#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (mar 16 de feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/64/7006408.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_7006408
loop_
_publ_author_name
'Elhaïk, Jérôme'
'Kilner, Colin A.'
'Halcrow, Malcolm A.'
_publ_section_title
;
 Structural diversity in iron(II) complexes of
 2,6-di(pyrazol-1-yl)pyridine and 2,6-di(3-methylpyrazol-1-yl)pyridine.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              823
_journal_page_last               830
_journal_paper_doi               10.1039/b510370c
_journal_year                    2006
_chemical_formula_moiety
'C22 H18 Fe N10, 2[C4 H22 B18 Co], 0.75[C H3 N O2]'
_chemical_formula_sum            'C30.75 H64.25 B36 Co2 Fe N10.75 O1.5'
_chemical_formula_weight         1171.55
_chemical_name_systematic
;
Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) bis[di(dicarbollido)cobalt(III)]
nitromethane solvate (1/0.75)
;
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   37.3516(19)
_cell_length_b                   10.5840(6)
_cell_length_c                   29.5118(15)
_cell_measurement_reflns_used    105918
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.83
_cell_measurement_theta_min      1.09
_cell_volume                     11666.9(11)
_computing_cell_refinement       'APEX 2 software, Bruker Nonius 2004'
_computing_data_collection       'APEX 2 software, Bruker Nonius 2004'
_computing_data_reduction        'SAINT, Bruker Nonius 2004'
_computing_molecular_graphics    'ORTEX (McArdle, 1995)'
_computing_publication_material  'local program'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean '120 microns'
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker X8 Apex diffractometer'
_diffrn_measurement_method       'Rotation images'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0585
_diffrn_reflns_av_sigmaI/netI    0.0587
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            105918
_diffrn_reflns_theta_full        26.83
_diffrn_reflns_theta_max         26.83
_diffrn_reflns_theta_min         1.09
_exptl_absorpt_coefficient_mu    0.850
_exptl_absorpt_correction_T_max  1.008
_exptl_absorpt_correction_T_min  0.735
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Sheldrick, G. M. (2002). SADABS v. 2.03. University of
G/ottingen, Germany.
;
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             4768
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.182
_refine_diff_density_min         -0.826
_refine_diff_density_rms         0.132
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.49(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1477
_refine_ls_number_reflns         22460
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0973
_refine_ls_R_factor_gt           0.0765
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0746P)²+87.5581P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2015
_refine_ls_wR_factor_ref         0.2141
_reflns_number_gt                18112
_reflns_number_total             22460
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b510370c.txt
_cod_data_source_block           c:\datasets\leeds\mh143v~1\mh1431~1\mh143
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C30.75 H64.25 B36 Co2 Fe N10.75 O1.50'
_cod_database_code               7006408
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x+1/2, y, z+1/2'
'x+1/2, -y, 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
Fe1A Fe 0.94097(3) 0.29839(12) 0.21543(4) 0.0251(3) Uani 1 1 d . . .
N2A N 0.98492(19) 0.2706(7) 0.2475(3) 0.0326(18) Uani 1 1 d . . .
C3A C 1.0139(3) 0.2359(10) 0.2257(4) 0.043(3) Uani 1 1 d . . .
C4A C 1.0468(3) 0.2145(11) 0.2489(5) 0.055(3) Uani 1 1 d . . .
H4A H 1.0678 0.1894 0.2331 0.067 Uiso 1 1 calc R . .
C5A C 1.0469(3) 0.2306(12) 0.2920(6) 0.065(4) Uani 1 1 d . . .
H5A H 1.0688 0.2172 0.3076 0.078 Uiso 1 1 calc R . .
C6A C 1.0160(3) 0.2677(10) 0.3186(4) 0.044(3) Uani 1 1 d . . .
H6A H 1.0165 0.2760 0.3507 0.053 Uiso 1 1 calc R . .
C7A C 0.9851(2) 0.2904(9) 0.2926(4) 0.036(2) Uani 1 1 d . . .
N8A N 1.0070(2) 0.2296(8) 0.1774(4) 0.048(3) Uani 1 1 d . . .
N9A N 0.9733(2) 0.2533(7) 0.1641(3) 0.0321(17) Uani 1 1 d . . .
C10A C 0.9739(3) 0.2493(12) 0.1203(4) 0.054(3) Uani 1 1 d . . .
H10A H 0.9540 0.2663 0.1013 0.065 Uiso 1 1 calc R . .
C11A C 1.0092(3) 0.2155(16) 0.1042(5) 0.076(5) Uani 1 1 d . . .
H11A H 1.0168 0.2020 0.0739 0.091 Uiso 1 1 calc R . .
C12A C 1.0285(3) 0.2077(13) 0.1413(6) 0.079(5) Uani 1 1 d . . .
H12A H 1.0534 0.1898 0.1425 0.094 Uiso 1 1 calc R . .
N13A N 0.9515(2) 0.3262(7) 0.3097(3) 0.0319(17) Uani 1 1 d . . .
N14A N 0.92498(19) 0.3387(7) 0.2779(2) 0.0272(16) Uani 1 1 d . . .
C15A C 0.8962(3) 0.3799(9) 0.3009(3) 0.033(2) Uani 1 1 d . . .
H15A H 0.8737 0.4010 0.2879 0.040 Uiso 1 1 calc R . .
C16A C 0.9044(3) 0.3866(10) 0.3465(3) 0.040(2) Uani 1 1 d . . .
H16A H 0.8886 0.4106 0.3702 0.048 Uiso 1 1 calc R . .
C17A C 0.9392(3) 0.3525(10) 0.3511(3) 0.046(3) Uani 1 1 d . . .
H17A H 0.9524 0.3481 0.3786 0.055 Uiso 1 1 calc R . .
N18A N 0.89629(19) 0.3232(8) 0.1848(2) 0.0298(17) Uani 1 1 d . . .
C19A C 0.8724(2) 0.2289(10) 0.1832(3) 0.035(2) Uani 1 1 d . . .
C20A C 0.8385(2) 0.2442(12) 0.1624(3) 0.044(3) Uani 1 1 d . . .
H20A H 0.8218 0.1765 0.1609 0.052 Uiso 1 1 calc R . .
C21A C 0.8307(3) 0.3593(16) 0.1445(4) 0.066(4) Uani 1 1 d . . .
H21A H 0.8083 0.3720 0.1298 0.080 Uiso 1 1 calc R . .
C22A C 0.8551(4) 0.4597(17) 0.1473(4) 0.076(5) Uani 1 1 d . . .
H22A H 0.8497 0.5409 0.1354 0.091 Uiso 1 1 calc R . .
C23A C 0.8871(3) 0.4345(10) 0.1681(3) 0.038(2) Uani 1 1 d . . .
N24A N 0.8867(2) 0.1178(8) 0.2020(2) 0.0351(19) Uani 1 1 d . . .
N25A N 0.92102(19) 0.1279(7) 0.2205(2) 0.0301(17) Uani 1 1 d . . .
C26A C 0.9284(3) 0.0093(9) 0.2349(3) 0.037(2) Uani 1 1 d . . .
H26A H 0.9509 -0.0157 0.2467 0.045 Uiso 1 1 calc R . .
C27A C 0.8990(3) -0.0731(10) 0.2305(4) 0.054(3) Uani 1 1 d . . .
H27A H 0.8971 -0.1582 0.2404 0.065 Uiso 1 1 calc R . .
C28A C 0.8727(3) 0.0013(11) 0.2075(4) 0.045(3) Uani 1 1 d . . .
H28A H 0.8497 -0.0261 0.1979 0.054 Uiso 1 1 calc R . .
N29A N 0.9155(2) 0.5224(8) 0.1759(2) 0.039(2) Uani 1 1 d . . .
N30A N 0.9451(2) 0.4793(7) 0.1992(2) 0.0325(17) Uani 1 1 d . . .
C31A C 0.9663(3) 0.5778(10) 0.2034(4) 0.052(3) Uani 1 1 d . . .
H31A H 0.9888 0.5756 0.2185 0.063 Uiso 1 1 calc R . .
C32A C 0.9515(4) 0.6908(11) 0.1825(4) 0.061(4) Uani 1 1 d . . .
H32A H 0.9617 0.7729 0.1812 0.073 Uiso 1 1 calc R . .
C33A C 0.9198(5) 0.6521(12) 0.1653(4) 0.071(5) Uani 1 1 d . . .
H33A H 0.9033 0.7030 0.1490 0.086 Uiso 1 1 calc R . .
Fe1B Fe 0.79398(3) 0.22987(12) 0.45117(4) 0.0264(3) Uani 1 1 d . . .
N2B N 0.8469(2) 0.2145(9) 0.4806(2) 0.0349(19) Uani 1 1 d . . .
C3B C 0.8581(3) 0.0997(12) 0.4957(3) 0.046(3) Uani 1 1 d . . .
C4B C 0.8931(3) 0.0753(13) 0.5100(3) 0.051(3) Uani 1 1 d . . .
H4B H 0.9001 -0.0027 0.5231 0.062 Uiso 1 1 calc R . .
C5B C 0.9163(3) 0.1741(13) 0.5034(4) 0.061(3) Uani 1 1 d . . .
H5B H 0.9406 0.1614 0.5116 0.074 Uiso 1 1 calc R . .
C6B C 0.9070(3) 0.2918(14) 0.4854(4) 0.055(3) Uani 1 1 d . . .
H6B H 0.9236 0.3584 0.4806 0.066 Uiso 1 1 calc R . .
C7B C 0.8706(2) 0.3004(13) 0.4754(3) 0.045(3) Uani 1 1 d . . .
N8B N 0.8303(2) 0.0103(9) 0.4975(2) 0.042(2) Uani 1 1 d . . .
N9B N 0.7962(2) 0.0399(9) 0.4815(3) 0.045(2) Uani 1 1 d . . .
C10B C 0.7751(4) -0.0649(13) 0.4844(4) 0.071(4) Uani 1 1 d . . .
H10B H 0.7507 -0.0725 0.4759 0.085 Uiso 1 1 calc R . .
C11B C 0.7981(4) -0.1630(11) 0.5031(4) 0.058(3) Uani 1 1 d . . .
H11B H 0.7913 -0.2477 0.5091 0.069 Uiso 1 1 calc R . .
C12B C 0.8304(4) -0.1140(12) 0.5105(4) 0.064(4) Uani 1 1 d . . .
H12B H 0.8503 -0.1580 0.5228 0.077 Uiso 1 1 calc R . .
N13B N 0.8559(2) 0.4123(9) 0.4593(3) 0.040(2) Uani 1 1 d . . .
N14B N 0.8195(2) 0.4139(8) 0.4476(3) 0.0342(17) Uani 1 1 d . . .
C15B C 0.8122(3) 0.5285(12) 0.4339(4) 0.053(3) Uani 1 1 d . . .
H15B H 0.7891 0.5556 0.4246 0.064 Uiso 1 1 calc R . .
C16B C 0.8438(3) 0.6101(12) 0.4346(3) 0.048(3) Uani 1 1 d . . .
H16B H 0.8457 0.6960 0.4256 0.057 Uiso 1 1 calc R . .
C17B C 0.8688(3) 0.5362(12) 0.4507(4) 0.049(3) Uani 1 1 d . . .
H17B H 0.8928 0.5623 0.4560 0.059 Uiso 1 1 calc R . .
N18B N 0.75320(18) 0.2454(6) 0.4011(2) 0.0193(13) Uani 1 1 d . . .
C19B C 0.7206(2) 0.2893(8) 0.4117(3) 0.0254(18) Uani 1 1 d . . .
C20B C 0.6922(2) 0.2886(9) 0.3832(3) 0.0301(19) Uani 1 1 d . . .
H20B H 0.6691 0.3127 0.3935 0.036 Uiso 1 1 calc R . .
C21B C 0.6978(2) 0.2517(8) 0.3386(3) 0.0277(19) Uani 1 1 d . . .
H21B H 0.6785 0.2528 0.3177 0.033 Uiso 1 1 calc R . .
C22B C 0.7316(2) 0.2133(9) 0.3246(3) 0.0270(18) Uani 1 1 d . . .
H22B H 0.7363 0.1900 0.2941 0.032 Uiso 1 1 calc R . .
C23B C 0.7579(2) 0.2111(9) 0.3577(3) 0.0259(18) Uani 1 1 d . . .
N24B N 0.71856(18) 0.3299(7) 0.4581(2) 0.0248(15) Uani 1 1 d . . .
N25B N 0.74734(19) 0.3071(8) 0.4859(3) 0.0326(17) Uani 1 1 d . . .
C26B C 0.7382(3) 0.3650(10) 0.5249(3) 0.040(2) Uani 1 1 d . . .
H26B H 0.7527 0.3646 0.5513 0.048 Uiso 1 1 calc R . .
C27B C 0.7054(3) 0.4252(10) 0.5221(3) 0.043(2) Uani 1 1 d . . .
H27B H 0.6937 0.4720 0.5452 0.051 Uiso 1 1 calc R . .
C28B C 0.6932(2) 0.4026(10) 0.4785(3) 0.040(2) Uani 1 1 d . . .
H28B H 0.6715 0.4320 0.4654 0.048 Uiso 1 1 calc R . .
N29B N 0.79418(17) 0.1726(7) 0.3495(2) 0.0245(15) Uani 1 1 d . . .
N30B N 0.8172(2) 0.1620(8) 0.3859(3) 0.0342(18) Uani 1 1 d . . .
C31B C 0.8480(2) 0.1228(10) 0.3679(3) 0.033(2) Uani 1 1 d . . .
H31B H 0.8689 0.1051 0.3852 0.040 Uiso 1 1 calc R . .
C32B C 0.8463(3) 0.1104(9) 0.3207(3) 0.035(2) Uani 1 1 d . . .
