6(6) . . . . ?
C3 Fe1 C2 C1 121.6(7) . . . . ?
C48 Fe1 C2 C1 -75.8(6) . . . . ?
C47 Fe1 C2 C3 -157.7(9) . . . . ?
C46 Fe1 C2 C3 41.4(12) . . . . ?
C45 Fe1 C2 C3 78.7(6) . . . . ?
C49 Fe1 C2 C3 122.5(6) . . . . ?
C5 Fe1 C2 C3 -82.3(6) . . . . ?
C4 Fe1 C2 C3 -39.0(6) . . . . ?
C1 Fe1 C2 C3 -121.6(7) . . . . ?
C48 Fe1 C2 C3 162.6(5) . . . . ?
C1 C2 C3 C4 -4.1(9) . . . . ?
Fe1 C2 C3 C4 56.5(6) . . . . ?
C1 C2 C3 Fe1 -60.6(6) . . . . ?
C47 Fe1 C3 C2 159.9(9) . . . . ?
C46 Fe1 C3 C2 -163.6(5) . . . . ?
C45 Fe1 C3 C2 -120.8(5) . . . . ?
C49 Fe1 C3 C2 -78.0(6) . . . . ?
C5 Fe1 C3 C2 81.9(5) . . . . ?
C4 Fe1 C3 C2 118.7(8) . . . . ?
C1 Fe1 C3 C2 36.3(5) . . . . ?
C48 Fe1 C3 C2 -46.3(13) . . . . ?
C47 Fe1 C3 C4 41.3(13) . . . . ?
C46 Fe1 C3 C4 77.7(7) . . . . ?
C45 Fe1 C3 C4 120.5(6) . . . . ?
C49 Fe1 C3 C4 163.3(6) . . . . ?
C5 Fe1 C3 C4 -36.7(5) . . . . ?
C2 Fe1 C3 C4 -118.7(8) . . . . ?
C1 Fe1 C3 C4 -82.4(6) . . . . ?
C48 Fe1 C3 C4 -165.0(10) . . . . ?
C2 C3 C4 C5 2.3(10) . . . . ?
Fe1 C3 C4 C5 59.2(7) . . . . ?
C2 C3 C4 Fe1 -56.9(6) . . . . ?
C47 Fe1 C4 C5 76.9(6) . . . . ?
C46 Fe1 C4 C5 119.4(6) . . . . ?
C45 Fe1 C4 C5 160.0(5) . . . . ?
C49 Fe1 C4 C5 -171.3(10) . . . . ?
C2 Fe1 C4 C5 -82.4(6) . . . . ?
C1 Fe1 C4 C5 -39.1(5) . . . . ?
C3 Fe1 C4 C5 -120.2(8) . . . . ?
C48 Fe1 C4 C5 46.8(12) . . . . ?
C47 Fe1 C4 C3 -162.9(6) . . . . ?
C46 Fe1 C4 C3 -120.5(6) . . . . ?
C45 Fe1 C4 C3 -79.8(6) . . . . ?
C49 Fe1 C4 C3 -51.1(14) . . . . ?
C5 Fe1 C4 C3 120.2(8) . . . . ?
C2 Fe1 C4 C3 37.7(5) . . . . ?
C1 Fe1 C4 C3 81.1(6) . . . . ?
C48 Fe1 C4 C3 166.9(8) . . . . ?
C3 C4 C5 C1 0.3(10) . . . . ?
Fe1 C4 C5 C1 60.4(6) . . . . ?
C3 C4 C5 Fe1 -60.2(6) . . . . ?
C2 C1 C5 C4 -2.7(9) . . . . ?
C6 C1 C5 C4 -178.5(8) . . . . ?
Fe1 C1 C5 C4 -60.0(6) . . . . ?
C2 C1 C5 Fe1 57.3(5) . . . . ?
C6 C1 C5 Fe1 -118.5(8) . . . . ?
C47 Fe1 C5 C4 -118.8(6) . . . . ?
C46 Fe1 C5 C4 -77.7(7) . . . . ?
C45 Fe1 C5 C4 -50.8(12) . . . . ?
C49 Fe1 C5 C4 173.4(8) . . . . ?
C2 Fe1 C5 C4 81.8(6) . . . . ?
C1 Fe1 C5 C4 119.2(8) . . . . ?
C3 Fe1 C5 C4 38.2(6) . . . . ?
C48 Fe1 C5 C4 -160.3(6) . . . . ?
C47 Fe1 C5 C1 122.1(5) . . . . ?
C46 Fe1 C5 C1 163.2(5) . . . . ?
C45 Fe1 C5 C1 -169.9(8) . . . . ?
C49 Fe1 C5 C1 54.3(10) . . . . ?
C4 Fe1 C5 C1 -119.2(8) . . . . ?
C2 Fe1 C5 C1 -37.4(4) . . . . ?
C3 Fe1 C5 C1 -81.0(5) . . . . ?
C48 Fe1 C5 C1 80.6(5) . . . . ?
C10 N1 C6 C7 3.9(11) . . . . ?
Cu1 N1 C6 C7 -149.8(7) . . . . ?
C10 N1 C6 C1 178.3(7) . . . . ?
Cu1 N1 C6 C1 24.6(10) . . . . ?
C2 C1 C6 N1 38.7(12) . . . . ?
C5 C1 C6 N1 -146.6(8) . . . . ?
Fe1 C1 C6 N1 127.9(6) . . . . ?
C2 C1 C6 C7 -146.8(9) . . . . ?
C5 C1 C6 C7 27.9(13) . . . . ?
Fe1 C1 C6 C7 -57.6(10) . . . . ?
N1 C6 C7 C8 -7.5(14) . . . . ?
C1 C6 C7 C8 178.5(9) . . . . ?
C6 C7 C8 C9 5.1(15) . . . . ?
C7 C8 C9 C10 0.4(15) . . . . ?
C8 C9 C10 N1 -3.8(13) . . . . ?
C8 C9 C10 C11 175.8(8) . . . . ?
C6 N1 C10 C9 1.8(11) . . . . ?
Cu1 N1 C10 C9 160.3(7) . . . . ?
C6 N1 C10 C11 -177.9(7) . . . . ?
Cu1 N1 C10 C11 -19.3(8) . . . . ?
C15 N2 C11 C12 -3.4(11) . . . . ?
Cu1 N2 C11 C12 176.3(6) . . . . ?
C15 N2 C11 C10 173.8(7) . . . . ?
Cu1 N2 C11 C10 -6.5(8) . . . . ?
C9 C10 C11 C12 15.4(13) . . . . ?
N1 C10 C11 C12 -165.0(8) . . . . ?
C9 C10 C11 N2 -161.9(8) . . . . ?
N1 C10 C11 N2 17.8(10) . . . . ?
N2 C11 C12 C13 3.3(12) . . . . ?
C10 C11 C12 C13 -173.8(7) . . . . ?
C11 C12 C13 C14 0.9(13) . . . . ?
C12 C13 C14 C15 -4.7(13) . . . . ?
C12 C13 C14 C19 -179.5(8) . . . . ?
C11 N2 C15 C14 -0.6(12) . . . . ?
Cu1 N2 C15 C14 179.8(6) . . . . ?
C11 N2 C15 C16 178.6(7) . . . . ?
Cu1 N2 C15 C16 -1.0(11) . . . . ?
C13 C14 C15 N2 4.7(13) . . . . ?
C19 C14 C15 N2 179.8(7) . . . . ?
C13 C14 C15 C16 -174.5(8) . . . . ?
C19 C14 C15 C16 0.7(12) . . . . ?
N2 C15 C16 C17 179.5(7) . . . . ?
C14 C15 C16 C17 -1.2(11) . . . . ?
C15 C16 C17 C18 -45.5(10) . . . . ?
C15 C16 C17 C20 47.9(10) . . . . ?
C16 C17 C18 C19 83.1(8) . . . . ?
C20 C17 C18 C19 -27.5(6) . . . . ?
C13 C14 C19 C18 -143.2(9) . . . . ?
C15 C14 C19 C18 41.9(11) . . . . ?
C13 C14 C19 C20 128.9(10) . . . . ?
C15 C14 C19 C20 -46.0(10) . . . . ?
C17 C18 C19 C14 -79.4(8) . . . . ?
C17 C18 C19 C20 27.8(6) . . . . ?
