#------------------------------------------------------------------------------
#$Date: 2019-11-25 08:48:01 +0200 (Mon, 25 Nov 2019) $
#$Revision: 240558 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/99/4129921.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_4129921
loop_
_publ_author_name
'Chorazy, Szymon'
'Stanek, Jan J.'
'Nogaś, Wojciech'
'Majcher, Anna M.'
'Rams, Michał'
'Kozieł, Marcin'
'Juszyńska-Gałązka, Ewa'
'Nakabayashi, Koji'
'Ohkoshi, Shin-ichi'
'Sieklucka, Barbara'
'Podgajny, Robert'
_publ_section_title
;
 Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic
 Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular
 Solid Solution.
;
_journal_issue                   5
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1635
_journal_page_last               1646
_journal_paper_doi               10.1021/jacs.5b11924
_journal_volume                  138
_journal_year                    2016
_chemical_formula_moiety         'C84 H60 Co7 Fe2 N48 O36 W6'
_chemical_formula_sum            'C84 H60 Co7 Fe2 N48 O36 W6'
_chemical_formula_weight         3945.11
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2015-01-27T17:49:09-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 114.6600(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   29.0418(13)
_cell_length_b                   18.7104(10)
_cell_length_c                   32.3007(15)
_cell_measurement_reflns_used    62750
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.013
_cell_measurement_wavelength     0.71075
_cell_volume                     15951.0(13)
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0915
_diffrn_reflns_av_unetI/netI     0.0926
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            62750
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.013
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.26
_exptl_absorpt_correction_T_max  0.657
_exptl_absorpt_correction_T_min  0.504
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.643
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7492
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         3.705
_refine_diff_density_min         -5.13
_refine_diff_density_rms         0.281
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     849
_refine_ls_number_reflns         18136
_refine_ls_number_restraints     123
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.1666
_refine_ls_R_factor_gt           0.1127
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+1638.8214P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2097
_refine_ls_wR_factor_ref         0.2388
_reflns_Friedel_coverage         0
_reflns_number_gt                11571
_reflns_number_total             18136
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja5b11924_si_003.cif
_cod_data_source_block           Co7Fe2W6_LT
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4129921
_shelx_estimated_absorpt_t_min   0.468
_shelx_estimated_absorpt_t_max   0.678
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.41886(3) 0.83615(5) 0.11803(4) 0.0653(3) Uani 1 1 d . . . . .
W2 W 0.67733(3) 0.65459(5) 0.23739(3) 0.0481(2) Uani 1 1 d . . . . .
W3 W 0.44027(3) 0.43543(5) 0.12369(2) 0.0458(2) Uani 1 1 d . . . . .
Co1 Co 0.5 0.64211(16) 0.25 0.0282(6) Uani 1 2 d S T P . .
Co2 Co 0.60560(11) 0.91965(17) 0.23202(16) 0.0855(13) Uani 1 1 d . . . . .
Fe5 Fe 0.28564(9) 0.61916(17) 0.08630(10) 0.0559(8) Uani 0.5 1 d . . P . .
Co5 Co 0.28564(9) 0.61916(17) 0.08630(10) 0.0559(8) Uani 0.5 1 d . . P . .
Co3 Co 0.62956(8) 0.37994(13) 0.24821(8) 0.0373(5) Uani 0.5 1 d . . P . .
Fe3 Fe 0.62956(8) 0.37994(13) 0.24821(8) 0.0373(5) Uani 0.5 1 d . . P . .
Co4 Co 0.52731(11) 0.6495(2) 0.06852(10) 0.0715(10) Uani 1 1 d . . . . .
C11 C 0.4522(6) 0.7582(10) 0.1712(7) 0.048(5) Uani 1 1 d . . . . .
N11 N 0.4713(5) 0.7180(8) 0.1993(5) 0.042(3) Uani 1 1 d . . . . .
C12 C 0.4096(7) 0.8795(13) 0.1767(10) 0.067(7) Uani 1 1 d . . . . .
N12 N 0.4064(7) 0.8955(11) 0.2094(10) 0.092(8) Uani 1 1 d . . . . .
C13 C 0.4922(8) 0.8711(12) 0.1622(9) 0.062(6) Uani 1 1 d . . . . .
N13 N 0.5326(7) 0.8878(10) 0.1864(8) 0.078(7) Uani 1 1 d . . . . .