H32B H 0.8649 0.0870 0.3006 0.042 Uiso 1 1 calc R . .
C33B C 0.8106(2) 0.1406(9) 0.3099(3) 0.0303(19) Uani 1 1 d . . .
H33B H 0.8000 0.1391 0.2807 0.036 Uiso 1 1 calc R . .
Co34 Co 0.73590(3) -0.29495(11) 0.31029(3) 0.0217(2) Uani 1 1 d . . .
C35 C 0.7556(2) -0.4255(9) 0.2651(3) 0.0262(18) Uani 1 1 d . . .
H35 H 0.7328 -0.4877 0.2546 0.031 Uiso 1 1 calc R . .
C36 C 0.7590(2) -0.2768(9) 0.2478(3) 0.0268(19) Uani 1 1 d . . .
H36 H 0.7383 -0.2327 0.2253 0.032 Uiso 1 1 calc R . .
B37 B 0.7790(3) -0.1826(10) 0.2872(3) 0.028(2) Uani 1 1 d . . .
H37 H 0.7741 -0.0792 0.2921 0.033 Uiso 1 1 calc R . .
B38 B 0.7895(2) -0.2887(11) 0.3346(3) 0.028(2) Uani 1 1 d . . .
H38 H 0.7919 -0.2575 0.3708 0.033 Uiso 1 1 calc R . .
B39 B 0.7728(2) -0.4437(10) 0.3185(3) 0.029(2) Uani 1 1 d . . .
H39 H 0.7636 -0.5142 0.3443 0.035 Uiso 1 1 calc R . .
B40 B 0.7870(3) -0.3906(12) 0.2227(3) 0.037(3) Uani 1 1 d . . .
H40 H 0.7856 -0.4236 0.1866 0.044 Uiso 1 1 calc R . .
B41 B 0.8018(3) -0.2376(12) 0.2369(4) 0.036(3) Uani 1 1 d . . .
H41 H 0.8103 -0.1712 0.2094 0.043 Uiso 1 1 calc R . .
B42 B 0.8232(3) -0.2429(12) 0.2930(3) 0.031(2) Uani 1 1 d . . .
H42 H 0.8461 -0.1800 0.3027 0.038 Uiso 1 1 calc R . .
B43 B 0.8187(3) -0.4069(11) 0.3109(4) 0.034(2) Uani 1 1 d . . .
H43 H 0.8394 -0.4527 0.3329 0.041 Uiso 1 1 calc R . .
B44 B 0.7971(2) -0.4955(10) 0.2683(3) 0.025(2) Uani 1 1 d . . .
H44 H 0.8026 -0.5979 0.2617 0.030 Uiso 1 1 calc R . .
B45 B 0.8285(3) -0.3754(12) 0.2528(3) 0.033(2) Uani 1 1 d . . .
H45 H 0.8551 -0.3979 0.2372 0.040 Uiso 1 1 calc R . .
C46 C 0.6834(2) -0.2766(9) 0.2893(3) 0.0253(18) Uani 1 1 d . . .
H46 H 0.6831 -0.2943 0.2519 0.030 Uiso 1 1 calc R . .
C47 C 0.6999(2) -0.1482(8) 0.3096(3) 0.0280(18) Uani 1 1 d . . .
H47 H 0.7109 -0.0733 0.2868 0.034 Uiso 1 1 calc R . .
B48 B 0.7199(3) -0.1691(10) 0.3618(4) 0.031(2) Uani 1 1 d . . .
H48 H 0.7429 -0.1136 0.3759 0.037 Uiso 1 1 calc R . .
B49 B 0.7128(3) -0.3366(10) 0.3742(3) 0.027(2) Uani 1 1 d . . .
H49 H 0.7310 -0.3922 0.3969 0.033 Uiso 1 1 calc R . .
B50 B 0.6895(2) -0.4017(10) 0.3249(3) 0.026(2) Uani 1 1 d . . .
H50 H 0.6925 -0.5028 0.3143 0.031 Uiso 1 1 calc R . .
B51 B 0.6541(3) -0.1666(10) 0.3081(4) 0.033(2) Uani 1 1 d . . .
H51 H 0.6353 -0.1120 0.2861 0.040 Uiso 1 1 calc R . .
B52 B 0.6769(3) -0.0980(10) 0.3553(4) 0.032(2) Uani 1 1 d . . .
H52 H 0.6732 0.0038 0.3646 0.039 Uiso 1 1 calc R . .
B53 B 0.6823(3) -0.2202(10) 0.3968(3) 0.031(2) Uani 1 1 d . . .
H53 H 0.6814 -0.2009 0.4341 0.037 Uiso 1 1 calc R . .
B54 B 0.6646(3) -0.3618(11) 0.3739(4) 0.038(3) Uani 1 1 d . . .
H54 H 0.6522 -0.4366 0.3958 0.046 Uiso 1 1 calc R . .
B55 B 0.6476(2) -0.3245(10) 0.3194(4) 0.029(2) Uani 1 1 d . . .
H55 H 0.6239 -0.3749 0.3047 0.035 Uiso 1 1 calc R . .
B56 B 0.6427(2) -0.2138(11) 0.3639(3) 0.031(2) Uani 1 1 d . . .
H56 H 0.6163 -0.1896 0.3795 0.037 Uiso 1 1 calc R . .
Co57 Co 0.66697(3) 0.35916(11) 0.14765(4) 0.0222(2) Uani 1 1 d . . .
C58 C 0.6375(2) 0.4966(9) 0.1809(3) 0.029(2) Uani 1 1 d . . .
H58 H 0.6355 0.4671 0.2172 0.034 Uiso 1 1 calc R . .
C59 C 0.6156(2) 0.4235(9) 0.1425(3) 0.037(2) Uani 1 1 d . . .
H59 H 0.5978 0.3417 0.1511 0.044 Uiso 1 1 calc R . .
B60 B 0.6389(3) 0.4273(12) 0.0911(4) 0.038(3) Uani 1 1 d . . .
H60 H 0.6375 0.3547 0.0636 0.045 Uiso 1 1 calc R . .
B61 B 0.6793(3) 0.5088(11) 0.1029(3) 0.033(2) Uani 1 1 d . . .
H61 H 0.7050 0.4938 0.0840 0.040 Uiso 1 1 calc R . .
B62 B 0.6774(3) 0.5493(11) 0.1632(4) 0.034(2) Uani 1 1 d . . .
H62 H 0.7020 0.5594 0.1846 0.041 Uiso 1 1 calc R . .
B63 B 0.6004(3) 0.5700(11) 0.1592(4) 0.034(2) Uani 1 1 d . . .
H63 H 0.5747 0.5873 0.1776 0.041 Uiso 1 1 calc R . .
B64 B 0.6012(3) 0.5290(13) 0.1013(4) 0.045(3) Uani 1 1 d . . .
H64 H 0.5757 0.5196 0.0816 0.054 Uiso 1 1 calc R . .
B65 B 0.6413(4) 0.5869(12) 0.0770(4) 0.042(3) Uani 1 1 d . . .
H65 H 0.6425 0.6179 0.0407 0.051 Uiso 1 1 calc R . .
B66 B 0.6648(3) 0.6658(10) 0.1212(4) 0.033(2) Uani 1 1 d . . .
H66 H 0.6819 0.7505 0.1145 0.040 Uiso 1 1 calc R . .
B67 B 0.6390(3) 0.6528(11) 0.1719(4) 0.035(2) Uani 1 1 d . . .
H67 H 0.6388 0.7264 0.1992 0.042 Uiso 1 1 calc R . .
B68 B 0.6182(3) 0.6787(10) 0.1189(3) 0.029(2) Uani 1 1 d . . .
H68 H 0.6048 0.7703 0.1102 0.035 Uiso 1 1 calc R . .
C69 C 0.6588(2) 0.2021(9) 0.1891(3) 0.0275(18) Uani 1 1 d . . .
H69 H 0.6332 0.2192 0.2077 0.033 Uiso 1 1 calc R . .
C70 C 0.6605(2) 0.1623(8) 0.1370(2) 0.0221(17) Uani 1 1 d U . .
H70 H 0.6349 0.1472 0.1180 0.027 Uiso 1 1 calc R . .
B71 B 0.6961(3) 0.2325(9) 0.1075(3) 0.028(2) Uani 1 1 d . . .
H71 H 0.6972 0.2650 0.0714 0.033 Uiso 1 1 calc R . .
B72 B 0.7206(3) 0.3085(11) 0.1535(3) 0.032(2) Uani 1 1 d . . .
H72 H 0.7392 0.3900 0.1479 0.038 Uiso 1 1 calc R . .
B73 B 0.6946(3) 0.2912(10) 0.2042(3) 0.027(2) Uani 1 1 d . . .
H73 H 0.6954 0.3632 0.2320 0.033 Uiso 1 1 calc R . .
B74 B 0.6668(3) 0.0460(11) 0.1728(4) 0.040(3) Uani 1 1 d . . .
H74 H 0.6486 -0.0368 0.1784 0.048 Uiso 1 1 calc R . .
B75 B 0.6922(3) 0.0647(11) 0.1225(4) 0.040(3) Uani 1 1 d . . .
H75 H 0.6908 -0.0080 0.0950 0.048 Uiso 1 1 calc R . .
B76 B 0.7324(3) 0.1481(12) 0.1345(4) 0.039(3) Uani 1 1 d . . .
H76 H 0.7578 0.1288 0.1155 0.046 Uiso 1 1 calc R . .
B77 B 0.7313(3) 0.1836(11) 0.1946(3) 0.035(2) Uani 1 1 d . . .
H77 H 0.7564 0.1873 0.2153 0.041 Uiso 1 1 calc R . .
B78 B 0.6905(3) 0.1249(10) 0.2174(4) 0.032(2) Uani 1 1 d . . .
H78 H 0.6878 0.0920 0.2533 0.039 Uiso 1 1 calc R . .
B79 B 0.7148(3) 0.0367(12) 0.1760(4) 0.040(3) Uani 1 1 d . . .
H79 H 0.7289 -0.0535 0.1845 0.048 Uiso 1 1 calc R . .
Co80 Co 0.58287(3) -0.14669(11) 0.50590(4) 0.0226(2) Uani 1 1 d . . .
C81 C 0.6162(3) -0.0182(10) 0.4734(3) 0.035(2) Uani 1 1 d . . .
H81 H 0.6213 -0.0545 0.4383 0.042 Uiso 1 1 calc R . .
C82 C 0.6346(2) -0.0830(9) 0.5179(3) 0.032(2) Uani 1 1 d . . .
H82 H 0.6529 -0.1664 0.5147 0.038 Uiso 1 1 calc R . .
B83 B 0.6074(3) -0.0762(10) 0.5656(3) 0.027(2) Uani 1 1 d . . .
H83 H 0.6067 -0.1456 0.5942 0.032 Uiso 1 1 calc R . .
B84 B 0.5682(3) 0.0082(10) 0.5459(3) 0.028(2) Uani 1 1 d . . .
H84 H 0.5413 -0.0041 0.5619 0.034 Uiso 1 1 calc R . .
B85 B 0.5741(3) 0.0406(10) 0.4859(3) 0.030(2) Uani 1 1 d . . .
H85 H 0.5511 0.0492 0.4617 0.036 Uiso 1 1 calc R . .
B86 B 0.6522(4) 0.0579(12) 0.4980(5) 0.048(3) Uani 1 1 d . . .
H86 H 0.6792 0.0713 0.4821 0.058 Uiso 1 1 calc R . .
B87 B 0.6462(3) 0.0261(11) 0.5574(4) 0.035(2) Uani 1 1 d . . .
H87 H 0.6700 0.0203 0.5803 0.042 Uiso 1 1 calc R . .
B88 B 0.6033(3) 0.0887(11) 0.5752(3) 0.035(3) Uani 1 1 d . . .
H88 H 0.5989 0.1258 0.6103 0.042 Uiso 1 1 calc R . .
B89 B 0.5831(3) 0.1615(10) 0.5267(4) 0.035(3) Uani 1 1 d . . .
H89 H 0.5654 0.2467 0.5297 0.042 Uiso 1 1 calc R . .
B90 B 0.6134(3) 0.1391(11) 0.4795(3) 0.033(2) Uani 1 1 d . . .
H90 H 0.6156 0.2083 0.4509 0.040 Uiso 1 1 calc R . .
B91 B 0.6309(4) 0.1728(13) 0.5345(4) 0.046(3) Uani 1 1 d . . .
H91 H 0.6441 0.2648 0.5430 0.056 Uiso 1 1 calc R . .
C92 C 0.5930(2) -0.3035(8) 0.4663(3) 0.0300(19) Uani 1 1 d . . .
H92 H 0.6195 -0.2872 0.4495 0.036 Uiso 1 1 calc R . .
C93 C 0.5891(2) -0.3385(8) 0.5186(3) 0.032(2) Uani 1 1 d . . .
H93 H 0.6137 -0.3521 0.5398 0.038 Uiso 1 1 calc R . .
B94 B 0.5525(2) -0.2699(10) 0.5427(4) 0.029(2) Uani 1 1 d . . .
H94 H 0.5503 -0.2327 0.5781 0.034 Uiso 1 1 calc R . .
B95 B 0.5280(3) -0.2034(11) 0.4965(4) 0.034(2) Uani 1 1 d . . .
H95 H 0.5078 -0.1257 0.5004 0.041 Uiso 1 1 calc R . .
B96 B 0.5564(3) -0.2166(11) 0.4488(3) 0.032(2) Uani 1 1 d . . .
H96 H 0.5565 -0.1442 0.4211 0.039 Uiso 1 1 calc R . .