C14 C19 C20 C21 -40.7(11) . . . . ?
C18 C19 C20 C21 -143.7(9) . . . . ?
C14 C19 C20 C22 -169.0(8) . . . . ?
C18 C19 C20 C22 87.9(8) . . . . ?
C14 C19 C20 C17 77.7(8) . . . . ?
C18 C19 C20 C17 -25.4(6) . . . . ?
C16 C17 C20 C21 38.5(12) . . . . ?
C18 C17 C20 C21 146.9(9) . . . . ?
C16 C17 C20 C22 168.5(9) . . . . ?
C18 C17 C20 C22 -83.1(9) . . . . ?
C16 C17 C20 C19 -81.2(9) . . . . ?
C18 C17 C20 C19 27.1(6) . . . . ?
C70 Fe2 C23 C28 41.5(7) . . . . ?
C71 Fe2 C23 C28 72.7(12) . . . . ?
C69 Fe2 C23 C28 -1.3(7) . . . . ?
C25 Fe2 C23 C28 154.0(7) . . . . ?
C24 Fe2 C23 C28 115.4(8) . . . . ?
C26 Fe2 C23 C28 -160.4(7) . . . . ?
C67 Fe2 C23 C28 -75.8(10) . . . . ?
C68 Fe2 C23 C28 -42.6(7) . . . . ?
C27 Fe2 C23 C28 -125.0(8) . . . . ?
C70 Fe2 C23 C24 -73.9(6) . . . . ?
C71 Fe2 C23 C24 -42.6(12) . . . . ?
C69 Fe2 C23 C24 -116.7(5) . . . . ?
C25 Fe2 C23 C24 38.6(5) . . . . ?
C26 Fe2 C23 C24 84.2(5) . . . . ?
C67 Fe2 C23 C24 168.8(8) . . . . ?
C68 Fe2 C23 C24 -158.0(5) . . . . ?
C27 Fe2 C23 C24 119.6(7) . . . . ?
C70 Fe2 C23 C27 166.5(5) . . . . ?
C71 Fe2 C23 C27 -162.2(9) . . . . ?
C69 Fe2 C23 C27 123.7(5) . . . . ?
C25 Fe2 C23 C27 -81.0(5) . . . . ?
C24 Fe2 C23 C27 -119.6(7) . . . . ?
C26 Fe2 C23 C27 -35.4(4) . . . . ?
C67 Fe2 C23 C27 49.2(10) . . . . ?
C68 Fe2 C23 C27 82.4(5) . . . . ?
C28 C23 C24 C25 -176.9(8) . . . . ?
C27 C23 C24 C25 -1.9(10) . . . . ?
Fe2 C23 C24 C25 -60.6(6) . . . . ?
C28 C23 C24 Fe2 -116.3(8) . . . . ?
C27 C23 C24 Fe2 58.7(6) . . . . ?
C70 Fe2 C24 C25 -120.4(6) . . . . ?
C71 Fe2 C24 C25 -79.4(6) . . . . ?
C69 Fe2 C24 C25 -159.8(5) . . . . ?
C26 Fe2 C24 C25 37.3(5) . . . . ?
C67 Fe2 C24 C25 -51.1(12) . . . . ?
C23 Fe2 C24 C25 116.9(7) . . . . ?
C68 Fe2 C24 C25 168.0(8) . . . . ?
C27 Fe2 C24 C25 79.0(5) . . . . ?
C70 Fe2 C24 C23 122.7(5) . . . . ?
C71 Fe2 C24 C23 163.8(5) . . . . ?
C69 Fe2 C24 C23 83.4(6) . . . . ?
C25 Fe2 C24 C23 -116.9(7) . . . . ?
C26 Fe2 C24 C23 -79.6(5) . . . . ?
C67 Fe2 C24 C23 -168.0(8) . . . . ?
C68 Fe2 C24 C23 51.2(10) . . . . ?
C27 Fe2 C24 C23 -37.9(4) . . . . ?
C23 C24 C25 C26 2.7(11) . . . . ?
Fe2 C24 C25 C26 -58.1(7) . . . . ?
C23 C24 C25 Fe2 60.8(6) . . . . ?
C70 Fe2 C25 C24 75.1(6) . . . . ?
C71 Fe2 C25 C24 118.9(5) . . . . ?
C69 Fe2 C25 C24 48.1(12) . . . . ?
C26 Fe2 C25 C24 -121.7(8) . . . . ?
C67 Fe2 C25 C24 160.7(5) . . . . ?
C23 Fe2 C25 C24 -39.8(5) . . . . ?
C68 Fe2 C25 C24 -163.1(11) . . . . ?
C27 Fe2 C25 C24 -84.8(5) . . . . ?
C70 Fe2 C25 C26 -163.2(6) . . . . ?
C71 Fe2 C25 C26 -119.4(5) . . . . ?
C69 Fe2 C25 C26 169.8(9) . . . . ?
C24 Fe2 C25 C26 121.7(8) . . . . ?
C67 Fe2 C25 C26 -77.6(6) . . . . ?
C23 Fe2 C25 C26 81.9(5) . . . . ?
C68 Fe2 C25 C26 -41.4(15) . . . . ?
C27 Fe2 C25 C26 36.9(5) . . . . ?
C24 C25 C26 C27 -2.6(11) . . . . ?
Fe2 C25 C26 C27 -60.7(6) . . . . ?
C24 C25 C26 Fe2 58.2(7) . . . . ?
C70 Fe2 C26 C27 160.0(9) . . . . ?
C71 Fe2 C26 C27 -161.9(5) . . . . ?
C69 Fe2 C26 C27 -49.8(14) . . . . ?
C25 Fe2 C26 C27 118.2(7) . . . . ?
C24 Fe2 C26 C27 82.3(5) . . . . ?
C67 Fe2 C26 C27 -119.3(5) . . . . ?
C23 Fe2 C26 C27 37.6(5) . . . . ?
C68 Fe2 C26 C27 -75.5(6) . . . . ?
C70 Fe2 C26 C25 41.9(13) . . . . ?
C71 Fe2 C26 C25 79.9(6) . . . . ?
C69 Fe2 C26 C25 -168.0(11) . . . . ?
C24 Fe2 C26 C25 -35.9(5) . . . . ?
C67 Fe2 C26 C25 122.5(5) . . . . ?
C23 Fe2 C26 C25 -80.6(5) . . . . ?
C68 Fe2 C26 C25 166.4(5) . . . . ?
C27 Fe2 C26 C25 -118.2(7) . . . . ?
C25 C26 C27 C23 1.3(10) . . . . ?
Fe2 C26 C27 C23 -57.6(6) . . . . ?
C25 C26 C27 Fe2 58.9(6) . . . . ?
C28 C23 C27 C26 174.9(9) . . . . ?
C24 C23 C27 C26 0.3(10) . . . . ?
Fe2 C23 C27 C26 58.1(6) . . . . ?
C28 C23 C27 Fe2 116.7(10) . . . . ?
C24 C23 C27 Fe2 -57.8(6) . . . . ?
C70 Fe2 C27 C26 -157.5(10) . . . . ?
C71 Fe2 C27 C26 42.7(11) . . . . ?
C69 Fe2 C27 C26 161.4(5) . . . . ?
C25 Fe2 C27 C26 -39.7(5) . . . . ?
C24 Fe2 C27 C26 -83.2(5) . . . . ?
C67 Fe2 C27 C26 78.4(6) . . . . ?
C23 Fe2 C27 C26 -121.2(7) . . . . ?
C68 Fe2 C27 C26 122.6(5) . . . . ?
C70 Fe2 C27 C23 -36.3(12) . . . . ?
C71 Fe2 C27 C23 163.9(8) . . . . ?
C69 Fe2 C27 C23 -77.4(6) . . . . ?
C25 Fe2 C27 C23 81.5(5) . . . . ?
C24 Fe2 C27 C23 38.0(4) . . . . ?
C26 Fe2 C27 C23 121.2(7) . . . . ?
C67 Fe2 C27 C23 -160.4(4) . . . . ?
C68 Fe2 C27 C23 -116.2(5) . . . . ?
C32 N3 C28 C29 1.7(13) . . . . ?
Cu1 N3 C28 C29 -176.1(7) . . . . ?
C32 N3 C28 C23 -180.0(8) . . . . ?