C14 C 0.4658(7) 0.7701(10) 0.0974(6) 0.045(4) Uani 1 1 d . U . . .
N14 N 0.4887(6) 0.7272(11) 0.0866(5) 0.061(5) Uani 1 1 d . . . . .
C15 C 0.3656(7) 0.7518(11) 0.1056(8) 0.059(6) Uani 1 1 d . . . . .
N15 N 0.3357(7) 0.7063(11) 0.0971(7) 0.074(6) Uani 1 1 d . . . . .
C16 C 0.3464(10) 0.8916(17) 0.0936(12) 0.104(10) Uani 1 1 d . . . . .
N16 N 0.3069(10) 0.9160(15) 0.0769(13) 0.150(14) Uani 1 1 d . . . . .
C17 C 0.3821(8) 0.8299(14) 0.0449(10) 0.082(8) Uani 1 1 d . . . . .
N17 N 0.3615(9) 0.8228(17) 0.0044(7) 0.116(10) Uani 1 1 d . . . . .
C18 C 0.4332(12) 0.9357(19) 0.0937(11) 0.108(10) Uani 1 1 d . U . . .
N18 N 0.4444(12) 0.9940(17) 0.0860(11) 0.150(11) Uani 1 1 d . U . . .
C21 C 0.6061(6) 0.6486(9) 0.2431(6) 0.039(4) Uani 1 1 d . . . . .
N21 N 0.5684(4) 0.6445(7) 0.2454(5) 0.035(3) Uani 1 1 d . . . . .
C22 C 0.6483(8) 0.7623(13) 0.2329(10) 0.078(8) Uani 1 1 d . . . . .
N22 N 0.6343(6) 0.8166(10) 0.2313(7) 0.072(6) Uani 1 1 d . . . . .
C23 C 0.6564(6) 0.5429(11) 0.2365(6) 0.044(5) Uani 1 1 d . . . . .
N23 N 0.6462(5) 0.4875(9) 0.2406(5) 0.044(4) Uani 1 1 d . . . . .
C24 C 0.6201(8) 0.6452(11) 0.1684(8) 0.052(5) Uani 1 1 d . . . . .
N24 N 0.5884(7) 0.6442(10) 0.1337(7) 0.062(5) Uani 1 1 d . . . . .
C25 C 0.6960(6) 0.6344(9) 0.3074(8) 0.046(5) Uani 1 1 d . . . . .
N25 N 0.7045(6) 0.6253(9) 0.3458(6) 0.053(4) Uani 1 1 d . . . . .
C26 C 0.7413(8) 0.5924(11) 0.2455(10) 0.074(8) Uani 1 1 d . . . . .
N26 N 0.7749(8) 0.5579(15) 0.2504(12) 0.145(13) Uani 1 1 d . . . . .
C27 C 0.7036(12) 0.704(2) 0.1920(12) 0.114(10) Uani 1 1 d . U . . .
N27A N 0.7224(17) 0.751(3) 0.178(2) 0.11(2) Uani 0.5 1 d . . P . .
N27B N 0.7180(17) 0.706(3) 0.1588(16) 0.075(13) Uiso 0.5 1 d . . P . .
C28 C 0.7411(8) 0.7191(12) 0.2759(9) 0.064(6) Uani 1 1 d . . . . .
N28 N 0.7758(7) 0.7541(11) 0.2947(9) 0.090(7) Uani 1 1 d . . . . .
C31 C 0.4643(5) 0.5190(9) 0.1750(5) 0.032(3) Uani 1 1 d . . . . .
N31 N 0.4758(5) 0.5642(8) 0.2006(4) 0.036(3) Uani 1 1 d . . . . .
C32 C 0.5147(6) 0.4065(11) 0.1750(5) 0.044(5) Uani 1 1 d . . . . .
N32 N 0.5541(5) 0.3917(8) 0.2005(5) 0.043(4) Uani 1 1 d . . . . .
C33 C 0.4099(6) 0.4094(9) 0.1730(4) 0.034(4) Uani 1 1 d . . . . .
N33 N 0.3935(5) 0.3971(8) 0.1986(5) 0.042(3) Uani 1 1 d . . . . .
C34 C 0.4704(7) 0.5209(12) 0.0969(5) 0.051(5) Uani 1 1 d . . . . .
N34 N 0.4886(6) 0.5652(11) 0.0850(5) 0.058(5) Uani 1 1 d . . . . .