B97 B 0.5841(3) -0.4579(12) 0.4814(3) 0.036(2) Uani 1 1 d . . .
H97 H 0.6025 -0.5401 0.4761 0.043 Uiso 1 1 calc R . .
B98 B 0.5564(3) -0.4351(11) 0.5319(4) 0.039(3) Uani 1 1 d . . .
H98 H 0.5568 -0.5043 0.5606 0.046 Uiso 1 1 calc R . .
B99 B 0.5164(3) -0.3553(12) 0.5162(4) 0.039(3) Uani 1 1 d . . .
H99 H 0.4904 -0.3740 0.5338 0.047 Uiso 1 1 calc R . .
B100 B 0.5205(3) -0.3212(12) 0.4560(4) 0.040(3) Uani 1 1 d . . .
H100 H 0.4968 -0.3166 0.4329 0.048 Uiso 1 1 calc R . .
B101 B 0.5609(3) -0.3847(11) 0.4363(4) 0.038(3) Uani 1 1 d . . .
H101 H 0.5642 -0.4211 0.4010 0.045 Uiso 1 1 calc R . .
B102 B 0.5361(3) -0.4687(14) 0.4776(4) 0.046(3) Uani 1 1 d . . .
H102 H 0.5224 -0.5605 0.4700 0.056 Uiso 1 1 calc R . .
Co10 Co 0.50924(3) 0.20530(11) 0.35148(4) 0.0220(2) Uani 1 1 d . . .
C104 C 0.5461(2) 0.3471(8) 0.3520(3) 0.0254(17) Uani 1 1 d . . .
H104 H 0.5372 0.4166 0.3783 0.031 Uiso 1 1 calc R . .
C105 C 0.5624(2) 0.2123(9) 0.3660(3) 0.0270(18) Uani 1 1 d . . .
H105 H 0.5649 0.1849 0.4025 0.032 Uiso 1 1 calc R . .
B106 B 0.5527(3) 0.0973(9) 0.3278(3) 0.028(2) Uani 1 1 d . . .
H106 H 0.5494 -0.0058 0.3351 0.033 Uiso 1 1 calc R . .
B107 B 0.5271(3) 0.1754(11) 0.2849(4) 0.032(2) Uani 1 1 d . . .
H107 H 0.5069 0.1255 0.2633 0.039 Uiso 1 1 calc R . .
B108 B 0.5226(2) 0.3402(10) 0.3025(3) 0.025(2) Uani 1 1 d . . .
H108 H 0.4992 0.4004 0.2927 0.030 Uiso 1 1 calc R . .
B109 B 0.5923(2) 0.3277(9) 0.3474(3) 0.0216(19) Uani 1 1 d . . .
H109 H 0.6132 0.3764 0.3682 0.026 Uiso 1 1 calc R . .
B110 B 0.5961(2) 0.1674(9) 0.3316(4) 0.029(2) Uani 1 1 d . . .
H110 H 0.6199 0.1104 0.3423 0.035 Uiso 1 1 calc R . .
B111 B 0.5744(3) 0.1474(11) 0.2779(3) 0.031(2) Uani 1 1 d . . .
H111 H 0.5843 0.0782 0.2520 0.037 Uiso 1 1 calc R . .
B112 B 0.5562(3) 0.2989(11) 0.2620(4) 0.033(2) Uani 1 1 d . . .
H112 H 0.5540 0.3296 0.2258 0.040 Uiso 1 1 calc R . .
B113 B 0.5669(3) 0.4071(11) 0.3064(4) 0.035(2) Uani 1 1 d . . .
H113 H 0.5714 0.5103 0.3002 0.042 Uiso 1 1 calc R . .
B114 B 0.5990(3) 0.2912(10) 0.2903(4) 0.031(2) Uani 1 1 d . . .
H114 H 0.6246 0.3157 0.2726 0.037 Uiso 1 1 calc R . .
C115 C 0.4893(2) 0.2182(8) 0.4157(3) 0.0251(18) Uani 1 1 d . . .
H115 H 0.5116 0.2579 0.4368 0.030 Uiso 1 1 calc R . .
C116 C 0.4914(2) 0.0746(9) 0.3976(3) 0.0290(19) Uani 1 1 d . . .
H116 H 0.5145 0.0114 0.4060 0.035 Uiso 1 1 calc R . .
B117 B 0.4715(2) 0.0585(8) 0.3456(3) 0.0237(19) Uani 1 1 d . . .
H117 H 0.4793 -0.0116 0.3189 0.028 Uiso 1 1 calc R . .
B118 B 0.4547(2) 0.2200(10) 0.3329(3) 0.026(2) Uani 1 1 d . . .
H118 H 0.4506 0.2576 0.2978 0.031 Uiso 1 1 calc R . .
B119 B 0.4682(3) 0.3193(10) 0.3801(4) 0.028(2) Uani 1 1 d . . .
H119 H 0.4735 0.4229 0.3766 0.034 Uiso 1 1 calc R . .
B120 B 0.4621(3) 0.1080(11) 0.4424(4) 0.034(2) Uani 1 1 d . . .
H120 H 0.4650 0.0735 0.4781 0.040 Uiso 1 1 calc R . .
B121 B 0.4490(3) 0.0080(12) 0.3965(4) 0.035(2) Uani 1 1 d . . .
H121 H 0.4429 -0.0943 0.4025 0.042 Uiso 1 1 calc R . .
B122 B 0.4258(3) 0.0960(11) 0.3565(4) 0.035(2) Uani 1 1 d . . .
H122 H 0.4041 0.0524 0.3355 0.043 Uiso 1 1 calc R . .
B123 B 0.4242(2) 0.2585(11) 0.3777(3) 0.028(2) Uani 1 1 d . . .
H123 H 0.4010 0.3230 0.3711 0.034 Uiso 1 1 calc R . .
B124 B 0.4476(3) 0.2585(10) 0.4300(3) 0.027(2) Uani 1 1 d . . .
H124 H 0.4406 0.3234 0.4586 0.032 Uiso 1 1 calc R . .
B125 B 0.4200(3) 0.1261(11) 0.4157(4) 0.032(2) Uani 1 1 d . . .
H125 H 0.3942 0.1040 0.4333 0.039 Uiso 1 1 calc R . .
C126 C 0.7657(4) -0.2094(15) 0.1062(4) 0.059(4) Uani 0.90 1 d P . .
H12C H 0.7502 -0.2796 0.1155 0.089 Uiso 0.90 1 calc PR . .
H12D H 0.7513 -0.1456 0.0904 0.089 Uiso 0.90 1 calc PR . .
H12E H 0.7768 -0.1715 0.1330 0.089 Uiso 0.90 1 calc PR . .
N127 N 0.7930(3) -0.2554(9) 0.0765(4) 0.048(2) Uani 0.90 1 d P . .
O128 O 0.7889(3) -0.2429(10) 0.0327(3) 0.060(3) Uani 0.90 1 d P . .
O129 O 0.8183(3) -0.3058(10) 0.0893(4) 0.069(3) Uani 0.90 1 d P . .
C130 C 0.5286(7) 0.199(3) 0.1142(9) 0.085(8) Uiso 0.60 1 d P . .
H13A H 0.5033 0.2119 0.1218 0.128 Uiso 0.60 1 calc PR . .
H13B H 0.5306 0.1726 0.0825 0.128 Uiso 0.60 1 calc PR . .
H13C H 0.5416 0.2789 0.1184 0.128 Uiso 0.60 1 calc PR . .
N131 N 0.5420(4) 0.1139(16) 0.1400(6) 0.055(4) Uiso 0.60 1 d P . .
O132 O 0.5712(5) 0.0837(17) 0.1372(6) 0.081(5) Uiso 0.60 1 d P . .
O133 O 0.5191(4) 0.0754(16) 0.1669(6) 0.077(4) Uiso 0.60 1 d P . .
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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'
O O 0.0106 0.0060 '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'
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
N18A Fe1A N2A 178.3(3) . . ?
N18A Fe1A N25A 80.2(3) . . ?
N2A Fe1A N25A 98.5(3) . . ?
N18A Fe1A N30A 79.7(3) . . ?
N2A Fe1A N30A 101.6(3) . . ?
N25A Fe1A N30A 160.0(3) . . ?
N18A Fe1A N14A 98.5(3) . . ?
N2A Fe1A N14A 80.4(3) . . ?
N25A Fe1A N14A 90.8(3) . . ?
N30A Fe1A N14A 92.3(3) . . ?
N18A Fe1A N9A 101.6(3) . . ?
N2A Fe1A N9A 79.6(4) . . ?
N25A Fe1A N9A 93.9(3) . . ?
N30A Fe1A N9A 90.0(3) . . ?
N14A Fe1A N9A 159.9(3) . . ?
C3A N2A C7A 121.6(8) . . ?
C3A N2A Fe1A 120.6(7) . . ?
C7A N2A Fe1A 117.8(6) . . ?
N2A C3A C4A 121.5(11) . . ?
N2A C3A N8A 110.3(8) . . ?
C4A C3A N8A 128.1(11) . . ?
C5A C4A C3A 117.1(12) . . ?
C4A C5A C6A 124.8(10) . . ?
C7A C6A C5A 113.9(10) . . ?
N2A C7A N13A 113.1(7) . . ?
N2A C7A C6A 121.0(10) . . ?
N13A C7A C6A 125.8(10) . . ?
N9A N8A C12A 110.8(11) . . ?
N9A N8A C3A 116.6(8) . . ?
C12A N8A C3A 132.5(11) . . ?
C10A N9A N8A 105.7(9) . . ?
C10A N9A Fe1A 141.1(8) . . ?
N8A N9A Fe1A 112.8(6) . . ?
N9A C10A C11A 110.6(12) . . ?
C12A C11A C10A 104.1(11) . . ?
C11A C12A N8A 108.7(12) . . ?
C17A N13A N14A 111.0(8) . . ?
C17A N13A C7A 133.8(9) . . ?
N14A N13A C7A 115.2(7) . . ?
C15A N14A N13A 105.2(7) . . ?
C15A N14A Fe1A 141.3(6) . . ?
N13A N14A Fe1A 113.5(6) . . ?
N14A C15A C16A 109.5(9) . . ?
C17A C16A C15A 107.1(9) . . ?
N13A C17A C16A 107.1(8) . . ?
C23A N18A C19A 118.5(8) . . ?
C23A N18A Fe1A 121.6(7) . . ?
C19A N18A Fe1A 119.7(6) . . ?
N18A C19A N24A 110.8(7) . . ?
N18A C19A C20A 121.7(10) . . ?
N24A C19A C20A 127.4(10) . . ?
C21A C20A C19A 117.6(11) . . ?
C20A C21A C22A 121.1(10) . . ?
C23A C22A C21A 116.5(13) . . ?
N18A C23A C22A 124.5(12) . . ?
N18A C23A N29A 109.1(8) . . ?
C22A C23A N29A 126.4(12) . . ?
C28A N24A N25A 112.3(9) . . ?
C28A N24A C19A 131.6(9) . . ?
N25A N24A C19A 116.0(8) . . ?
C26A N25A N24A 103.7(8) . . ?
C26A N25A Fe1A 143.3(7) . . ?
N24A N25A Fe1A 113.0(6) . . ?
N25A C26A C27A 112.7(10) . . ?
C26A C27A C28A 103.9(9) . . ?
N24A C28A C27A 107.0(9) . . ?
N30A N29A C33A 109.8(10) . . ?
N30A N29A C23A 117.4(8) . . ?
C33A N29A C23A 132.8(10) . . ?
C31A N30A N29A 105.5(9) . . ?
C31A N30A Fe1A 142.3(8) . . ?
N29A N30A Fe1A 112.2(6) . . ?
N30A C31A C32A 112.5(11) . . ?
C33A C32A C31A 104.1(10) . . ?
C32A C33A N29A 108.2(11) . . ?
N18B Fe1B N2B 159.6(3) . . ?
N18B Fe1B N14B 102.2(3) . . ?
N2B Fe1B N14B 71.7(3) . . ?
N18B Fe1B N25B 74.1(3) . . ?
N2B Fe1B N25B 124.7(3) . . ?
N14B Fe1B N25B 92.2(3) . . ?
N18B Fe1B N9B 112.3(3) . . ?
N2B Fe1B N9B 74.6(3) . . ?
N14B Fe1B N9B 145.3(3) . . ?
N25B Fe1B N9B 100.4(3) . . ?
N18B Fe1B N30B 72.8(3) . . ?
N2B Fe1B N30B 88.1(3) . . ?
N14B Fe1B N30B 94.3(3) . . ?
N25B Fe1B N30B 146.9(3) . . ?
N9B Fe1B N30B 92.4(3) . . ?
C7B N2B C3B 117.3(10) . . ?
C7B N2B Fe1B 122.1(7) . . ?
C3B N2B Fe1B 118.8(7) . . ?
N2B C3B C4B 123.6(12) . . ?
N2B C3B N8B 112.6(9) . . ?
C4B C3B N8B 123.7(11) . . ?
C5B C4B C3B 114.1(12) . . ?
C4B C5B C6B 125.2(11) . . ?
C7B C6B C5B 112.3(12) . . ?
N2B C7B N13B 111.8(8) . . ?
N2B C7B C6B 127.2(13) . . ?
N13B C7B C6B 120.9(11) . . ?
C12B N8B N9B 108.2(10) . . ?
C12B N8B C3B 130.9(10) . . ?
N9B N8B C3B 120.7(8) . . ?
C10B N9B N8B 108.9(10) . . ?
C10B N9B Fe1B 138.3(8) . . ?
N8B N9B Fe1B 112.1(7) . . ?
N9B C10B C11B 105.2(12) . . ?
C12B C11B C10B 108.6(12) . . ?
C11B C12B N8B 109.1(12) . . ?