Cu1 N3 C28 C23 2.3(12) . . . . ?
C24 C23 C28 N3 -155.0(8) . . . . ?
C27 C23 C28 N3 31.2(14) . . . . ?
Fe2 C23 C28 N3 121.4(7) . . . . ?
C24 C23 C28 C29 23.4(14) . . . . ?
C27 C23 C28 C29 -150.4(9) . . . . ?
Fe2 C23 C28 C29 -60.3(10) . . . . ?
N3 C28 C29 C30 3.1(15) . . . . ?
C23 C28 C29 C30 -175.2(10) . . . . ?
C28 C29 C30 C31 -5.0(18) . . . . ?
C29 C30 C31 C32 2.4(19) . . . . ?
C28 N3 C32 C31 -4.3(14) . . . . ?
Cu1 N3 C32 C31 173.8(8) . . . . ?
C28 N3 C32 C33 179.1(8) . . . . ?
Cu1 N3 C32 C33 -2.7(10) . . . . ?
C30 C31 C32 N3 2.4(17) . . . . ?
C30 C31 C32 C33 178.7(11) . . . . ?
C37 N4 C33 C34 1.1(13) . . . . ?
Cu1 N4 C33 C34 -178.3(7) . . . . ?
C37 N4 C33 C32 175.4(8) . . . . ?
Cu1 N4 C33 C32 -4.0(11) . . . . ?
N3 C32 C33 N4 4.6(13) . . . . ?
C31 C32 C33 N4 -171.9(10) . . . . ?
N3 C32 C33 C34 178.8(9) . . . . ?
C31 C32 C33 C34 2.3(15) . . . . ?
N4 C33 C34 C35 -0.2(14) . . . . ?
C32 C33 C34 C35 -174.2(9) . . . . ?
C33 C34 C35 C36 0.7(15) . . . . ?
C34 C35 C36 C37 -2.1(15) . . . . ?
C34 C35 C36 C41 178.3(10) . . . . ?
C35 C36 C37 N4 2.9(13) . . . . ?
C41 C36 C37 N4 -177.4(8) . . . . ?
C35 C36 C37 C38 -178.2(9) . . . . ?
C41 C36 C37 C38 1.6(13) . . . . ?
C33 N4 C37 C36 -2.6(13) . . . . ?
Cu1 N4 C37 C36 176.8(7) . . . . ?
C33 N4 C37 C38 178.5(8) . . . . ?
Cu1 N4 C37 C38 -2.2(12) . . . . ?
C36 C37 C38 C39 1.7(13) . . . . ?
N4 C37 C38 C39 -179.3(8) . . . . ?
C37 C38 C39 C40 -49.8(11) . . . . ?
C37 C38 C39 C42 44.9(11) . . . . ?
C38 C39 C40 C41 84.4(8) . . . . ?
C42 C39 C40 C41 -28.5(6) . . . . ?
C35 C36 C41 C40 -137.2(10) . . . . ?
C37 C36 C41 C40 43.2(10) . . . . ?
C35 C36 C41 C42 128.1(11) . . . . ?
C37 C36 C41 C42 -51.6(11) . . . . ?
C39 C40 C41 C36 -82.9(7) . . . . ?
C39 C40 C41 C42 28.3(6) . . . . ?
C40 C39 C42 C44 -88.1(9) . . . . ?
C38 C39 C42 C44 165.6(8) . . . . ?
C40 C39 C42 C43 148.7(9) . . . . ?
C38 C39 C42 C43 42.4(11) . . . . ?
C40 C39 C42 C41 27.5(6) . . . . ?
C38 C39 C42 C41 -78.8(8) . . . . ?
C36 C41 C42 C44 -168.5(10) . . . . ?
C40 C41 C42 C44 81.5(11) . . . . ?
C36 C41 C42 C43 -34.0(12) . . . . ?
C40 C41 C42 C43 -143.9(8) . . . . ?
C36 C41 C42 C39 82.7(9) . . . . ?
C40 C41 C42 C39 -27.2(7) . . . . ?
C47 Fe1 C45 C46 38.0(5) . . . . ?
C49 Fe1 C45 C46 118.8(7) . . . . ?
C5 Fe1 C45 C46 -36.5(11) . . . . ?
C4 Fe1 C45 C46 -73.8(7) . . . . ?
C2 Fe1 C45 C46 -160.3(5) . . . . ?
C1 Fe1 C45 C46 162.2(8) . . . . ?
C3 Fe1 C45 C46 -117.9(6) . . . . ?
C48 Fe1 C45 C46 83.1(5) . . . . ?
C47 Fe1 C45 C49 -80.8(5) . . . . ?
C46 Fe1 C45 C49 -118.8(7) . . . . ?
C5 Fe1 C45 C49 -155.3(9) . . . . ?
C4 Fe1 C45 C49 167.4(6) . . . . ?
C2 Fe1 C45 C49 80.9(5) . . . . ?
C1 Fe1 C45 C49 43.3(10) . . . . ?
C3 Fe1 C45 C49 123.3(5) . . . . ?
C48 Fe1 C45 C49 -35.7(4) . . . . ?
C47 Fe1 C45 C50 155.5(8) . . . . ?
C46 Fe1 C45 C50 117.5(9) . . . . ?
C49 Fe1 C45 C50 -123.7(9) . . . . ?
C5 Fe1 C45 C50 81.0(12) . . . . ?
C4 Fe1 C45 C50 43.7(9) . . . . ?
C2 Fe1 C45 C50 -42.8(8) . . . . ?
C1 Fe1 C45 C50 -80.4(11) . . . . ?
C3 Fe1 C45 C50 -0.4(8) . . . . ?
C48 Fe1 C45 C50 -159.4(8) . . . . ?
C49 C45 C46 C47 0.6(10) . . . . ?
C50 C45 C46 C47 -175.7(8) . . . . ?
Fe1 C45 C46 C47 -58.6(6) . . . . ?
C49 C45 C46 Fe1 59.2(6) . . . . ?
C50 C45 C46 Fe1 -117.1(8) . . . . ?
C47 Fe1 C46 C45 -119.4(7) . . . . ?
C49 Fe1 C46 C45 -38.4(5) . . . . ?
C5 Fe1 C46 C45 165.3(5) . . . . ?
C4 Fe1 C46 C45 124.1(6) . . . . ?
C2 Fe1 C46 C45 50.6(11) . . . . ?
C1 Fe1 C46 C45 -161.5(8) . . . . ?
C3 Fe1 C46 C45 81.1(6) . . . . ?
C48 Fe1 C46 C45 -79.7(5) . . . . ?
C45 Fe1 C46 C47 119.4(7) . . . . ?
C49 Fe1 C46 C47 81.0(5) . . . . ?
C5 Fe1 C46 C47 -75.4(6) . . . . ?
C4 Fe1 C46 C47 -116.6(6) . . . . ?
C2 Fe1 C46 C47 169.9(8) . . . . ?
C1 Fe1 C46 C47 -42.2(12) . . . . ?
C3 Fe1 C46 C47 -159.5(5) . . . . ?
C48 Fe1 C46 C47 39.6(5) . . . . ?
C45 C46 C47 C48 -4.9(10) . . . . ?
Fe1 C46 C47 C48 -64.0(6) . . . . ?
C45 C46 C47 Fe1 59.1(6) . . . . ?
C45 Fe1 C47 C46 -37.6(5) . . . . ?
C49 Fe1 C47 C46 -82.1(5) . . . . ?
C5 Fe1 C47 C46 121.1(5) . . . . ?
C4 Fe1 C47 C46 80.4(6) . . . . ?
C2 Fe1 C47 C46 -169.6(9) . . . . ?
C1 Fe1 C47 C46 163.6(5) . . . . ?
C3 Fe1 C47 C46 50.0(12) . . . . ?
C48 Fe1 C47 C46 -116.9(7) . . . . ?
C46 Fe1 C47 C48 116.9(7) . . . . ?
C45 Fe1 C47 C48 79.3(5) . . . . ?
C49 Fe1 C47 C48 34.7(5) . . . . ?
C5 Fe1 C47 C48 -122.0(5) . . . . ?
C4 Fe1 C47 C48 -162.7(5) . . . . ?
C2 Fe1 C47 C48 -52.7(12) . . . . ?
C1 Fe1 C47 C48 -79.6(6) . . . . ?