C35 C 0.3778(6) 0.5068(10) 0.1078(5) 0.038(4) Uani 1 1 d . . . . .
N35 N 0.3448(6) 0.5462(9) 0.0994(5) 0.046(4) Uani 1 1 d . . . . .
C36A C 0.4366(16) 0.319(3) 0.1356(15) 0.075(11) Uani 0.6 1 d . U P . .
N36A N 0.4374(12) 0.2575(18) 0.1429(10) 0.063(7) Uani 0.6 1 d . U P . .
C36B C 0.415(3) 0.337(4) 0.105(3) 0.09(2) Uiso 0.4 1 d . . P . .
N36B N 0.398(2) 0.264(3) 0.1064(19) 0.086(16) Uiso 0.4 1 d . . P . .
C37A C 0.3774(17) 0.394(3) 0.0657(16) 0.082(12) Uani 0.6 1 d . U P . .
N37A N 0.346(2) 0.385(3) 0.0280(19) 0.144(19) Uani 0.6 1 d . U P . .
C37B C 0.3936(13) 0.436(2) 0.0501(12) 0.027(7) Uiso 0.4 1 d . . P . .
N37B N 0.3755(14) 0.437(2) 0.0110(12) 0.057(10) Uiso 0.4 1 d D . P . .
C38 C 0.4785(8) 0.3838(14) 0.0872(7) 0.068(7) Uani 1 1 d . . . . .
N38 N 0.5007(8) 0.3597(12) 0.0686(6) 0.082(7) Uani 1 1 d . . . . .
O41 O 0.4717(6) 0.6538(10) 0.0018(4) 0.087(6) Uani 1 1 d . . . A 1
C42A C 0.4286(14) 0.699(2) -0.0144(13) 0.057(10) Uani 0.5 1 d . U P A 1
H42A H 0.4109 0.6941 0.0055 0.086 Uiso 1 1 calc R U . A 1
H42B H 0.4059 0.6846 -0.0454 0.086 Uiso 1 1 calc R U . A 1
H42C H 0.4393 0.7484 -0.0143 0.086 Uiso 1 1 calc R U . A 1
O43 O 0.5644(7) 0.7313(14) 0.0488(7) 0.133(10) Uani 1 1 d . . . B 1
C44 C 0.6122(13) 0.736(3) 0.0545(16) 0.19(2) Uani 1 1 d . . . B 1
H44A H 0.6346 0.7201 0.0854 0.29 Uiso 1 1 calc R U . B 1
H44B H 0.62 0.7856 0.0503 0.29 Uiso 1 1 calc R U . B 1
H44C H 0.6174 0.7054 0.0322 0.29 Uiso 1 1 calc R U . B 1
O45 O 0.5664(7) 0.5807(12) 0.0437(6) 0.090(5) Uani 1 1 d . U . C 1
C46A C 0.5562(14) 0.526(2) 0.0340(12) 0.046(9) Uani 0.5 1 d . U P C 1
H46A H 0.5598 0.4986 0.0609 0.069 Uiso 0.5 1 calc R U P C 1
H46B H 0.5784 0.5066 0.021 0.069 Uiso 0.5 1 calc R U P C 1
H46C H 0.521 0.5244 0.0113 0.069 Uiso 0.5 1 calc R U P C 1
O51 O 0.2701(6) 0.6145(10) 0.0169(5) 0.085(6) Uani 1 1 d . U . D 1
C52A C 0.277(3) 0.661(4) -0.0089(17) 0.13(3) Uani 0.5 1 d . U P D 1
H52A H 0.2607 0.7056 -0.0067 0.188 Uiso 0.5 1 calc R U P D 1
H52B H 0.2613 0.6435 -0.0404 0.188 Uiso 0.5 1 calc R U P D 1
H52C H 0.313 0.6682 0.0005 0.188 Uiso 0.5 1 calc R U P D 1
O53 O 0.2240(6) 0.6892(12) 0.0678(7) 0.103(7) Uani 1 1 d . . . E 1
C54 C 0.2197(13) 0.749(2) 0.0940(13) 0.134(13) Uani 1 1 d . U . E 1
H54A H 0.187 0.7728 0.0774 0.201 Uiso 0.5 1 calc R U P E 1
H54B H 0.222 0.7321 0.1235 0.201 Uiso 0.5 1 calc R U P E 1
H54C H 0.2472 0.783 0.0989 0.201 Uiso 0.5 1 calc R U P E 1