C7B N13B N14B 118.6(8) . . ?
C7B N13B C17B 135.5(9) . . ?
N14B N13B C17B 105.8(9) . . ?
C15B N14B N13B 107.0(9) . . ?
C15B N14B Fe1B 139.0(7) . . ?
N13B N14B Fe1B 113.7(6) . . ?
N14B C15B C16B 111.9(11) . . ?
C17B C16B C15B 103.2(11) . . ?
C16B C17B N13B 112.0(9) . . ?
C19B N18B C23B 115.9(7) . . ?
C19B N18B Fe1B 120.9(5) . . ?
C23B N18B Fe1B 123.2(5) . . ?
N18B C19B C20B 124.4(8) . . ?
N18B C19B N24B 112.0(7) . . ?
C20B C19B N24B 123.5(8) . . ?
C19B C20B C21B 118.2(8) . . ?
C20B C21B C22B 120.1(7) . . ?
C23B C22B C21B 116.1(7) . . ?
N18B C23B C22B 124.9(7) . . ?
N18B C23B N29B 111.1(7) . . ?
C22B C23B N29B 123.9(7) . . ?
C28B N24B N25B 112.4(7) . . ?
C28B N24B C19B 128.8(7) . . ?
N25B N24B C19B 118.4(6) . . ?
C26B N25B N24B 103.4(7) . . ?
C26B N25B Fe1B 140.8(6) . . ?
N24B N25B Fe1B 114.3(5) . . ?
N25B C26B C27B 112.5(9) . . ?
C26B C27B C28B 105.5(8) . . ?
N24B C28B C27B 106.2(8) . . ?
C33B N29B N30B 111.6(7) . . ?
C33B N29B C23B 129.6(7) . . ?
N30B N29B C23B 118.8(7) . . ?
C31B N30B N29B 104.7(7) . . ?
C31B N30B Fe1B 141.3(6) . . ?
N29B N30B Fe1B 113.7(5) . . ?
N30B C31B C32B 112.6(8) . . ?
C31B C32B C33B 104.4(8) . . ?
N29B C33B C32B 106.7(8) . . ?
C36 Co34 C47 101.3(4) . . ?
C36 Co34 C35 47.7(3) . . ?
C47 Co34 C35 137.4(4) . . ?
C36 Co34 C46 96.9(3) . . ?
C47 Co34 C46 46.0(3) . . ?
C35 Co34 C46 102.0(3) . . ?
C36 Co34 B48 135.3(4) . . ?
C47 Co34 B48 49.0(4) . . ?
C35 Co34 B48 173.6(4) . . ?
C46 Co34 B48 83.6(4) . . ?
C36 Co34 B39 84.2(4) . . ?
C47 Co34 B39 173.9(4) . . ?
C35 Co34 B39 48.6(3) . . ?
C46 Co34 B39 136.6(4) . . ?
B48 Co34 B39 125.0(4) . . ?
C36 Co34 B50 125.5(4) . . ?
C47 Co34 B50 82.5(4) . . ?
C35 Co34 B50 93.8(4) . . ?
C46 Co34 B50 48.2(4) . . ?
B48 Co34 B50 87.7(4) . . ?
B39 Co34 B50 96.5(4) . . ?
C36 Co34 B37 48.3(4) . . ?
C47 Co34 B37 94.0(4) . . ?
C35 Co34 B37 84.0(4) . . ?
C46 Co34 B37 125.0(4) . . ?
B48 Co34 B37 95.3(4) . . ?
B39 Co34 B37 87.6(4) . . ?
B50 Co34 B37 172.3(4) . . ?
C36 Co34 B49 173.4(4) . . ?
C47 Co34 B49 84.2(4) . . ?
C35 Co34 B49 125.7(4) . . ?
C46 Co34 B49 84.3(4) . . ?
B48 Co34 B49 51.3(4) . . ?
B39 Co34 B49 90.5(4) . . ?
B50 Co34 B49 51.2(4) . . ?
B37 Co34 B49 135.5(4) . . ?
C36 Co34 B38 84.5(4) . . ?
C47 Co34 B38 126.6(4) . . ?
C35 Co34 B38 84.5(4) . . ?
C46 Co34 B38 172.5(4) . . ?
B48 Co34 B38 90.2(4) . . ?
B39 Co34 B38 50.8(4) . . ?
B50 Co34 B38 136.0(4) . . ?
B37 Co34 B38 51.3(4) . . ?
B49 Co34 B38 95.1(4) . . ?
C36 C35 B39 111.1(7) . . ?
C36 C35 B44 110.9(7) . . ?
B39 C35 B44 64.1(5) . . ?
C36 C35 B40 62.0(6) . . ?
B39 C35 B40 115.4(7) . . ?
B44 C35 B40 61.8(6) . . ?
C36 C35 Co34 65.8(4) . . ?
B39 C35 Co34 67.2(4) . . ?
B44 C35 Co34 125.1(6) . . ?
B40 C35 Co34 124.1(6) . . ?
C35 C36 B41 111.4(7) . . ?
C35 C36 B37 112.3(7) . . ?
B41 C36 B37 64.5(6) . . ?
C35 C36 B40 61.7(5) . . ?
B41 C36 B40 61.5(6) . . ?
B37 C36 B40 115.3(7) . . ?
C35 C36 Co34 66.5(4) . . ?
B41 C36 Co34 126.6(6) . . ?
B37 C36 Co34 68.0(4) . . ?
B40 C36 Co34 124.5(6) . . ?
C36 B37 B42 105.3(7) . . ?
C36 B37 B41 57.2(5) . . ?
B42 B37 B41 61.8(6) . . ?
C36 B37 B38 104.8(7) . . ?
B42 B37 B38 60.6(6) . . ?
B41 B37 B38 109.2(7) . . ?
C36 B37 Co34 63.7(4) . . ?
B42 B37 Co34 118.3(6) . . ?
B41 B37 Co34 116.3(6) . . ?
B38 B37 Co34 64.7(4) . . ?
B43 B38 B39 58.6(6) . . ?
B43 B38 B42 60.4(6) . . ?
B39 B38 B42 107.5(7) . . ?
B43 B38 B37 105.0(7) . . ?
B39 B38 B37 106.2(7) . . ?
B42 B38 B37 58.1(5) . . ?
B43 B38 Co34 114.7(6) . . ?
B39 B38 Co34 64.0(4) . . ?
B42 B38 Co34 115.5(6) . . ?
B37 B38 Co34 64.0(4) . . ?
C35 B39 B43 102.8(7) . . ?
C35 B39 B38 105.5(7) . . ?
B43 B39 B38 60.2(6) . . ?
C35 B39 B44 58.1(5) . . ?
B43 B39 B44 58.8(5) . . ?
B38 B39 B44 108.3(7) . . ?
C35 B39 Co34 64.1(4) . . ?
B43 B39 Co34 117.0(7) . . ?
B38 B39 Co34 65.2(4) . . ?
B44 B39 Co34 117.1(6) . . ?
C35 B40 C36 56.3(5) . . ?
C35 B40 B41 103.4(7) . . ?
C36 B40 B41 57.1(6) . . ?
C35 B40 B44 58.2(5) . . ?
C36 B40 B44 103.5(7) . . ?
B41 B40 B44 109.0(8) . . ?
C35 B40 B45 104.1(7) . . ?
C36 B40 B45 104.1(7) . . ?
B41 B40 B45 61.8(7) . . ?
B44 B40 B45 60.0(6) . . ?
C36 B41 B40 61.4(6) . . ?
C36 B41 B37 58.3(5) . . ?
B40 B41 B37 110.2(7) . . ?
C36 B41 B45 105.9(8) . . ?
B40 B41 B45 60.0(6) . . ?
B37 B41 B45 107.7(7) . . ?
C36 B41 B42 103.5(7) . . ?
B40 B41 B42 108.9(8) . . ?
B37 B41 B42 58.4(6) . . ?
B45 B41 B42 60.5(6) . . ?
B37 B42 B43 106.5(7) . . ?
B37 B42 B38 61.3(5) . . ?
B43 B42 B38 59.2(6) . . ?
B37 B42 B41 59.9(6) . . ?
B43 B42 B41 104.5(7) . . ?
B38 B42 B41 108.3(6) . . ?
B37 B42 B45 108.0(7) . . ?
B43 B42 B45 58.2(6) . . ?
B38 B42 B45 107.7(8) . . ?
B41 B42 B45 59.4(6) . . ?
B44 B43 B39 62.0(6) . . ?
B44 B43 B45 60.5(6) . . ?
B39 B43 B45 111.2(7) . . ?
B44 B43 B38 111.6(7) . . ?
B39 B43 B38 61.2(6) . . ?
B45 B43 B38 111.6(8) . . ?
B44 B43 B42 110.0(7) . . ?
B39 B43 B42 109.6(7) . . ?
B45 B43 B42 61.6(6) . . ?
B38 B43 B42 60.4(6) . . ?
C35 B44 B43 102.9(7) . . ?
C35 B44 B40 60.1(5) . . ?
B43 B44 B40 107.7(8) . . ?
C35 B44 B45 105.7(7) . . ?
B43 B44 B45 60.3(6) . . ?
B40 B44 B45 60.3(6) . . ?
C35 B44 B39 57.8(5) . . ?
B43 B44 B39 59.1(6) . . ?
B40 B44 B39 108.8(7) . . ?
B45 B44 B39 108.7(7) . . ?
B43 B45 B44 59.2(6) . . ?
B43 B45 B40 106.4(7) . . ?
B44 B45 B40 59.7(6) . . ?
B43 B45 B41 106.5(7) . . ?
B44 B45 B41 105.9(7) . . ?
B40 B45 B41 58.2(6) . . ?
B43 B45 B42 60.2(6) . . ?
B44 B45 B42 107.7(7) . . ?
B40 B45 B42 107.1(7) . . ?
B41 B45 B42 60.1(6) . . ?
C47 C46 B55 111.2(7) . . ?
C47 C46 B51 62.8(6) . . ?
B55 C46 B51 61.3(6) . . ?
C47 C46 B50 112.1(7) . . ?
B55 C46 B50 63.1(6) . . ?
B51 C46 B50 114.8(7) . . ?
C47 C46 Co34 66.7(4) . . ?
B55 C46 Co34 124.6(6) . . ?
B51 C46 Co34 125.5(6) . . ?
B50 C46 Co34 67.4(4) . . ?
C46 C47 B52 111.8(6) . . ?
C46 C47 B51 61.0(5) . . ?
B52 C47 B51 63.3(6) . . ?
C46 C47 B48 112.9(7) . . ?
B52 C47 B48 63.1(6) . . ?
B51 C47 B48 116.1(7) . . ?
C46 C47 Co34 67.3(4) . . ?
B52 C47 Co34 124.4(6) . . ?
B51 C47 Co34 124.4(6) . . ?
B48 C47 Co34 67.1(4) . . ?
C47 B48 B52 57.3(5) . . ?
C47 B48 B53 102.0(7) . . ?
B52 B48 B53 59.5(6) . . ?
C47 B48 B49 103.9(7) . . ?
B52 B48 B49 107.4(7) . . ?
B53 B48 B49 59.2(6) . . ?
C47 B48 Co34 64.0(5) . . ?
B52 B48 Co34 116.3(6) . . ?
B53 B48 Co34 116.0(6) . . ?
B49 B48 Co34 64.8(4) . . ?
B53 B49 B54 58.5(6) . . ?
B53 B49 B48 60.3(6) . . ?
B54 B49 B48 106.5(7) . . ?
B53 B49 B50 104.5(7) . . ?
B54 B49 B50 58.1(6) . . ?
B48 B49 B50 105.9(7) . . ?
B53 B49 Co34 116.3(6) . . ?
B54 B49 Co34 115.4(6) . . ?
B48 B49 Co34 64.0(4) . . ?
B50 B49 Co34 64.1(4) . . ?
C46 B50 B54 104.3(7) . . ?
C46 B50 B55 57.9(5) . . ?
B54 B50 B55 60.0(6) . . ?
C46 B50 B49 105.1(7) . . ?
B54 B50 B49 60.7(6) . . ?
B55 B50 B49 108.6(7) . . ?
C46 B50 Co34 64.4(4) . . ?
B54 B50 Co34 118.0(6) . . ?
B55 B50 Co34 117.3(6) . . ?
B49 B50 Co34 64.6(4) . . ?
C46 B51 C47 56.2(5) . . ?
C46 B51 B55 59.2(6) . . ?
C47 B51 B55 104.3(7) . . ?
C46 B51 B56 105.4(7) . . ?
C47 B51 B56 104.3(7) . . ?
B55 B51 B56 60.8(6) . . ?
C46 B51 B52 103.1(7) . . ?
C47 B51 B52 57.3(6) . . ?
B55 B51 B52 108.1(8) . . ?
B56 B51 B52 60.3(6) . . ?
C47 B52 B48 59.6(6) . . ?
C47 B52 B51 59.4(6) . . ?
B48 B52 B51 110.0(7) . . ?
C47 B52 B56 105.1(7) . . ?
B48 B52 B56 109.8(8) . . ?
B51 B52 B56 59.5(6) . . ?
C47 B52 B53 105.2(7) . . ?
B48 B52 B53 61.4(6) . . ?
B51 B52 B53 107.0(7) . . ?
B56 B52 B53 59.3(6) . . ?
B56 B53 B54 60.7(6) . . ?
B56 B53 B52 60.2(6) . . ?
B54 B53 B52 108.0(8) . . ?
B56 B53 B49 110.6(7) . . ?
B54 B53 B49 61.2(6) . . ?
B52 B53 B49 108.2(7) . . ?
B56 B53 B48 108.7(7) . . ?
B54 B53 B48 108.9(7) . . ?