C3 Fe1 C47 C48 166.8(9) . . . . ?
C46 C47 C48 C49 7.4(9) . . . . ?
Fe1 C47 C48 C49 -54.3(5) . . . . ?
C46 C47 C48 Fe1 61.7(6) . . . . ?
C47 Fe1 C48 C49 121.5(7) . . . . ?
C46 Fe1 C48 C49 82.4(5) . . . . ?
C45 Fe1 C48 C49 38.4(5) . . . . ?
C5 Fe1 C48 C49 -163.6(5) . . . . ?
C4 Fe1 C48 C49 162.7(9) . . . . ?
C2 Fe1 C48 C49 -78.1(6) . . . . ?
C1 Fe1 C48 C49 -119.3(5) . . . . ?
C3 Fe1 C48 C49 -43.5(12) . . . . ?
C46 Fe1 C48 C47 -39.1(5) . . . . ?
C45 Fe1 C48 C47 -83.2(5) . . . . ?
C49 Fe1 C48 C47 -121.5(7) . . . . ?
C5 Fe1 C48 C47 74.9(6) . . . . ?
C4 Fe1 C48 C47 41.1(11) . . . . ?
C2 Fe1 C48 C47 160.3(5) . . . . ?
C1 Fe1 C48 C47 119.1(5) . . . . ?
C3 Fe1 C48 C47 -165.1(10) . . . . ?
C47 C48 C49 C45 -7.1(9) . . . . ?
Fe1 C48 C49 C45 -60.2(5) . . . . ?
C47 C48 C49 Fe1 53.1(5) . . . . ?
C46 C45 C49 C48 4.3(10) . . . . ?
C50 C45 C49 C48 -179.6(8) . . . . ?
Fe1 C45 C49 C48 63.7(6) . . . . ?
C46 C45 C49 Fe1 -59.3(6) . . . . ?
C50 C45 C49 Fe1 116.7(9) . . . . ?
C47 Fe1 C49 C48 -37.6(5) . . . . ?
C46 Fe1 C49 C48 -82.1(5) . . . . ?
C45 Fe1 C49 C48 -119.9(6) . . . . ?
C5 Fe1 C49 C48 37.4(10) . . . . ?
C4 Fe1 C49 C48 -157.0(12) . . . . ?
C2 Fe1 C49 C48 120.5(5) . . . . ?
C1 Fe1 C49 C48 77.4(5) . . . . ?
C3 Fe1 C49 C48 163.1(5) . . . . ?
C47 Fe1 C49 C45 82.2(5) . . . . ?
C46 Fe1 C49 C45 37.8(5) . . . . ?
C5 Fe1 C49 C45 157.3(7) . . . . ?
C4 Fe1 C49 C45 -37.1(14) . . . . ?
C2 Fe1 C49 C45 -119.6(5) . . . . ?
C1 Fe1 C49 C45 -162.7(4) . . . . ?
C3 Fe1 C49 C45 -77.0(6) . . . . ?
C48 Fe1 C49 C45 119.9(6) . . . . ?
C54 N5 C50 C51 4.3(14) . . . . ?
Cu2 N5 C50 C51 -167.4(8) . . . . ?
C54 N5 C50 C45 -178.6(8) . . . . ?
Cu2 N5 C50 C45 9.7(13) . . . . ?
C46 C45 C50 N5 -155.2(9) . . . . ?
C49 C45 C50 N5 29.3(14) . . . . ?
Fe1 C45 C50 N5 118.6(8) . . . . ?
C46 C45 C50 C51 21.9(14) . . . . ?
C49 C45 C50 C51 -153.5(9) . . . . ?
Fe1 C45 C50 C51 -64.2(11) . . . . ?
N5 C50 C51 C52 -6.9(18) . . . . ?
C45 C50 C51 C52 176.0(13) . . . . ?
C50 C51 C52 C53 4(2) . . . . ?
C51 C52 C53 C54 1(3) . . . . ?
C50 N5 C54 C53 1.0(16) . . . . ?
Cu2 N5 C54 C53 174.0(10) . . . . ?
C50 N5 C54 C55 -179.2(9) . . . . ?
Cu2 N5 C54 C55 -6.2(12) . . . . ?
C52 C53 C54 N5 -4(2) . . . . ?
C52 C53 C54 C55 176.5(14) . . . . ?
C59 N6 C55 C56 -1.5(16) . . . . ?
Cu2 N6 C55 C56 176.4(10) . . . . ?
C59 N6 C55 C54 174.4(10) . . . . ?
Cu2 N6 C55 C54 -7.7(13) . . . . ?
N5 C54 C55 N6 9.2(15) . . . . ?
C53 C54 C55 N6 -171.0(12) . . . . ?
N5 C54 C55 C56 -175.0(11) . . . . ?
C53 C54 C55 C56 5(2) . . . . ?
N6 C55 C56 C57 4(2) . . . . ?
C54 C55 C56 C57 -171.4(12) . . . . ?
C55 C56 C57 C58 -8(2) . . . . ?
C56 C57 C58 C59 9(2) . . . . ?
C56 C57 C58 C63 174.3(13) . . . . ?
C55 N6 C59 C58 2.8(14) . . . . ?
Cu2 N6 C59 C58 -174.8(8) . . . . ?
C55 N6 C59 C60 -178.6(9) . . . . ?
Cu2 N6 C59 C60 3.9(13) . . . . ?
C57 C58 C59 N6 -7.2(18) . . . . ?
C63 C58 C59 N6 -174.2(10) . . . . ?
C57 C58 C59 C60 174.2(11) . . . . ?
C63 C58 C59 C60 7.2(15) . . . . ?
N6 C59 C60 C61 176.0(8) . . . . ?
C58 C59 C60 C61 -5.3(13) . . . . ?
C59 C60 C61 C64 49.4(10) . . . . ?
C59 C60 C61 C62 -48.6(10) . . . . ?
C60 C61 C62 C63 82.6(8) . . . . ?
C64 C61 C62 C63 -28.5(7) . . . . ?
C57 C58 C63 C64 139.9(13) . . . . ?
C59 C58 C63 C64 -53.8(13) . . . . ?
C57 C58 C63 C62 -122.0(14) . . . . ?
C59 C58 C63 C62 44.3(14) . . . . ?
C61 C62 C63 C58 -83.1(10) . . . . ?
C61 C62 C63 C64 28.3(7) . . . . ?
C60 C61 C64 C65 40.8(11) . . . . ?
C62 C61 C64 C65 151.4(9) . . . . ?
C60 C61 C64 C66 168.4(8) . . . . ?
C62 C61 C64 C66 -81.1(9) . . . . ?
C60 C61 C64 C63 -81.4(9) . . . . ?
C62 C61 C64 C63 29.2(8) . . . . ?
C58 C63 C64 C65 -28.6(13) . . . . ?
C62 C63 C64 C65 -142.6(10) . . . . ?
C58 C63 C64 C66 -165.5(9) . . . . ?
C62 C63 C64 C66 80.6(10) . . . . ?
C58 C63 C64 C61 85.3(10) . . . . ?
C62 C63 C64 C61 -28.7(8) . . . . ?
C70 Fe2 C67 C71 37.3(5) . . . . ?
C69 Fe2 C67 C71 80.7(5) . . . . ?
C25 Fe2 C67 C71 -75.9(6) . . . . ?
C24 Fe2 C67 C71 -37.9(11) . . . . ?
C26 Fe2 C67 C71 -119.4(5) . . . . ?
C23 Fe2 C67 C71 163.8(8) . . . . ?
C68 Fe2 C67 C71 119.2(7) . . . . ?
C27 Fe2 C67 C71 -159.9(5) . . . . ?
C70 Fe2 C67 C72 157.1(8) . . . . ?
C71 Fe2 C67 C72 119.8(9) . . . . ?
C69 Fe2 C67 C72 -159.5(8) . . . . ?
C25 Fe2 C67 C72 43.9(8) . . . . ?
C24 Fe2 C67 C72 81.9(12) . . . . ?
C26 Fe2 C67 C72 0.4(7) . . . . ?
C23 Fe2 C67 C72 -76.4(11) . . . . ?
C68 Fe2 C67 C72 -121.0(8) . . . . ?
C27 Fe2 C67 C72 -40.1(8) . . . . ?
C70 Fe2 C67 C68 -81.9(5) . . . . ?