B52 B53 B48 59.1(6) . . ?
B49 B53 B48 60.5(5) . . ?
B53 B54 B50 108.4(7) . . ?
B53 B54 B55 106.9(8) . . ?
B50 B54 B55 60.0(6) . . ?
B53 B54 B56 59.6(6) . . ?
B50 B54 B56 108.2(8) . . ?
B55 B54 B56 59.5(6) . . ?
B53 B54 B49 60.3(6) . . ?
B50 B54 B49 61.2(6) . . ?
B55 B54 B49 109.0(7) . . ?
B56 B54 B49 108.9(7) . . ?
C46 B55 B51 59.5(6) . . ?
C46 B55 B56 105.9(7) . . ?
B51 B55 B56 61.0(6) . . ?
C46 B55 B50 59.0(5) . . ?
B51 B55 B50 109.8(7) . . ?
B56 B55 B50 109.1(7) . . ?
C46 B55 B54 105.1(7) . . ?
B51 B55 B54 109.9(8) . . ?
B56 B55 B54 60.7(7) . . ?
B50 B55 B54 59.9(6) . . ?
B55 B56 B53 107.2(7) . . ?
B55 B56 B51 58.2(6) . . ?
B53 B56 B51 108.6(7) . . ?
B55 B56 B52 106.0(7) . . ?
B53 B56 B52 60.5(6) . . ?
B51 B56 B52 60.2(6) . . ?
B55 B56 B54 59.8(6) . . ?
B53 B56 B54 59.7(6) . . ?
B51 B56 B54 106.9(8) . . ?
B52 B56 B54 107.3(7) . . ?
C59 Co57 C58 45.6(4) . . ?
C59 Co57 B72 175.4(4) . . ?
C58 Co57 B72 130.9(4) . . ?
C59 Co57 C69 99.9(4) . . ?
C58 Co57 C69 101.8(4) . . ?
B72 Co57 C69 83.5(4) . . ?
C59 Co57 B73 129.7(4) . . ?
C58 Co57 B73 97.3(4) . . ?
B72 Co57 B73 50.9(4) . . ?
C69 Co57 B73 47.9(4) . . ?
C59 Co57 B71 131.2(4) . . ?
C58 Co57 B71 173.5(4) . . ?
B72 Co57 B71 51.8(4) . . ?
C69 Co57 B71 84.1(4) . . ?
B73 Co57 B71 88.6(4) . . ?
C59 Co57 B60 50.0(4) . . ?
C58 Co57 B60 82.5(4) . . ?
B72 Co57 B60 129.4(4) . . ?
C69 Co57 B60 131.9(4) . . ?
B73 Co57 B60 179.7(4) . . ?
B71 Co57 B60 91.6(4) . . ?
C59 Co57 B62 82.6(4) . . ?
C58 Co57 B62 47.3(4) . . ?
B72 Co57 B62 92.9(4) . . ?
C69 Co57 B62 131.4(4) . . ?
B73 Co57 B62 93.6(4) . . ?
B71 Co57 B62 129.9(4) . . ?
B60 Co57 B62 86.4(4) . . ?
C59 Co57 B61 84.8(4) . . ?
C58 Co57 B61 83.5(4) . . ?
B72 Co57 B61 92.0(4) . . ?
C69 Co57 B61 174.5(4) . . ?
B73 Co57 B61 130.5(4) . . ?
B71 Co57 B61 90.7(4) . . ?
B60 Co57 B61 49.8(5) . . ?
B62 Co57 B61 51.6(4) . . ?
C59 Co57 C70 102.1(4) . . ?
C58 Co57 C70 134.4(3) . . ?
B72 Co57 C70 82.4(4) . . ?
C69 Co57 C70 44.6(3) . . ?
B73 Co57 C70 80.6(4) . . ?
B71 Co57 C70 49.1(4) . . ?
B60 Co57 C70 99.4(4) . . ?
B62 Co57 C70 174.1(4) . . ?
B61 Co57 C70 131.9(4) . . ?
C59 C58 B62 113.4(7) . . ?
C59 C58 B67 112.6(7) . . ?
B62 C58 B67 65.9(6) . . ?
C59 C58 B63 62.7(6) . . ?
B62 C58 B63 116.9(7) . . ?
B67 C58 B63 61.3(6) . . ?
C59 C58 Co57 66.2(5) . . ?
B62 C58 Co57 67.2(5) . . ?
B67 C58 Co57 126.9(6) . . ?
B63 C58 Co57 124.9(6) . . ?
C58 C59 B63 62.0(6) . . ?
C58 C59 B64 110.1(8) . . ?
B63 C59 B64 61.3(7) . . ?
C58 C59 B60 110.4(7) . . ?
B63 C59 B60 113.0(8) . . ?
B64 C59 B60 62.1(7) . . ?
C58 C59 Co57 68.1(4) . . ?
B63 C59 Co57 126.0(6) . . ?
B64 C59 Co57 123.8(7) . . ?
B60 C59 Co57 66.6(5) . . ?
B65 B60 C59 104.8(8) . . ?
B65 B60 B61 62.0(7) . . ?
C59 B60 B61 105.4(7) . . ?
B65 B60 B64 60.0(7) . . ?
C59 B60 B64 58.6(6) . . ?
B61 B60 B64 110.1(9) . . ?
B65 B60 Co57 119.9(7) . . ?
C59 B60 Co57 63.3(5) . . ?
B61 B60 Co57 65.6(5) . . ?
B64 B60 Co57 117.6(7) . . ?
B60 B61 B65 58.2(7) . . ?
B60 B61 B66 104.3(8) . . ?
B65 B61 B66 58.5(6) . . ?
B60 B61 B62 105.7(7) . . ?
B65 B61 B62 105.8(7) . . ?
B66 B61 B62 59.3(6) . . ?
B60 B61 Co57 64.7(5) . . ?
B65 B61 Co57 115.8(7) . . ?
B66 B61 Co57 115.5(6) . . ?
B62 B61 Co57 63.8(5) . . ?
C58 B62 B66 101.9(7) . . ?
C58 B62 B67 57.0(6) . . ?
B66 B62 B67 58.8(6) . . ?
C58 B62 B61 105.0(7) . . ?
B66 B62 B61 60.3(6) . . ?
B67 B62 B61 107.9(7) . . ?
C58 B62 Co57 65.4(5) . . ?
B66 B62 Co57 117.0(6) . . ?
B67 B62 Co57 117.4(7) . . ?
B61 B62 Co57 64.6(5) . . ?
C58 B63 C59 55.4(5) . . ?
C58 B63 B67 58.3(6) . . ?
C59 B63 B67 104.2(7) . . ?
C58 B63 B64 103.7(7) . . ?
C59 B63 B64 59.8(6) . . ?
B67 B63 B64 108.8(8) . . ?
C58 B63 B68 104.0(7) . . ?
C59 B63 B68 105.6(7) . . ?
B67 B63 B68 60.5(6) . . ?
B64 B63 B68 60.4(7) . . ?
C59 B64 B63 58.9(6) . . ?
C59 B64 B65 104.2(8) . . ?
B63 B64 B65 108.7(9) . . ?
C59 B64 B68 104.9(8) . . ?
B63 B64 B68 60.3(7) . . ?
B65 B64 B68 60.6(7) . . ?
C59 B64 B60 59.4(6) . . ?
B63 B64 B60 108.8(8) . . ?
B65 B64 B60 58.4(7) . . ?
B68 B64 B60 107.6(8) . . ?
B60 B65 B64 61.6(7) . . ?
B60 B65 B66 107.7(8) . . ?
B64 B65 B66 106.3(8) . . ?
B60 B65 B68 109.6(8) . . ?
B64 B65 B68 60.0(7) . . ?
B66 B65 B68 58.5(6) . . ?
B60 B65 B61 59.8(7) . . ?
B64 B65 B61 109.5(8) . . ?
B66 B65 B61 61.3(6) . . ?
B68 B65 B61 109.5(7) . . ?
B68 B66 B65 61.2(6) . . ?
B68 B66 B67 60.1(6) . . ?
B65 B66 B67 108.3(8) . . ?
B68 B66 B62 109.9(8) . . ?
B65 B66 B62 108.1(8) . . ?
B67 B66 B62 60.9(6) . . ?
B68 B66 B61 110.8(8) . . ?
B65 B66 B61 60.2(6) . . ?
B67 B66 B61 109.8(8) . . ?
B62 B66 B61 60.5(6) . . ?
C58 B67 B63 60.4(6) . . ?
C58 B67 B68 106.1(8) . . ?
B63 B67 B68 61.3(6) . . ?
C58 B67 B66 103.1(7) . . ?
B63 B67 B66 107.9(8) . . ?
B68 B67 B66 58.9(6) . . ?
C58 B67 B62 57.0(6) . . ?
B63 B67 B62 108.7(8) . . ?
B68 B67 B62 108.4(7) . . ?
B66 B67 B62 60.3(6) . . ?
B66 B68 B67 61.0(6) . . ?
B66 B68 B63 107.1(7) . . ?
B67 B68 B63 58.2(6) . . ?
B66 B68 B64 107.2(7) . . ?
B67 B68 B64 106.0(8) . . ?
B63 B68 B64 59.2(6) . . ?
B66 B68 B65 60.3(6) . . ?
B67 B68 B65 108.3(7) . . ?
B63 B68 B65 106.8(8) . . ?
B64 B68 B65 59.3(7) . . ?
C70 C69 B78 109.0(7) . . ?
C70 C69 B73 111.7(6) . . ?
B78 C69 B73 65.2(6) . . ?
C70 C69 B74 58.5(6) . . ?
B78 C69 B74 63.4(6) . . ?
B73 C69 B74 117.7(8) . . ?
C70 C69 Co57 68.9(4) . . ?
B78 C69 Co57 125.6(6) . . ?
B73 C69 Co57 66.2(4) . . ?
B74 C69 Co57 124.6(6) . . ?
C69 C70 B75 116.6(7) . . ?
C69 C70 B74 65.3(6) . . ?
B75 C70 B74 65.7(7) . . ?
C69 C70 B71 113.4(6) . . ?
B75 C70 B71 65.7(6) . . ?
B74 C70 B71 122.0(7) . . ?
C69 C70 Co57 66.5(4) . . ?
B75 C70 Co57 125.4(6) . . ?
B74 C70 Co57 128.7(6) . . ?
B71 C70 Co57 64.6(4) . . ?
C70 B71 B76 98.0(7) . . ?
C70 B71 B72 101.4(6) . . ?
B76 B71 B72 60.8(6) . . ?
C70 B71 B75 53.9(6) . . ?
B76 B71 B75 58.3(6) . . ?
B72 B71 B75 106.6(7) . . ?
C70 B71 Co57 66.2(4) . . ?
B76 B71 Co57 117.1(6) . . ?
B72 B71 Co57 63.7(4) . . ?
B75 B71 Co57 116.2(6) . . ?
B73 B72 B71 107.7(7) . . ?
B73 B72 B77 59.6(6) . . ?
B71 B72 B77 106.5(8) . . ?
B73 B72 B76 106.8(8) . . ?
B71 B72 B76 59.2(6) . . ?
B77 B72 B76 59.0(6) . . ?
B73 B72 Co57 64.8(5) . . ?
B71 B72 Co57 64.4(5) . . ?
B77 B72 Co57 116.7(6) . . ?
B76 B72 Co57 116.3(7) . . ?
C69 B73 B72 105.3(7) . . ?
C69 B73 B77 101.9(7) . . ?
B72 B73 B77 61.4(6) . . ?
C69 B73 B78 56.5(5) . . ?
B72 B73 B78 108.9(7) . . ?
B77 B73 B78 59.0(6) . . ?
C69 B73 Co57 65.9(4) . . ?
B72 B73 Co57 64.2(5) . . ?
B77 B73 Co57 117.8(6) . . ?
B78 B73 Co57 117.7(6) . . ?
C70 B74 C69 56.2(5) . . ?
C70 B74 B75 56.9(6) . . ?
C69 B74 B75 102.5(8) . . ?
C70 B74 B78 101.2(8) . . ?
C69 B74 B78 56.0(6) . . ?
B75 B74 B78 107.2(8) . . ?
C70 B74 B79 102.5(8) . . ?
C69 B74 B79 101.9(8) . . ?
B75 B74 B79 61.0(7) . . ?
B78 B74 B79 59.6(6) . . ?
C70 B75 B74 57.5(6) . . ?
C70 B75 B76 104.3(8) . . ?
B74 B75 B76 110.0(8) . . ?
C70 B75 B79 102.4(7) . . ?
B74 B75 B79 60.2(6) . . ?
B76 B75 B79 61.0(7) . . ?
C70 B75 B71 60.4(6) . . ?
B74 B75 B71 110.6(8) . . ?
B76 B75 B71 60.1(6) . . ?
B79 B75 B71 109.4(8) . . ?
B75 B76 B71 61.6(6) . . ?
B75 B76 B77 106.2(8) . . ?
B71 B76 B77 108.2(7) . . ?
B75 B76 B79 60.4(6) . . ?
B71 B76 B79 110.1(8) . . ?
B77 B76 B79 58.0(6) . . ?
B75 B76 B72 108.4(7) . . ?
B71 B76 B72 59.9(6) . . ?
B77 B76 B72 60.4(6) . . ?
B79 B76 B72 107.8(7) . . ?
B79 B77 B78 60.6(6) . . ?
B79 B77 B73 109.9(8) . . ?
B78 B77 B73 60.6(6) . . ?
B79 B77 B76 61.3(7) . . ?
B78 B77 B76 108.5(8) . . ?
B73 B77 B76 107.6(7) . . ?
B79 B77 B72 110.7(7) . . ?
B78 B77 B72 108.3(7) . . ?