C71 Fe2 C67 C68 -119.2(7) . . . . ?
C69 Fe2 C67 C68 -38.5(4) . . . . ?
C25 Fe2 C67 C68 164.9(4) . . . . ?
C24 Fe2 C67 C68 -157.1(9) . . . . ?
C26 Fe2 C67 C68 121.4(5) . . . . ?
C23 Fe2 C67 C68 44.6(10) . . . . ?
C27 Fe2 C67 C68 80.9(5) . . . . ?
C71 C67 C68 C69 2.7(10) . . . . ?
C72 C67 C68 C69 -178.6(8) . . . . ?
Fe2 C67 C68 C69 60.6(7) . . . . ?
C71 C67 C68 Fe2 -57.9(6) . . . . ?
C72 C67 C68 Fe2 120.7(8) . . . . ?
C70 Fe2 C68 C69 -32.6(6) . . . . ?
C71 Fe2 C68 C69 -77.2(6) . . . . ?
C25 Fe2 C68 C69 -161.0(11) . . . . ?
C24 Fe2 C68 C69 46.1(11) . . . . ?
C26 Fe2 C68 C69 166.6(6) . . . . ?
C67 Fe2 C68 C69 -114.7(7) . . . . ?
C23 Fe2 C68 C69 83.1(6) . . . . ?
C27 Fe2 C68 C69 126.7(6) . . . . ?
C70 Fe2 C68 C67 82.1(5) . . . . ?
C71 Fe2 C68 C67 37.6(4) . . . . ?
C69 Fe2 C68 C67 114.7(7) . . . . ?
C25 Fe2 C68 C67 -46.3(14) . . . . ?
C24 Fe2 C68 C67 160.8(8) . . . . ?
C26 Fe2 C68 C67 -78.6(6) . . . . ?
C23 Fe2 C68 C67 -162.2(4) . . . . ?
C27 Fe2 C68 C67 -118.5(4) . . . . ?
C67 C68 C69 C70 -5.5(12) . . . . ?
Fe2 C68 C69 C70 54.8(8) . . . . ?
C67 C68 C69 Fe2 -60.3(6) . . . . ?
C70 Fe2 C69 C68 128.4(9) . . . . ?
C71 Fe2 C69 C68 86.7(6) . . . . ?
C25 Fe2 C69 C68 165.9(9) . . . . ?
C24 Fe2 C69 C68 -159.4(6) . . . . ?
C26 Fe2 C69 C68 -34.8(14) . . . . ?
C67 Fe2 C69 C68 41.8(5) . . . . ?
C23 Fe2 C69 C68 -114.9(6) . . . . ?
C27 Fe2 C69 C68 -71.6(7) . . . . ?
C71 Fe2 C69 C70 -41.7(6) . . . . ?
C25 Fe2 C69 C70 37.5(13) . . . . ?
C24 Fe2 C69 C70 72.2(7) . . . . ?
C26 Fe2 C69 C70 -163.1(11) . . . . ?
C67 Fe2 C69 C70 -86.6(6) . . . . ?
C23 Fe2 C69 C70 116.7(6) . . . . ?
C68 Fe2 C69 C70 -128.4(9) . . . . ?
C27 Fe2 C69 C70 160.0(6) . . . . ?
C68 C69 C70 C71 5.9(13) . . . . ?
Fe2 C69 C70 C71 62.2(6) . . . . ?
C68 C69 C70 Fe2 -56.3(8) . . . . ?
C71 Fe2 C70 C69 113.5(8) . . . . ?
C25 Fe2 C70 C69 -163.9(6) . . . . ?
C24 Fe2 C70 C69 -123.6(6) . . . . ?
C26 Fe2 C70 C69 165.0(9) . . . . ?
C67 Fe2 C70 C69 76.8(6) . . . . ?
C23 Fe2 C70 C69 -82.4(6) . . . . ?
C68 Fe2 C70 C69 31.6(6) . . . . ?
C27 Fe2 C70 C69 -54.9(13) . . . . ?
C69 Fe2 C70 C71 -113.5(8) . . . . ?
C25 Fe2 C70 C71 82.6(6) . . . . ?
C24 Fe2 C70 C71 122.9(5) . . . . ?
C26 Fe2 C70 C71 51.5(12) . . . . ?
C67 Fe2 C70 C71 -36.7(5) . . . . ?
C23 Fe2 C70 C71 164.1(5) . . . . ?
C68 Fe2 C70 C71 -81.9(6) . . . . ?
C27 Fe2 C70 C71 -168.4(9) . . . . ?
C72 C67 C71 C70 -178.1(8) . . . . ?
C68 C67 C71 C70 0.6(11) . . . . ?
Fe2 C67 C71 C70 -57.9(7) . . . . ?
C72 C67 C71 Fe2 -120.1(8) . . . . ?
C68 C67 C71 Fe2 58.5(6) . . . . ?
C69 C70 C71 C67 -3.6(11) . . . . ?
Fe2 C70 C71 C67 59.2(6) . . . . ?
C69 C70 C71 Fe2 -62.8(7) . . . . ?
C70 Fe2 C71 C67 -121.0(8) . . . . ?
C69 Fe2 C71 C67 -80.7(5) . . . . ?
C25 Fe2 C71 C67 123.3(5) . . . . ?
C24 Fe2 C71 C67 165.3(5) . . . . ?
C26 Fe2 C71 C67 79.5(6) . . . . ?
C23 Fe2 C71 C67 -162.6(8) . . . . ?
C68 Fe2 C71 C67 -38.7(5) . . . . ?
C27 Fe2 C71 C67 49.0(11) . . . . ?
C69 Fe2 C71 C70 40.3(5) . . . . ?
C25 Fe2 C71 C70 -115.7(6) . . . . ?
C24 Fe2 C71 C70 -73.7(6) . . . . ?
C26 Fe2 C71 C70 -159.6(5) . . . . ?
C67 Fe2 C71 C70 121.0(8) . . . . ?
C23 Fe2 C71 C70 -41.6(12) . . . . ?
C68 Fe2 C71 C70 82.2(6) . . . . ?
C27 Fe2 C71 C70 169.9(8) . . . . ?
C76 N7 C72 C73 3.1(12) . . . . ?
Cu2 N7 C72 C73 -152.7(7) . . . . ?
C76 N7 C72 C67 -178.0(7) . . . . ?
Cu2 N7 C72 C67 26.3(10) . . . . ?
C71 C67 C72 N7 -144.5(8) . . . . ?
C68 C67 C72 N7 37.1(12) . . . . ?
Fe2 C67 C72 N7 127.2(7) . . . . ?
C71 C67 C72 C73 34.4(13) . . . . ?
C68 C67 C72 C73 -143.9(9) . . . . ?
Fe2 C67 C72 C73 -53.9(10) . . . . ?
N7 C72 C73 C74 -4.3(14) . . . . ?
C67 C72 C73 C74 176.8(8) . . . . ?
C72 C73 C74 C75 0.7(15) . . . . ?
C73 C74 C75 C76 3.6(14) . . . . ?
C72 N7 C76 C75 1.8(11) . . . . ?
Cu2 N7 C76 C75 161.7(6) . . . . ?
C72 N7 C76 C77 -179.3(7) . . . . ?
Cu2 N7 C76 C77 -19.4(8) . . . . ?
C74 C75 C76 N7 -5.0(12) . . . . ?
C74 C75 C76 C77 176.1(8) . . . . ?
C81 N8 C77 C78 -2.0(11) . . . . ?
Cu2 N8 C77 C78 177.5(6) . . . . ?
C81 N8 C77 C76 175.2(7) . . . . ?
Cu2 N8 C77 C76 -5.4(8) . . . . ?
N7 C76 C77 C78 -165.8(8) . . . . ?
C75 C76 C77 C78 13.1(12) . . . . ?
N7 C76 C77 N8 17.2(10) . . . . ?
C75 C76 C77 N8 -163.9(7) . . . . ?
N8 C77 C78 C79 4.8(12) . . . . ?
C76 C77 C78 C79 -172.1(7) . . . . ?
C77 C78 C79 C80 -4.0(12) . . . . ?
C78 C79 C80 C81 0.6(11) . . . . ?
C78 C79 C80 C85 -179.8(8) . . . . ?
C77 N8 C81 C80 -1.5(12) . . . . ?
Cu2 N8 C81 C80 179.2(6) . . . . ?
C77 N8 C81 C82 177.1(7) . . . . ?
Cu2 N8 C81 C82 -2.3(10) . . . . ?
C79 C80 C81 N8 2.1(12) . . . . ?
C85 C80 C81 N8 -177.4(7) . . . . ?
C79 C80 C81 C82 -176.5(7) . . . . ?
C85 C80 C81 C82 4.0(11) . . . . ?
N8 C81 C82 C83 176.7(7) . . . . ?
C80 C81 C82 C83 -4.6(10) . . . . ?
C81 C82 C83 C84 -44.9(8) . . . . ?
C81 C82 C83 C86 48.2(9) . . . . ?
C82 C83 C84 C85 82.2(6) . . . . ?
C86 C83 C84 C85 -27.0(6) . . . . ?
C81 C80 C85 C86 -48.8(10) . . . . ?
C79 C80 C85 C86 131.7(8) . . . . ?
C81 C80 C85 C84 44.6(9) . . . . ?
C79 C80 C85 C84 -134.9(8) . . . . ?
C83 C84 C85 C80 -82.6(7) . . . . ?
C83 C84 C85 C86 27.8(6) . . . . ?
C80 C85 C86 C88 -172.7(7) . . . . ?
C84 C85 C86 C88 80.8(8) . . . . ?
C80 C85 C86 C87 -41.5(9) . . . . ?
C84 C85 C86 C87 -148.0(7) . . . . ?
C80 C85 C86 C83 79.4(7) . . . . ?
C84 C85 C86 C83 -27.1(6) . . . . ?
C84 C83 C86 C88 -86.2(7) . . . . ?
C82 C83 C86 C88 166.8(7) . . . . ?
C84 C83 C86 C85 28.0(6) . . . . ?
C82 C83 C86 C85 -79.1(7) . . . . ?
C84 C83 C86 C87 147.4(7) . . . . ?
C82 C83 C86 C87 40.3(9) . . . . ?
C91 Fe3 C89 C90 -37.7(5) . . . . ?
C92 Fe3 C89 C90 -82.6(5) . . . . ?
C112 Fe3 C89 C90 101.9(5) . . . . ?
C93 Fe3 C89 C90 -120.1(7) . . . . ?
C115 Fe3 C89 C90 -176.5(5) . . . . ?
C114 Fe3 C89 C90 32(4) . . . . ?
C111 Fe3 C89 C90 148.1(5) . . . . ?
C113 Fe3 C89 C90 64.4(6) . . . . ?
C91 Fe3 C89 C94 -164.3(9) . . . . ?
C92 Fe3 C89 C94 150.7(9) . . . . ?
C112 Fe3 C89 C94 -24.7(8) . . . . ?
C90 Fe3 C89 C94 -126.6(9) . . . . ?
C93 Fe3 C89 C94 113.2(9) . . . . ?
C115 Fe3 C89 C94 56.9(10) . . . . ?
C114 Fe3 C89 C94 -95(4) . . . . ?
C111 Fe3 C89 C94 21.5(8) . . . . ?
C113 Fe3 C89 C94 -62.2(9) . . . . ?
C91 Fe3 C89 C93 82.4(6) . . . . ?
C92 Fe3 C89 C93 37.5(5) . . . . ?
C112 Fe3 C89 C93 -137.9(5) . . . . ?
C90 Fe3 C89 C93 120.1(7) . . . . ?
C115 Fe3 C89 C93 -56.3(7) . . . . ?
C114 Fe3 C89 C93 152(4) . . . . ?
C111 Fe3 C89 C93 -91.8(6) . . . . ?
C113 Fe3 C89 C93 -175.4(5) . . . . ?
C94 C89 C90 C91 -178.8(9) . . . . ?
C93 C89 C90 C91 0.0(10) . . . . ?
Fe3 C89 C90 C91 57.5(6) . . . . ?
C94 C89 C90 Fe3 123.7(10) . . . . ?
C93 C89 C90 Fe3 -57.5(6) . . . . ?
C92 Fe3 C90 C91 -38.2(5) . . . . ?
C112 Fe3 C90 C91 145.0(6) . . . . ?
C93 Fe3 C90 C91 -81.9(6) . . . . ?
C115 Fe3 C90 C91 32(5) . . . . ?
C114 Fe3 C90 C91 64.5(7) . . . . ?
C111 Fe3 C90 C91 -176.1(6) . . . . ?
C89 Fe3 C90 C91 -119.5(7) . . . . ?
C113 Fe3 C90 C91 102.5(6) . . . . ?
C91 Fe3 C90 C89 119.5(7) . . . . ?
C92 Fe3 C90 C89 81.3(5) . . . . ?
C112 Fe3 C90 C89 -95.5(5) . . . . ?
C93 Fe3 C90 C89 37.6(5) . . . . ?
C115 Fe3 C90 C89 151(4) . . . . ?
C114 Fe3 C90 C89 -176.0(5) . . . . ?
C111 Fe3 C90 C89 -56.6(8) . . . . ?
C113 Fe3 C90 C89 -137.9(5) . . . . ?
C89 C90 C91 C92 0.5(11) . . . . ?
Fe3 C90 C91 C92 60.0(7) . . . . ?
C89 C90 C91 Fe3 -59.5(6) . . . . ?
C92 Fe3 C91 C90 119.6(8) . . . . ?
C112 Fe3 C91 C90 -59.7(8) . . . . ?
C93 Fe3 C91 C90 82.0(6) . . . . ?
C115 Fe3 C91 C90 -176.7(5) . . . . ?
C114 Fe3 C91 C90 -137.1(6) . . . . ?
C111 Fe3 C91 C90 159(3) . . . . ?
C89 Fe3 C91 C90 37.5(5) . . . . ?
C113 Fe3 C91 C90 -94.7(6) . . . . ?
C112 Fe3 C91 C92 -179.3(6) . . . . ?
C90 Fe3 C91 C92 -119.6(8) . . . . ?
C93 Fe3 C91 C92 -37.6(5) . . . . ?
C115 Fe3 C91 C92 63.7(7) . . . . ?
C114 Fe3 C91 C92 103.4(6) . . . . ?
C111 Fe3 C91 C92 39(4) . . . . ?
C89 Fe3 C91 C92 -82.1(6) . . . . ?
C113 Fe3 C91 C92 145.8(5) . . . . ?
C90 C91 C92 C93 -0.8(11) . . . . ?
Fe3 C91 C92 C93 60.1(7) . . . . ?
C90 C91 C92 Fe3 -61.0(6) . . . . ?
C91 Fe3 C92 C93 -119.1(7) . . . . ?
C112 Fe3 C92 C93 55(6) . . . . ?
C90 Fe3 C92 C93 -81.6(5) . . . . ?
C115 Fe3 C92 C93 102.7(5) . . . . ?
C114 Fe3 C92 C93 147.4(5) . . . . ?
C111 Fe3 C92 C93 66.3(7) . . . . ?
C89 Fe3 C92 C93 -38.0(5) . . . . ?
C113 Fe3 C92 C93 -178.8(6) . . . . ?
C112 Fe3 C92 C91 174(5) . . . . ?
C90 Fe3 C92 C91 37.4(5) . . . . ?
C93 Fe3 C92 C91 119.1(7) . . . . ?
C115 Fe3 C92 C91 -138.2(5) . . . . ?
C114 Fe3 C92 C91 -93.5(6) . . . . ?
C111 Fe3 C92 C91 -174.6(5) . . . . ?
C89 Fe3 C92 C91 81.1(5) . . . . ?
C113 Fe3 C92 C91 -59.7(8) . . . . ?
C91 C92 C93 C89 0.8(10) . . . . ?
Fe3 C92 C93 C89 59.3(6) . . . . ?
C91 C92 C93 Fe3 -58.4(7) . . . . ?
C90 C89 C93 C92 -0.5(10) . . . . ?
C94 C89 C93 C92 178.4(8) . . . . ?
Fe3 C89 C93 C92 -58.1(6) . . . . ?
C90 C89 C93 Fe3 57.6(6) . . . . ?
C94 C89 C93 Fe3 -123.5(8) . . . . ?
C91 Fe3 C93 C92 38.5(5) . . . . ?
C112 Fe3 C93 C92 -174.9(5) . . . . ?