B73 B77 B72 59.0(5) . . ?
B76 B77 B72 60.6(6) . . ?
C69 B78 B77 104.4(7) . . ?
C69 B78 B79 106.0(7) . . ?
B77 B78 B79 59.2(6) . . ?
C69 B78 B74 60.6(6) . . ?
B77 B78 B74 108.0(7) . . ?
B79 B78 B74 60.3(6) . . ?
C69 B78 B73 58.3(6) . . ?
B77 B78 B73 60.4(6) . . ?
B79 B78 B73 108.6(8) . . ?
B74 B78 B73 109.8(7) . . ?
B77 B79 B78 60.2(6) . . ?
B77 B79 B74 108.5(8) . . ?
B78 B79 B74 60.1(6) . . ?
B77 B79 B75 106.9(8) . . ?
B78 B79 B75 105.9(8) . . ?
B74 B79 B75 58.8(6) . . ?
B77 B79 B76 60.7(6) . . ?
B78 B79 B76 107.7(8) . . ?
B74 B79 B76 106.9(8) . . ?
B75 B79 B76 58.6(7) . . ?
B94 Co80 C92 83.7(4) . . ?
B94 Co80 C82 129.3(4) . . ?
C92 Co80 C82 100.7(4) . . ?
B94 Co80 C93 48.9(3) . . ?
C92 Co80 C93 45.3(4) . . ?
C82 Co80 C93 100.4(4) . . ?
B94 Co80 C81 175.2(4) . . ?
C92 Co80 C81 98.9(4) . . ?
C82 Co80 C81 46.3(4) . . ?
C93 Co80 C81 130.9(4) . . ?
B94 Co80 B96 86.6(4) . . ?
C92 Co80 B96 49.1(4) . . ?
C82 Co80 B96 133.8(4) . . ?
C93 Co80 B96 81.6(4) . . ?
C81 Co80 B96 98.1(4) . . ?
B94 Co80 B84 93.2(4) . . ?
C92 Co80 B84 175.4(4) . . ?
C82 Co80 B84 83.8(4) . . ?
C93 Co80 B84 133.8(4) . . ?
C81 Co80 B84 84.5(4) . . ?
B96 Co80 B84 127.5(4) . . ?
B94 Co80 B85 131.9(4) . . ?
C92 Co80 B85 129.0(4) . . ?
C82 Co80 B85 83.5(4) . . ?
C93 Co80 B85 173.4(4) . . ?
C81 Co80 B85 49.0(4) . . ?
B96 Co80 B85 91.9(4) . . ?
B84 Co80 B85 51.5(4) . . ?
B94 Co80 B83 91.3(4) . . ?
C92 Co80 B83 132.3(4) . . ?
C82 Co80 B83 48.9(4) . . ?
C93 Co80 B83 98.3(4) . . ?
C81 Co80 B83 84.0(4) . . ?
B96 Co80 B83 177.3(4) . . ?
B84 Co80 B83 50.9(4) . . ?
B85 Co80 B83 88.2(4) . . ?
B94 Co80 B95 50.3(4) . . ?
C92 Co80 B95 83.0(4) . . ?
C82 Co80 B95 176.2(4) . . ?
C93 Co80 B95 81.9(4) . . ?
C81 Co80 B95 133.8(4) . . ?
B96 Co80 B95 49.3(4) . . ?
B84 Co80 B95 92.4(4) . . ?
B85 Co80 B95 94.5(4) . . ?
B83 Co80 B95 128.0(4) . . ?
C82 C81 B90 110.8(7) . . ?
C82 C81 B86 62.0(6) . . ?
B90 C81 B86 62.6(7) . . ?
C82 C81 B85 111.2(7) . . ?
B90 C81 B85 64.1(6) . . ?
B86 C81 B85 116.8(8) . . ?
C82 C81 Co80 66.8(5) . . ?
B90 C81 Co80 124.2(7) . . ?
B86 C81 Co80 125.3(7) . . ?
B85 C81 Co80 66.0(4) . . ?
C81 C82 B87 111.9(8) . . ?
C81 C82 B86 61.7(6) . . ?
B87 C82 B86 63.2(7) . . ?
C81 C82 B83 112.8(7) . . ?
B87 C82 B83 64.3(6) . . ?
B86 C82 B83 117.5(8) . . ?
C81 C82 Co80 66.9(4) . . ?
B87 C82 Co80 125.2(6) . . ?
B86 C82 Co80 125.1(7) . . ?
B83 C82 Co80 66.9(4) . . ?
C82 B83 B88 102.7(8) . . ?
C82 B83 B84 103.5(7) . . ?
B88 B83 B84 59.8(6) . . ?
C82 B83 B87 56.8(6) . . ?
B88 B83 B87 60.4(7) . . ?
B84 B83 B87 107.8(8) . . ?
C82 B83 Co80 64.2(4) . . ?
B88 B83 Co80 116.2(6) . . ?
B84 B83 Co80 63.8(4) . . ?
B87 B83 Co80 116.2(6) . . ?
B88 B84 B89 59.8(6) . . ?
B88 B84 B83 59.2(6) . . ?
B89 B84 B83 107.2(8) . . ?
B88 B84 B85 107.0(7) . . ?
B89 B84 B85 59.2(6) . . ?
B83 B84 B85 108.0(7) . . ?
B88 B84 Co80 117.1(7) . . ?
B89 B84 Co80 116.5(6) . . ?
B83 B84 Co80 65.3(4) . . ?
B85 B84 Co80 64.3(5) . . ?
C81 B85 B89 103.3(7) . . ?
C81 B85 B90 56.5(6) . . ?
B89 B85 B90 60.4(6) . . ?
C81 B85 B84 104.4(7) . . ?
B89 B85 B84 60.0(6) . . ?
B90 B85 B84 107.9(7) . . ?
C81 B85 Co80 65.0(5) . . ?
B89 B85 Co80 117.2(6) . . ?
B90 B85 Co80 116.5(7) . . ?
B84 B85 Co80 64.2(5) . . ?
C81 B86 C82 56.3(6) . . ?
C81 B86 B90 57.3(6) . . ?
C82 B86 B90 102.1(8) . . ?
C81 B86 B87 103.0(8) . . ?
C82 B86 B87 57.4(6) . . ?
B90 B86 B87 106.7(9) . . ?
C81 B86 B91 102.8(9) . . ?
C82 B86 B91 102.0(9) . . ?
B90 B86 B91 59.8(7) . . ?
B87 B86 B91 59.3(7) . . ?
C82 B87 B91 104.5(7) . . ?
C82 B87 B86 59.4(6) . . ?
B91 B87 B86 60.7(7) . . ?
C82 B87 B88 102.8(7) . . ?
B91 B87 B88 60.6(7) . . ?
B86 B87 B88 109.0(8) . . ?
C82 B87 B83 58.9(5) . . ?
B91 B87 B83 108.2(8) . . ?
B86 B87 B83 109.9(7) . . ?
B88 B87 B83 58.4(6) . . ?
B83 B88 B84 61.1(6) . . ?
B83 B88 B89 109.4(7) . . ?
B84 B88 B89 60.7(6) . . ?
B83 B88 B87 61.2(6) . . ?
B84 B88 B87 109.5(7) . . ?
B89 B88 B87 107.4(7) . . ?
B83 B88 B91 109.2(8) . . ?
B84 B88 B91 109.3(7) . . ?
B89 B88 B91 60.1(7) . . ?
B87 B88 B91 59.0(7) . . ?
B85 B89 B88 108.0(7) . . ?
B85 B89 B91 108.6(8) . . ?
B88 B89 B91 60.6(7) . . ?
B85 B89 B84 60.8(6) . . ?
B88 B89 B84 59.5(6) . . ?
B91 B89 B84 108.9(8) . . ?
B85 B89 B90 60.4(6) . . ?
B88 B89 B90 107.1(8) . . ?
B91 B89 B90 59.2(6) . . ?
B84 B89 B90 108.4(7) . . ?
C81 B90 B86 60.1(7) . . ?
C81 B90 B91 105.9(8) . . ?
B86 B90 B91 61.2(7) . . ?
C81 B90 B85 59.4(6) . . ?
B86 B90 B85 110.7(8) . . ?
B91 B90 B85 108.5(7) . . ?
C81 B90 B89 104.6(7) . . ?
B86 B90 B89 109.8(8) . . ?
B91 B90 B89 60.2(6) . . ?
B85 B90 B89 59.2(6) . . ?
B90 B91 B87 106.6(8) . . ?
B90 B91 B89 60.6(6) . . ?
B87 B91 B89 107.9(8) . . ?
B90 B91 B86 59.0(7) . . ?
B87 B91 B86 60.0(7) . . ?
B89 B91 B86 108.4(8) . . ?
B90 B91 B88 107.2(8) . . ?
B87 B91 B88 60.4(7) . . ?
B89 B91 B88 59.3(7) . . ?
B86 B91 B88 108.3(9) . . ?
C93 C92 B101 108.5(8) . . ?
C93 C92 B97 60.8(6) . . ?
B101 C92 B97 61.6(6) . . ?
C93 C92 B96 109.9(7) . . ?
B101 C92 B96 63.9(6) . . ?
B97 C92 B96 115.3(8) . . ?
C93 C92 Co80 67.8(4) . . ?
B101 C92 Co80 124.3(7) . . ?
B97 C92 Co80 125.4(6) . . ?
B96 C92 Co80 66.1(5) . . ?
C92 C93 B98 116.4(8) . . ?
C92 C93 B97 63.4(6) . . ?
B98 C93 B97 66.8(7) . . ?
C92 C93 B94 112.2(7) . . ?
B98 C93 B94 64.4(6) . . ?
B97 C93 B94 120.1(8) . . ?
C92 C93 Co80 67.0(4) . . ?
B98 C93 Co80 124.6(6) . . ?
B97 C93 Co80 127.0(6) . . ?
B94 C93 Co80 64.4(5) . . ?
C93 B94 B98 56.1(6) . . ?
C93 B94 B95 105.2(8) . . ?
B98 B94 B95 107.0(7) . . ?
C93 B94 B99 101.9(7) . . ?
B98 B94 B99 59.5(7) . . ?
B95 B94 B99 58.8(6) . . ?
C93 B94 Co80 66.7(4) . . ?
B98 B94 Co80 119.1(6) . . ?
B95 B94 Co80 68.2(5) . . ?
B99 B94 Co80 120.4(7) . . ?
B100 B95 B99 62.3(7) . . ?
B100 B95 B96 59.7(6) . . ?
B99 B95 B96 109.7(8) . . ?
B100 B95 B94 108.7(8) . . ?
B99 B95 B94 61.0(6) . . ?
B96 B95 B94 105.5(8) . . ?
B100 B95 Co80 116.0(7) . . ?
B99 B95 Co80 116.3(7) . . ?
B96 B95 Co80 63.4(5) . . ?
B94 B95 Co80 61.5(4) . . ?
C92 B96 B100 103.4(8) . . ?
C92 B96 B95 106.2(7) . . ?
B100 B96 B95 59.5(6) . . ?
C92 B96 B101 57.8(6) . . ?
B100 B96 B101 58.6(6) . . ?
B95 B96 B101 107.0(8) . . ?
C92 B96 Co80 64.7(4) . . ?
B100 B96 Co80 119.1(7) . . ?
B95 B96 Co80 67.3(5) . . ?
B101 B96 Co80 117.6(7) . . ?
C93 B97 C92 55.7(5) . . ?
C93 B97 B101 102.5(8) . . ?
C92 B97 B101 59.0(6) . . ?
C93 B97 B102 101.5(8) . . ?
C92 B97 B102 103.7(9) . . ?
B101 B97 B102 59.6(7) . . ?
C93 B97 B98 55.4(5) . . ?
C92 B97 B98 101.2(7) . . ?
B101 B97 B98 106.2(8) . . ?
B102 B97 B98 59.7(6) . . ?
C93 B98 B99 105.5(8) . . ?
C93 B98 B94 59.5(5) . . ?
B99 B98 B94 60.8(6) . . ?
C93 B98 B102 102.9(8) . . ?
B99 B98 B102 60.6(7) . . ?
B94 B98 B102 108.4(8) . . ?
C93 B98 B97 57.8(6) . . ?
B99 B98 B97 108.9(8) . . ?
B94 B98 B97 108.7(8) . . ?
B102 B98 B97 59.3(6) . . ?
B95 B99 B98 108.3(7) . . ?
B95 B99 B94 60.2(6) . . ?
B98 B99 B94 59.8(6) . . ?
B95 B99 B102 107.4(8) . . ?
B98 B99 B102 60.5(7) . . ?
B94 B99 B102 107.6(8) . . ?
B95 B99 B100 58.4(6) . . ?
B98 B99 B100 106.2(8) . . ?
B94 B99 B100 105.2(8) . . ?
B102 B99 B100 58.9(7) . . ?
B95 B100 B101 111.3(8) . . ?
B95 B100 B96 60.8(6) . . ?
B101 B100 B96 62.8(6) . . ?
B95 B100 B102 109.2(8) . . ?
B101 B100 B102 60.1(7) . . ?
B96 B100 B102 110.3(8) . . ?
B95 B100 B99 59.2(6) . . ?
B101 B100 B99 108.7(8) . . ?
B96 B100 B99 108.0(8) . . ?
B102 B100 B99 60.3(7) . . ?
C92 B101 B100 103.8(8) . . ?
C92 B101 B97 59.4(6) . . ?
B100 B101 B97 109.9(8) . . ?
C92 B101 B102 105.3(8) . . ?
B100 B101 B102 60.8(7) . . ?
B97 B101 B102 61.2(7) . . ?
C92 B101 B96 58.3(6) . . ?
B100 B101 B96 58.6(7) . . ?