C90 Fe3 C93 C92 82.4(5) . . . . ?
C115 Fe3 C93 C92 -93.2(6) . . . . ?
C114 Fe3 C93 C92 -56.2(9) . . . . ?
C111 Fe3 C93 C92 -135.1(5) . . . . ?
C89 Fe3 C93 C92 119.5(7) . . . . ?
C113 Fe3 C93 C92 170(5) . . . . ?
C91 Fe3 C93 C89 -81.0(5) . . . . ?
C92 Fe3 C93 C89 -119.5(7) . . . . ?
C112 Fe3 C93 C89 65.6(7) . . . . ?
C90 Fe3 C93 C89 -37.1(4) . . . . ?
C115 Fe3 C93 C89 147.3(5) . . . . ?
C114 Fe3 C93 C89 -175.7(6) . . . . ?
C111 Fe3 C93 C89 105.4(5) . . . . ?
C113 Fe3 C93 C89 50(5) . . . . ?
C98 N10 C94 C95 -10.2(14) . . . . ?
Cu3 N10 C94 C95 171.7(9) . . . . ?
C98 N10 C94 C89 172.0(8) . . . . ?
Cu3 N10 C94 C89 -6.2(11) . . . . ?
C90 C89 C94 C95 -133.3(12) . . . . ?
C93 C89 C94 C95 48.0(14) . . . . ?
Fe3 C89 C94 C95 -38.4(14) . . . . ?
C90 C89 C94 N10 44.4(13) . . . . ?
C93 C89 C94 N10 -134.3(8) . . . . ?
Fe3 C89 C94 N10 139.4(7) . . . . ?
N10 C94 C95 C96 4(2) . . . . ?
C89 C94 C95 C96 -178.2(14) . . . . ?
C94 C95 C96 C97 4(3) . . . . ?
C95 C96 C97 C98 -6(3) . . . . ?
C94 N10 C98 C97 8.4(13) . . . . ?
Cu3 N10 C98 C97 -173.2(8) . . . . ?
C94 N10 C98 C99 -176.1(7) . . . . ?
Cu3 N10 C98 C99 2.3(10) . . . . ?
C96 C97 C98 N10 -0.5(19) . . . . ?
C96 C97 C98 C99 -175.4(13) . . . . ?
C103 N9 C99 C100 1.7(11) . . . . ?
Cu3 N9 C99 C100 -178.1(6) . . . . ?
C103 N9 C99 C98 -179.6(7) . . . . ?
Cu3 N9 C99 C98 0.6(9) . . . . ?
N10 C98 C99 N9 -2.0(11) . . . . ?
C97 C98 C99 N9 173.1(9) . . . . ?
N10 C98 C99 C100 176.7(7) . . . . ?
C97 C98 C99 C100 -8.2(15) . . . . ?
N9 C99 C100 C101 1.9(12) . . . . ?
C98 C99 C100 C101 -176.8(8) . . . . ?
C99 C100 C101 C102 -1.7(12) . . . . ?
C100 C101 C102 C103 -1.7(12) . . . . ?
C100 C101 C102 C108 176.9(8) . . . . ?
C99 N9 C103 C102 -5.5(12) . . . . ?
Cu3 N9 C103 C102 174.2(6) . . . . ?
C99 N9 C103 C104 174.4(7) . . . . ?
Cu3 N9 C103 C104 -5.9(10) . . . . ?
C101 C102 C103 N9 5.6(12) . . . . ?
C108 C102 C103 N9 -173.1(8) . . . . ?
C101 C102 C103 C104 -174.3(7) . . . . ?
C108 C102 C103 C104 7.0(11) . . . . ?
N9 C103 C104 C105 177.0(7) . . . . ?
C102 C103 C104 C105 -3.1(10) . . . . ?
C103 C104 C105 C106 46.6(10) . . . . ?
C103 C104 C105 C107 -44.1(8) . . . . ?
C104 C105 C106 C109 168.2(8) . . . . ?
C107 C105 C106 C109 -87.9(9) . . . . ?
C104 C105 C106 C108 -79.2(8) . . . . ?
C107 C105 C106 C108 24.7(6) . . . . ?
C104 C105 C106 C110 38.3(10) . . . . ?
C107 C105 C106 C110 142.2(7) . . . . ?
C104 C105 C107 C108 87.7(7) . . . . ?
C106 C105 C107 C108 -27.3(7) . . . . ?
C105 C107 C108 C102 -82.6(8) . . . . ?
C105 C107 C108 C106 26.3(7) . . . . ?
C103 C102 C108 C107 41.2(10) . . . . ?
C101 C102 C108 C107 -137.5(8) . . . . ?
C103 C102 C108 C106 -50.9(10) . . . . ?
C101 C102 C108 C106 130.4(8) . . . . ?
C109 C106 C108 C107 86.7(9) . . . . ?
C105 C106 C108 C107 -27.1(7) . . . . ?
C110 C106 C108 C107 -144.1(8) . . . . ?
C109 C106 C108 C102 -168.7(7) . . . . ?
C105 C106 C108 C102 77.5(8) . . . . ?
C110 C106 C108 C102 -39.5(10) . . . . ?
C91 Fe3 C111 C115 28(4) . . . . ?
C92 Fe3 C111 C115 62.9(7) . . . . ?
C112 Fe3 C111 C115 -118.4(8) . . . . ?
C90 Fe3 C111 C115 -176.8(6) . . . . ?
C93 Fe3 C111 C115 102.2(6) . . . . ?
C114 Fe3 C111 C115 -38.7(5) . . . . ?
C89 Fe3 C111 C115 146.5(5) . . . . ?
C113 Fe3 C111 C115 -81.5(6) . . . . ?
C91 Fe3 C111 C112 146(4) . . . . ?
C92 Fe3 C111 C112 -178.7(6) . . . . ?
C90 Fe3 C111 C112 -58.4(8) . . . . ?
C93 Fe3 C111 C112 -139.5(5) . . . . ?
C115 Fe3 C111 C112 118.4(8) . . . . ?
C114 Fe3 C111 C112 79.6(6) . . . . ?
C89 Fe3 C111 C112 -95.1(6) . . . . ?
C113 Fe3 C111 C112 36.9(5) . . . . ?
C115 C111 C112 C113 -2.8(10) . . . . ?
Fe3 C111 C112 C113 -62.4(7) . . . . ?
C115 C111 C112 Fe3 59.7(6) . . . . ?
C91 Fe3 C112 C113 -56.0(8) . . . . ?
C92 Fe3 C112 C113 131(5) . . . . ?
C90 Fe3 C112 C113 -94.1(6) . . . . ?
C93 Fe3 C112 C113 -178.3(5) . . . . ?
C115 Fe3 C112 C113 81.6(6) . . . . ?
C114 Fe3 C112 C113 36.3(6) . . . . ?
C111 Fe3 C112 C113 118.3(8) . . . . ?
C89 Fe3 C112 C113 -138.2(5) . . . . ?
C91 Fe3 C112 C111 -174.3(6) . . . . ?
C92 Fe3 C112 C111 12(6) . . . . ?
C90 Fe3 C112 C111 147.6(5) . . . . ?
C93 Fe3 C112 C111 63.4(7) . . . . ?
C115 Fe3 C112 C111 -36.7(5) . . . . ?
C114 Fe3 C112 C111 -82.1(6) . . . . ?
C89 Fe3 C112 C111 103.5(5) . . . . ?
C113 Fe3 C112 C111 -118.3(8) . . . . ?
C111 C112 C113 C114 3.1(11) . . . . ?
Fe3 C112 C113 C114 -58.0(7) . . . . ?
C111 C112 C113 C116 -177.0(9) . . . . ?
Fe3 C112 C113 C116 121.8(11) . . . . ?
C111 C112 C113 Fe3 61.1(6) . . . . ?
C91 Fe3 C113 C112 146.6(5) . . . . ?
C92 Fe3 C113 C112 -174.6(6) . . . . ?
C90 Fe3 C113 C112 102.4(5) . . . . ?
C93 Fe3 C113 C112 17(5) . . . . ?
C115 Fe3 C113 C112 -82.1(5) . . . . ?
C114 Fe3 C113 C112 -121.1(8) . . . . ?
C111 Fe3 C113 C112 -39.8(5) . . . . ?
C89 Fe3 C113 C112 63.5(7) . . . . ?
C91 Fe3 C113 C114 -92.3(6) . . . . ?
C92 Fe3 C113 C114 -53.5(9) . . . . ?
C112 Fe3 C113 C114 121.1(8) . . . . ?
C90 Fe3 C113 C114 -136.5(6) . . . . ?
C93 Fe3 C113 C114 138(5) . . . . ?
C115 Fe3 C113 C114 39.1(6) . . . . ?
C111 Fe3 C113 C114 81.4(6) . . . . ?
C89 Fe3 C113 C114 -175.4(6) . . . . ?
C91 Fe3 C113 C116 24.3(9) . . . . ?
C92 Fe3 C113 C116 63.1(11) . . . . ?
C112 Fe3 C113 C116 -122.3(10) . . . . ?
C90 Fe3 C113 C116 -19.9(9) . . . . ?
C93 Fe3 C113 C116 -106(5) . . . . ?
C115 Fe3 C113 C116 155.7(9) . . . . ?
C114 Fe3 C113 C116 116.6(10) . . . . ?
C111 Fe3 C113 C116 -162.1(9) . . . . ?
C89 Fe3 C113 C116 -58.8(9) . . . . ?
C112 C113 C114 C115 -2.2(11) . . . . ?
C116 C113 C114 C115 177.9(9) . . . . ?
Fe3 C113 C114 C115 -59.4(6) . . . . ?
C112 C113 C114 Fe3 57.1(7) . . . . ?
C116 C113 C114 Fe3 -122.8(10) . . . . ?
C91 Fe3 C114 C113 103.7(6) . . . . ?
C92 Fe3 C114 C113 148.5(5) . . . . ?
C112 Fe3 C114 C113 -36.1(5) . . . . ?
C90 Fe3 C114 C113 64.9(7) . . . . ?
C93 Fe3 C114 C113 -175.3(6) . . . . ?
C115 Fe3 C114 C113 -118.6(8) . . . . ?
C111 Fe3 C114 C113 -82.3(6) . . . . ?
C89 Fe3 C114 C113 36(4) . . . . ?
C91 Fe3 C114 C115 -137.6(5) . . . . ?
C92 Fe3 C114 C115 -92.8(6) . . . . ?
C112 Fe3 C114 C115 82.5(5) . . . . ?
C90 Fe3 C114 C115 -176.4(5) . . . . ?
C93 Fe3 C114 C115 -56.7(8) . . . . ?
C111 Fe3 C114 C115 36.4(5) . . . . ?
C89 Fe3 C114 C115 155(4) . . . . ?
C113 Fe3 C114 C115 118.6(8) . . . . ?
C112 C111 C115 C114 1.3(10) . . . . ?
Fe3 C111 C115 C114 59.0(6) . . . . ?
C112 C111 C115 Fe3 -57.7(6) . . . . ?
C113 C114 C115 C111 0.5(10) . . . . ?
Fe3 C114 C115 C111 -59.9(6) . . . . ?
C113 C114 C115 Fe3 60.4(7) . . . . ?
C91 Fe3 C115 C111 -175.9(6) . . . . ?
C92 Fe3 C115 C111 -136.8(6) . . . . ?
C112 Fe3 C115 C111 39.8(5) . . . . ?
C90 Fe3 C115 C111 155(4) . . . . ?
C93 Fe3 C115 C111 -93.3(6) . . . . ?
C114 Fe3 C115 C111 119.4(7) . . . . ?
C89 Fe3 C115 C111 -56.8(8) . . . . ?
C113 Fe3 C115 C111 82.3(5) . . . . ?
C91 Fe3 C115 C114 64.7(7) . . . . ?
C92 Fe3 C115 C114 103.8(6) . . . . ?
C112 Fe3 C115 C114 -79.6(6) . . . . ?
C90 Fe3 C115 C114 35(5) . . . . ?
C93 Fe3 C115 C114 147.4(5) . . . . ?
C111 Fe3 C115 C114 -119.4(7) . . . . ?
C89 Fe3 C115 C114 -176.1(6) . . . . ?
C113 Fe3 C115 C114 -37.0(5) . . . . ?
C120 N11 C116 C117 1.3(15) . . . . ?
Cu3 N11 C116 C117 174.7(9) 2_755 . . . ?
C120 N11 C116 C113 174.6(9) . . . . ?
Cu3 N11 C116 C113 -12.0(14) 2_755 . . . ?
C112 C113 C116 N11 41.0(16) . . . . ?
C114 C113 C116 N11 -139.1(10) . . . . ?
Fe3 C113 C116 N11 131.9(8) . . . . ?
C112 C113 C116 C117 -145.9(12) . . . . ?
C114 C113 C116 C117 34.0(17) . . . . ?
Fe3 C113 C116 C117 -54.9(15) . . . . ?
N11 C116 C117 C118 -2(2) . . . . ?
C113 C116 C117 C118 -174.5(13) . . . . ?
C116 C117 C118 C119 3(2) . . . . ?
C117 C118 C119 C120 -5(3) . . . . ?
C118 C119 C120 N11 5(2) . . . . ?
C118 C119 C120 C121 174.4(14) . . . . ?
C116 N11 C120 C119 -2.6(15) . . . . ?
Cu3 N11 C120 C119 -177.2(10) 2_755 . . . ?
C116 N11 C120 C121 -173.6(8) . . . . ?
Cu3 N11 C120 C121 11.8(9) 2_755 . . . ?
C125 N12 C121 C122 1.8(12) . . . . ?
Cu3 N12 C121 C122 -177.2(6) 2_755 . . . ?
C125 N12 C121 C120 -178.1(7) . . . . ?
Cu3 N12 C121 C120 2.8(9) 2_755 . . . ?
C119 C120 C121 N12 179.4(11) . . . . ?
N11 C120 C121 N12 -9.9(11) . . . . ?
C119 C120 C121 C122 -0.5(16) . . . . ?
N11 C120 C121 C122 170.1(8) . . . . ?
N12 C121 C122 C123 0.5(12) . . . . ?
C120 C121 C122 C123 -179.6(8) . . . . ?
C121 C122 C123 C124 0.3(12) . . . . ?
C122 C123 C124 C125 -3.2(11) . . . . ?
C122 C123 C124 C129 180.0(7) . . . . ?
C121 N12 C125 C124 -5.0(11) . . . . ?
Cu3 N12 C125 C124 173.9(6) 2_755 . . . ?
C121 N12 C125 C126 176.1(7) . . . . ?
Cu3 N12 C125 C126 -5.0(10) 2_755 . . . ?
C123 C124 C125 N12 5.7(11) . . . . ?
C129 C124 C125 N12 -177.2(7) . . . . ?
C123 C124 C125 C126 -175.4(7) . . . . ?
C129 C124 C125 C126 1.7(10) . . . . ?
N12 C125 C126 C127 177.0(7) . . . . ?
C124 C125 C126 C127 -2.0(10) . . . . ?
C125 C126 C127 C130 46.3(9) . . . . ?
C125 C126 C127 C128 -47.3(9) . . . . ?
C126 C127 C128 C129 85.4(7) . . . . ?
C130 C127 C128 C129 -26.1(5) . . . . ?
C123 C124 C129 C130 129.2(8) . . . . ?
C125 C124 C129 C130 -47.6(9) . . . . ?
C123 C124 C129 C128 -135.5(8) . . . . ?
C125 C124 C129 C128 47.7(8) . . . . ?
C127 C128 C129 C124 -85.1(6) . . . . ?
C127 C128 C129 C130 27.1(5) . . . . ?
C124 C129 C130 C132 -42.7(9) . . . . ?
C128 C129 C130 C132 -149.1(7) . . . . ?
C124 C129 C130 C131 -169.0(7) . . . . ?
C128 C129 C130 C131 84.6(7) . . . . ?
C124 C129 C130 C127 79.0(7) . . . . ?
C128 C129 C130 C127 -27.3(6) . . . . ?
C126 C127 C130 C129 -79.1(7) . . . . ?
C128 C127 C130 C129 27.3(6) . . . . ?
C126 C127 C130 C132 41.2(10) . . . . ?
C128 C127 C130 C132 147.7(7) . . . . ?
C126 C127 C130 C131 168.0(6) . . . . ?
C128 C127 C130 C131 -85.5(7) . . . . ?