B97 B101 B96 108.8(7) . . ?
B102 B101 B96 107.6(8) . . ?
B101 B102 B100 59.1(7) . . ?
B101 B102 B97 59.2(6) . . ?
B100 B102 B97 107.0(9) . . ?
B101 B102 B98 106.9(8) . . ?
B100 B102 B98 106.3(9) . . ?
B97 B102 B98 61.0(6) . . ?
B101 B102 B99 108.2(9) . . ?
B100 B102 B99 60.8(7) . . ?
B97 B102 B99 108.9(8) . . ?
B98 B102 B99 58.8(7) . . ?
C105 Co10 C104 46.4(3) . . ?
C105 Co10 C115 99.0(3) . . ?
C104 Co10 C115 101.0(4) . . ?
C105 Co10 C116 101.6(3) . . ?
C104 Co10 C116 135.4(4) . . ?
C115 Co10 C116 46.5(4) . . ?
C105 Co10 B108 83.6(4) . . ?
C104 Co10 B108 48.8(4) . . ?
C115 Co10 B108 133.1(4) . . ?
C116 Co10 B108 174.8(4) . . ?
C105 Co10 B107 83.9(4) . . ?
C104 Co10 B107 84.4(4) . . ?
C115 Co10 B107 174.5(4) . . ?
C116 Co10 B107 128.5(4) . . ?
B108 Co10 B107 51.7(4) . . ?
C105 Co10 B106 48.5(4) . . ?
C104 Co10 B106 83.2(4) . . ?
C115 Co10 B106 128.8(4) . . ?
C116 Co10 B106 96.0(4) . . ?
B108 Co10 B106 87.5(4) . . ?
B107 Co10 B106 50.4(4) . . ?
C105 Co10 B117 134.3(4) . . ?
C104 Co10 B117 175.7(4) . . ?
C115 Co10 B117 83.2(4) . . ?
C116 Co10 B117 48.6(4) . . ?
B108 Co10 B117 127.4(4) . . ?
B107 Co10 B117 91.4(4) . . ?
B106 Co10 B117 95.0(4) . . ?
C105 Co10 B118 173.0(4) . . ?
C104 Co10 B118 126.8(4) . . ?
C115 Co10 B118 83.4(4) . . ?
C116 Co10 B118 84.8(4) . . ?
B108 Co10 B118 90.0(4) . . ?
B107 Co10 B118 94.2(4) . . ?
B106 Co10 B118 134.1(4) . . ?
B117 Co10 B118 52.3(4) . . ?
C105 Co10 B119 126.8(4) . . ?
C104 Co10 B119 93.8(4) . . ?
C115 Co10 B119 47.9(4) . . ?
C116 Co10 B119 83.4(4) . . ?
B108 Co10 B119 93.4(4) . . ?
B107 Co10 B119 133.4(4) . . ?
B106 Co10 B119 175.1(4) . . ?
B117 Co10 B119 88.2(4) . . ?
B118 Co10 B119 50.8(4) . . ?
C105 C104 B113 111.6(7) . . ?
C105 C104 B108 112.2(7) . . ?
B113 C104 B108 64.4(6) . . ?
C105 C104 B109 62.7(5) . . ?
B113 C104 B109 61.6(5) . . ?
B108 C104 B109 116.0(7) . . ?
C105 C104 Co10 66.6(4) . . ?
B113 C104 Co10 125.9(6) . . ?
B108 C104 Co10 67.3(4) . . ?
B109 C104 Co10 125.6(6) . . ?
C104 C105 B110 112.1(7) . . ?
C104 C105 B106 112.6(7) . . ?
B110 C105 B106 63.7(6) . . ?
C104 C105 B109 62.5(5) . . ?
B110 C105 B109 61.9(5) . . ?
B106 C105 B109 115.4(7) . . ?
C104 C105 Co10 67.0(4) . . ?
B110 C105 Co10 126.2(6) . . ?
B106 C105 Co10 68.0(5) . . ?
B109 C105 Co10 125.8(6) . . ?
C105 B106 B111 104.0(7) . . ?
C105 B106 B110 57.8(5) . . ?
B111 B106 B110 60.6(6) . . ?
C105 B106 B107 104.6(7) . . ?
B111 B106 B107 61.1(6) . . ?
B110 B106 B107 109.7(7) . . ?
C105 B106 Co10 63.5(4) . . ?
B111 B106 Co10 118.0(7) . . ?
B110 B106 Co10 117.0(6) . . ?
B107 B106 Co10 64.6(5) . . ?
B106 B107 B111 58.8(6) . . ?
B106 B107 B108 106.8(7) . . ?
B111 B107 B108 106.2(7) . . ?
B106 B107 B112 105.9(7) . . ?
B111 B107 B112 59.4(6) . . ?
B108 B107 B112 58.5(6) . . ?
B106 B107 Co10 65.0(5) . . ?
B111 B107 Co10 116.4(6) . . ?
B108 B107 Co10 64.0(4) . . ?
B112 B107 Co10 115.3(6) . . ?
C104 B108 B112 102.8(7) . . ?
C104 B108 B113 57.1(5) . . ?
B112 B108 B113 59.6(6) . . ?
C104 B108 B107 103.7(7) . . ?
B112 B108 B107 60.8(6) . . ?
B113 B108 B107 108.0(7) . . ?
C104 B108 Co10 63.9(4) . . ?
B112 B108 Co10 117.6(7) . . ?
B113 B108 Co10 116.3(6) . . ?
B107 B108 Co10 64.3(5) . . ?
C104 B109 C105 54.8(5) . . ?
C104 B109 B114 104.1(6) . . ?
C105 B109 B114 104.0(7) . . ?
C104 B109 B113 57.5(5) . . ?
C105 B109 B113 102.0(6) . . ?
B114 B109 B113 61.2(6) . . ?
C104 B109 B110 102.3(6) . . ?
C105 B109 B110 57.5(5) . . ?
B114 B109 B110 61.4(6) . . ?
B113 B109 B110 108.8(7) . . ?
C105 B110 B109 60.6(5) . . ?
C105 B110 B106 58.5(5) . . ?
B109 B110 B106 110.0(7) . . ?
C105 B110 B111 103.3(7) . . ?
B109 B110 B111 108.1(7) . . ?
B106 B110 B111 59.1(6) . . ?
C105 B110 B114 104.4(7) . . ?
B109 B110 B114 58.8(6) . . ?
B106 B110 B114 108.5(7) . . ?
B111 B110 B114 60.9(6) . . ?
B106 B111 B110 60.3(5) . . ?
B106 B111 B112 108.1(7) . . ?
B110 B111 B112 107.2(7) . . ?
B106 B111 B107 60.1(6) . . ?
B110 B111 B107 108.7(7) . . ?
B112 B111 B107 61.0(6) . . ?
B106 B111 B114 108.4(7) . . ?
B110 B111 B114 59.6(6) . . ?
B112 B111 B114 59.9(6) . . ?
B107 B111 B114 109.6(8) . . ?
B113 B112 B108 60.6(6) . . ?
B113 B112 B111 107.2(7) . . ?
B108 B112 B111 108.0(7) . . ?
B113 B112 B114 59.4(6) . . ?
B108 B112 B114 108.8(7) . . ?
B111 B112 B114 60.4(6) . . ?
B113 B112 B107 108.6(7) . . ?
B108 B112 B107 60.6(6) . . ?
B111 B112 B107 59.6(6) . . ?
B114 B112 B107 108.9(7) . . ?
C104 B113 B109 60.9(5) . . ?
C104 B113 B114 105.3(7) . . ?
B109 B113 B114 59.3(6) . . ?
C104 B113 B112 104.0(7) . . ?
B109 B113 B112 108.7(8) . . ?
B114 B113 B112 60.9(6) . . ?
C104 B113 B108 58.5(5) . . ?
B109 B113 B108 110.6(7) . . ?
B114 B113 B108 109.4(8) . . ?
B112 B113 B108 59.8(6) . . ?
B109 B114 B113 59.6(6) . . ?
B109 B114 B110 59.9(6) . . ?
B113 B114 B110 106.4(7) . . ?
B109 B114 B112 108.0(7) . . ?
B113 B114 B112 59.7(6) . . ?
B110 B114 B112 107.0(7) . . ?
B109 B114 B111 107.9(7) . . ?
B113 B114 B111 106.9(7) . . ?
B110 B114 B111 59.6(6) . . ?
B112 B114 B111 59.7(6) . . ?
C116 C115 B124 111.7(7) . . ?
C116 C115 B119 114.3(7) . . ?
B124 C115 B119 63.9(6) . . ?
C116 C115 B120 63.0(6) . . ?
B124 C115 B120 60.7(6) . . ?
B119 C115 B120 115.6(7) . . ?
C116 C115 Co10 67.1(4) . . ?
B124 C115 Co10 126.2(6) . . ?
B119 C115 Co10 68.6(4) . . ?
B120 C115 Co10 126.1(6) . . ?
C115 C116 B117 111.7(6) . . ?
C115 C116 B121 110.2(7) . . ?
B117 C116 B121 63.1(6) . . ?
C115 C116 B120 61.9(6) . . ?
B117 C116 B120 115.1(7) . . ?
B121 C116 B120 61.6(6) . . ?
C115 C116 Co10 66.5(4) . . ?
B117 C116 Co10 67.3(4) . . ?
B121 C116 Co10 124.0(6) . . ?
B120 C116 Co10 124.5(6) . . ?
C116 B117 B122 103.4(7) . . ?
C116 B117 B121 59.0(6) . . ?
B122 B117 B121 57.9(6) . . ?
C116 B117 B118 103.7(7) . . ?
B122 B117 B118 60.6(5) . . ?
B121 B117 B118 106.5(7) . . ?
C116 B117 Co10 64.1(4) . . ?
B122 B117 Co10 117.5(6) . . ?
B121 B117 Co10 117.6(6) . . ?
B118 B117 Co10 64.1(4) . . ?
B123 B118 B119 58.6(5) . . ?
B123 B118 B122 60.6(6) . . ?
B119 B118 B122 106.5(7) . . ?
B123 B118 B117 105.9(7) . . ?
B119 B118 B117 106.4(6) . . ?
B122 B118 B117 57.6(5) . . ?
B123 B118 Co10 115.9(6) . . ?
B119 B118 Co10 64.9(4) . . ?
B122 B118 Co10 114.5(6) . . ?
B117 B118 Co10 63.6(4) . . ?
C115 B119 B123 103.2(7) . . ?
C115 B119 B124 57.4(5) . . ?
B123 B119 B124 60.0(6) . . ?
C115 B119 B118 103.9(7) . . ?
B123 B119 B118 60.1(6) . . ?
B124 B119 B118 107.8(7) . . ?
C115 B119 Co10 63.4(4) . . ?
B123 B119 Co10 116.6(6) . . ?
B124 B119 Co10 115.8(6) . . ?
B118 B119 Co10 64.3(4) . . ?
B124 B120 C115 57.8(5) . . ?
B124 B120 C116 102.9(7) . . ?
C115 B120 C116 55.1(5) . . ?
B124 B120 B125 61.7(6) . . ?
C115 B120 B125 104.3(7) . . ?
C116 B120 B125 103.9(7) . . ?
B124 B120 B121 107.5(8) . . ?
C115 B120 B121 102.5(7) . . ?
C116 B120 B121 58.7(5) . . ?
B125 B120 B121 58.9(6) . . ?
C116 B121 B122 104.5(7) . . ?
C116 B121 B125 105.7(8) . . ?
B122 B121 B125 61.7(6) . . ?
C116 B121 B120 59.7(6) . . ?
B122 B121 B120 109.5(8) . . ?
B125 B121 B120 60.1(6) . . ?
C116 B121 B117 57.8(5) . . ?
B122 B121 B117 60.4(6) . . ?
B125 B121 B117 110.3(8) . . ?
B120 B121 B117 109.1(7) . . ?
B121 B122 B117 61.6(6) . . ?
B121 B122 B125 59.5(6) . . ?
B117 B122 B125 109.4(7) . . ?
B121 B122 B123 106.7(8) . . ?
B117 B122 B123 107.6(7) . . ?
B125 B122 B123 59.6(6) . . ?
B121 B122 B118 110.3(7) . . ?
B117 B122 B118 61.8(5) . . ?
B125 B122 B118 108.3(7) . . ?
B123 B122 B118 58.5(6) . . ?
B119 B123 B124 60.4(6) . . ?
B119 B123 B118 61.4(6) . . ?
B124 B123 B118 109.1(7) . . ?
B119 B123 B125 109.8(7) . . ?
B124 B123 B125 60.1(6) . . ?
B118 B123 B125 109.7(7) . . ?
B119 B123 B122 109.0(7) . . ?
B124 B123 B122 106.3(7) . . ?
B118 B123 B122 60.9(6) . . ?
B125 B123 B122 59.0(6) . . ?
C115 B124 B120 61.5(6) . . ?
C115 B124 B123 104.0(7) . . ?
B120 B124 B123 109.9(8) . . ?
C115 B124 B119 58.7(5) . . ?
B120 B124 B119 111.9(7) . . ?
B123 B124 B119 59.7(6) . . ?
C115 B124 B125 106.2(7) . . ?
B120 B124 B125 60.5(6) . . ?
B123 B124 B125 60.7(6) . . ?
B119 B124 B125 109.7(7) . . ?
B121 B125 B120 61.0(6) . . ?
B121 B125 B122 58.8(6) . . ?
B120 B125 B122 107.9(7) . . ?
B121 B125 B124 106.1(7) . . ?
B120 B125 B124 57.8(6) . . ?
B122 B125 B124 107.4(7) . . ?
B121 B125 B123 107.5(7) . . ?
B120 B125 B123 106.4(7) . . ?
B122 B125 B123 61.4(6) . . ?
B124 B125 B123 59.2(6) . . ?
O129 N127 O128 117.9(12) . . ?
O129 N127 C126 122.9(11) . . ?
O128 N127 C126 119.2(10) . . ?
O132 N131 O133 128(2) . . ?
O132 N131 C130 122(2) . . ?
O133 N131 C130 110(2) . . ?
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
Fe1A N18A 1.916(7) . ?
Fe1A N2A 1.917(7) . ?
Fe1A N25A 1.958(8) . ?
Fe1A N30A 1.980(8) . ?
Fe1A N14A 1.983(7) . ?
Fe1A N9A 1.996(8) . ?
N2A C3A 1.311(13) . ?
N2A C7A 1.349(13) . ?
C3A C4A 1.426(15) . ?
C3A N8A 1.449(15) . ?
C4A C5A 1.284(19) . ?
C5A C6A 1.452(19) . ?
C6A C7A 1.406(12) . ?
C7A N13A 1.404(13) . ?
N8A N9A 1.343(12) . ?
N8A C12A 1.357(15) . ?
N9A C10A 1.292(13) . ?
C10A C11A 1.447(16) . ?
C11A C12A 1.31(2) . ?
N13A C17A 1.334(12) . ?
N13A N14A 1.371(10) . ?
N14A C15A 1.344(12) . ?
C15A C16A 1.381(12) . ?
C16A C17A 1.357(15) . ?
N18A C23A 1.322(13) . ?
N18A C19A 1.340(13) . ?
C19A N24A 1.407(13) . ?
C19A C20A 1.416(12) . ?
C20A C21A 1.359(19) . ?
C21A C22A 1.40(2) . ?
C22A C23A 1.371(15) . ?
C23A N29A 1.429(14) . ?
N24A C28A 1.349(13) . ?
N24A N25A 1.397(10) . ?
N25A C26A 1.354(12) . ?
C26A C27A 1.408(15) . ?
C27A C28A 1.430(18) . ?
N29A N30A 1.380(11) . ?
N29A C33A 1.417(15) . ?
N30A C31A 1.315(13) . ?
C31A C32A 1.455(18) . ?
C32A C33A 1.35(2) . ?
Fe1B N18B 2.129(7) . ?
Fe1B N2B 2.163(8) . ?
Fe1B N14B 2.172(8) . ?
Fe1B N25B 2.180(7) . ?
Fe1B N9B 2.202(9) . ?
Fe1B N30B 2.231(8) . ?
N2B C7B 1.279(14) . ?
N2B C3B 1.361(14) . ?
C3B C4B 1.394(14) . ?
C3B N8B 1.406(15) . ?
C4B C5B 1.372(18) . ?
C5B C6B 1.397(19) . ?
C6B C7B 1.395(14) . ?
C7B N13B 1.389(16) . ?
N8B C12B 1.370(15) . ?
N8B N9B 1.395(12) . ?
N9B C10B 1.363(17) . ?
C10B C11B 1.457(18) . ?
C11B C12B 1.329(18) . ?
N13B N14B 1.400(11) . ?
N13B C17B 1.421(14) . ?
N14B C15B 1.308(15) . ?
C15B C16B 1.462(16) . ?
C16B C17B 1.308(17) . ?
N18B C19B 1.341(10) . ?
N18B C23B 1.343(10) . ?
C19B C20B 1.352(12) . ?
C19B N24B 1.438(11) . ?
C20B C21B 1.388(12) . ?
C21B C22B 1.389(12) . ?
C22B C23B 1.386(11) . ?
C23B N29B 1.434(10) . ?
N24B C28B 1.361(12) . ?
N24B N25B 1.373(10) . ?
N25B C26B 1.347(12) . ?
C26B C27B 1.384(14) . ?
C27B C28B 1.385(14) . ?
N29B C33B 1.363(11) . ?
N29B N30B 1.381(10) . ?
N30B C31B 1.334(11) . ?
C31B C32B 1.400(12) . ?
C32B C33B 1.407(13) . ?
Co34 C36 2.045(8) . ?
Co34 C47 2.055(9) . ?
Co34 C35 2.057(8) . ?
Co34 C46 2.064(8) . ?
Co34 B48 2.107(10) . ?
Co34 B39 2.107(10) . ?
Co34 B50 2.113(9) . ?
Co34 B37 2.115(10) . ?
Co34 B49 2.121(10) . ?
Co34 B38 2.128(9) . ?
C35 C36 1.659(12) . ?
C35 B39 1.716(13) . ?
C35 B44 1.720(12) . ?
C35 B40 1.755(12) . ?
C36 B41 1.683(12) . ?
C36 B37 1.704(13) . ?
C36 B40 1.760(14) . ?
B37 B42 1.778(14) . ?
B37 B41 1.807(14) . ?
B37 B38 1.837(14) . ?
B38 B43 1.801(14) . ?
B38 B39 1.818(16) . ?
B38 B42 1.823(14) . ?
B39 B43 1.771(14) . ?
B39 B44 1.822(13) . ?
B40 B41 1.763(17) . ?
B40 B44 1.785(15) . ?
B40 B45 1.795(15) . ?
B41 B45 1.828(17) . ?
B41 B42 1.840(14) . ?
B42 B43 1.822(17) . ?
B42 B45 1.848(15) . ?
B43 B44 1.765(14) . ?
B43 B45 1.785(15) . ?
B44 B45 1.790(15) . ?
C46 C47 1.608(12) . ?
C46 B55 1.685(12) . ?
C46 B51 1.692(13) . ?
C46 B50 1.705(13) . ?
C47 B52 1.683(14) . ?
C47 B51 1.720(12) . ?
C47 B48 1.726(14) . ?
B48 B52 1.784(14) . ?
B48 B53 1.825(14) . ?
B48 B49 1.830(15) . ?
B49 B53 1.804(14) . ?
B49 B54 1.822(14) . ?
B49 B50 1.831(14) . ?
B50 B54 1.773(15) . ?
B50 B55 1.774(13) . ?
B51 B55 1.722(15) . ?
B51 B56 1.772(15) . ?
B51 B52 1.786(15) . ?
B52 B56 1.788(14) . ?
B52 B53 1.793(15) . ?
B53 B56 1.771(14) . ?
B53 B54 1.772(16) . ?
B54 B55 1.775(16) . ?
B54 B56 1.791(17) . ?
B55 B56 1.769(15) . ?
Co57 C59 2.043(9) . ?
Co57 C58 2.071(9) . ?
Co57 B72 2.081(11) . ?
Co57 C69 2.086(9) . ?
Co57 B73 2.091(9) . ?
Co57 B71 2.094(9) . ?
Co57 B60 2.098(11) . ?
Co57 B62 2.100(12) . ?
Co57 B61 2.114(10) . ?
Co57 C70 2.121(8) . ?
C58 C59 1.595(13) . ?
C58 B62 1.675(14) . ?
C58 B67 1.675(15) . ?
C58 B63 1.711(14) . ?
C59 B63 1.722(15) . ?
C59 B64 1.736(15) . ?
C59 B60 1.751(15) . ?
B60 B65 1.742(18) . ?
B60 B61 1.772(17) . ?
B60 B64 1.798(17) . ?
B61 B65 1.811(17) . ?
B61 B66 1.831(16) . ?
B61 B62 1.834(15) . ?
B62 B66 1.812(15) . ?
B62 B67 1.823(15) . ?
B63 B67 1.727(16) . ?
B63 B64 1.763(17) . ?
B63 B68 1.782(15) . ?
B64 B65 1.771(18) . ?
B64 B68 1.784(18) . ?
B65 B66 1.779(16) . ?
B65 B68 1.794(15) . ?
B66 B68 1.746(15) . ?
B66 B67 1.784(15) . ?
B67 B68 1.768(14) . ?
C69 C70 1.597(10) . ?
C69 B78 1.662(14) . ?
C69 B73 1.695(13) . ?
C69 B74 1.747(15) . ?
C70 B75 1.629(14) . ?
C70 B74 1.640(14) . ?
C70 B71 1.753(13) . ?
B71 B76 1.811(14) . ?
B71 B72 1.825(14) . ?
B71 B75 1.837(16) . ?
B72 B73 1.794(14) . ?
B72 B77 1.838(15) . ?
B72 B76 1.841(16) . ?
B73 B77 1.804(15) . ?
B73 B78 1.808(15) . ?
B74 B75 1.772(16) . ?
B74 B78 1.793(16) . ?
B74 B79 1.798(17) . ?
B75 B76 1.777(18) . ?
B75 B79 1.812(16) . ?
B76 B77 1.812(15) . ?
B76 B79 1.822(18) . ?
B77 B79 1.761(17) . ?
B77 B78 1.778(16) . ?
B78 B79 1.785(15) . ?
Co80 B94 2.041(11) . ?
Co80 C92 2.066(8) . ?
Co80 C82 2.076(9) . ?
Co80 C93 2.078(8) . ?
Co80 C81 2.078(9) . ?
Co80 B96 2.090(10) . ?
Co80 B84 2.093(11) . ?
Co80 B85 2.095(11) . ?
Co80 B83 2.120(9) . ?
Co80 B95 2.155(10) . ?
C81 C82 1.634(13) . ?
C81 B90 1.678(15) . ?
C81 B86 1.729(15) . ?
C81 B85 1.732(15) . ?
C82 B87 1.697(13) . ?
C82 B86 1.734(16) . ?
C82 B83 1.736(13) . ?
B83 B88 1.775(16) . ?
B83 B84 1.809(14) . ?
B83 B87 1.826(15) . ?
B84 B88 1.786(15) . ?
B84 B89 1.806(15) . ?
B84 B85 1.819(14) . ?
B85 B89 1.791(14) . ?
B85 B90 1.811(14) . ?
B86 B90 1.771(18) . ?
B86 B87 1.799(17) . ?
B86 B91 1.810(18) . ?
B87 B91 1.786(18) . ?
B87 B88 1.811(17) . ?
B88 B89 1.791(16) . ?
B88 B91 1.814(17) . ?
B89 B91 1.805(17) . ?
B89 B90 1.812(15) . ?
B90 B91 1.786(15) . ?
C92 C93 1.596(13) . ?
C92 B101 1.719(13) . ?
C92 B97 1.727(15) . ?
C92 B96 1.728(14) . ?
C93 B98 1.641(14) . ?
C93 B97 1.686(15) . ?
C93 B94 1.704(12) . ?
B94 B98 1.783(15) . ?
B94 B95 1.787(15) . ?
B94 B99 1.801(14) . ?
B95 B100 1.749(16) . ?
B95 B99 1.763(16) . ?
B95 B96 1.771(15) . ?
B96 B100 1.753(16) . ?
B96 B101 1.825(17) . ?
B97 B101 1.764(16) . ?
B97 B102 1.799(16) . ?
B97 B98 1.831(16) . ?
B98 B99 1.778(17) . ?
B98 B102 1.808(17) . ?
B99 B102 1.810(18) . ?
B99 B100 1.818(16) . ?
B100 B101 1.752(17) . ?
B100 B102 1.78(2) . ?
B101 B102 1.770(18) . ?
Co10 C105 2.032(8) . ?
Co10 C104 2.037(8) . ?
Co10 C115 2.042(8) . ?
Co10 C116 2.051(9) . ?
Co10 B108 2.092(9) . ?
Co10 B107 2.097(10) . ?
Co10 B106 2.104(10) . ?
Co10 B117 2.104(9) . ?
Co10 B118 2.115(9) . ?
Co10 B119 2.126(10) . ?
C104 C105 1.604(12) . ?
C104 B113 1.679(13) . ?
C104 B108 1.705(12) . ?
C104 B109 1.741(11) . ?
C105 B110 1.687(12) . ?
C105 B106 1.699(13) . ?
C105 B109 1.744(13) . ?
B106 B111 1.764(14) . ?
B106 B110 1.786(13) . ?
B106 B107 1.788(15) . ?
B107 B111 1.806(14) . ?
B107 B108 1.827(15) . ?
B107 B112 1.831(15) . ?
B108 B112 1.788(14) . ?
B108 B113 1.804(13) . ?
B109 B114 1.745(14) . ?
B109 B113 1.751(13) . ?
B109 B110 1.765(14) . ?
B110 B111 1.792(15) . ?
B110 B114 1.792(15) . ?
B111 B112 1.803(17) . ?
B111 B114 1.816(15) . ?
B112 B113 1.785(17) . ?
B112 B114 1.807(15) . ?
B113 B114 1.779(15) . ?
C115 C116 1.614(12) . ?
C115 B124 1.670(12) . ?
C115 B119 1.694(13) . ?
C115 B120 1.735(13) . ?
C116 B117 1.711(13) . ?
C116 B121 1.734(14) . ?
C116 B120 1.753(13) . ?
B117 B122 1.783(14) . ?
B117 B121 1.803(14) . ?
B117 B118 1.860(14) . ?
B118 B123 1.795(13) . ?
B118 B119 1.818(15) . ?
B118 B122 1.838(14) . ?
B119 B123 1.767(14) . ?
B119 B124 1.780(14) . ?
B120 B124 1.722(15) . ?
B120 B125 1.771(14) . ?
B120 B121 1.786(16) . ?
B121 B122 1.737(16) . ?
B121 B125 1.749(15) . ?
B122 B125 1.789(15) . ?
B122 B123 1.832(16) . ?
B123 B124 1.773(14) . ?
B123 B125 1.801(15) . ?
B124 B125 1.791(15) . ?
C126 N127 1.429(16) . ?
N127 O129 1.152(13) . ?
N127 O128 1.307(13) . ?
C130 N131 1.29(3) . ?
N131 O132 1.14(2) . ?
N131 O133 1.23(2) . ?