H54D H 0.2504 0.7525 0.1224 0.201 Uiso 0.5 1 calc R U P E 1
H54E H 0.2155 0.7931 0.0764 0.201 Uiso 0.5 1 calc R U P E 1
H54F H 0.1903 0.7423 0.101 0.201 Uiso 0.5 1 calc R U P E 1
O55 O 0.2339(6) 0.5340(10) 0.0710(6) 0.084(5) Uani 1 1 d D U . F 1
C56A C 0.249(3) 0.474(4) 0.110(3) 0.14(3) Uani 0.5 1 d . U P F 1
H56A H 0.2658 0.4338 0.1023 0.214 Uiso 0.5 1 calc R U P F 1
H56B H 0.218 0.456 0.1121 0.214 Uiso 0.5 1 calc R U P F 1
H56C H 0.2716 0.4941 0.1393 0.214 Uiso 0.5 1 calc R U P F 1
O61 O 0.6208(6) 0.9495(11) 0.1744(9) 0.112(8) Uani 1 1 d . . . G 1
C62 C 0.6089(16) 0.899(3) 0.1357(16) 0.18(2) Uani 1 1 d . . . G 1
H62A H 0.6394 0.8917 0.1303 0.27 Uiso 1 1 calc R U . G 1
H62B H 0.5821 0.9199 0.1082 0.27 Uiso 1 1 calc R U . G 1
H62C H 0.5975 0.8537 0.1428 0.27 Uiso 1 1 calc R U . G 1
O63 O 0.6761(6) 0.9555(9) 0.2738(8) 0.105(7) Uani 1 1 d . . . H 1
C64 C 0.7119(10) 0.9197(19) 0.3110(11) 0.115(12) Uani 1 1 d . . . H 1
H64A H 0.7215 0.9495 0.3383 0.172 Uiso 1 1 calc R U . H 1
H64B H 0.742 0.9098 0.3055 0.172 Uiso 1 1 calc R U . H 1
H64C H 0.6975 0.8746 0.3156 0.172 Uiso 1 1 calc R U . H 1
O65 O 0.5832(6) 1.0259(9) 0.2344(8) 0.112(8) Uani 1 1 d D . . I 1
C66 C 0.5352(12) 1.0521(19) 0.2086(12) 0.127(12) Uani 1 1 d . U . I 1
H66A H 0.5123 1.0124 0.1936 0.191 Uiso 1 1 calc R U . I 1
H66B H 0.5365 1.085 0.1855 0.191 Uiso 1 1 calc R U . I 1
H66C H 0.5227 1.0776 0.2283 0.191 Uiso 1 1 calc R U . I 1
O71 O 0.7047(5) 0.3688(7) 0.2970(5) 0.057(4) Uani 1 1 d . U . J 1
C72 C 0.7495(10) 0.3929(17) 0.2910(11) 0.105(9) Uani 1 1 d . U . J 1
H72A H 0.7437 0.4414 0.2783 0.157 Uiso 1 1 calc R U . J 1
H72B H 0.7559 0.3605 0.2701 0.157 Uiso 1 1 calc R U . J 1
H72C H 0.7789 0.3931 0.3205 0.157 Uiso 1 1 calc R U . J 1
O73 O 0.6525(5) 0.3530(8) 0.1961(4) 0.059(4) Uani 1 1 d . . . K 1
C74 C 0.6339(9) 0.3839(16) 0.1513(7) 0.086(9) Uani 1 1 d . . . K 1
H74A H 0.5973 0.3761 0.1356 0.129 Uiso 1 1 calc R U . K 1
H74B H 0.6507 0.3612 0.134 0.129 Uiso 1 1 calc R U . K 1
H74C H 0.641 0.4353 0.1539 0.129 Uiso 1 1 calc R U . K 1
O75 O 0.6203(6) 0.2693(8) 0.2548(6) 0.078(5) Uani 1 1 d . . . L 1
C76A C 0.6496(16) 0.212(2) 0.2665(16) 0.063(11) Uani 0.5 1 d . U P L 1
H76A H 0.629 0.1699 0.2648 0.095 Uiso 0.25 1 calc R U P L 1
H76B H 0.666 0.2064 0.2456 0.095 Uiso 0.25 1 calc R U P L 1
H76C H 0.6755 0.2179 0.2977 0.095 Uiso 0.25 1 calc R U P L 1
H76D H 0.6847 0.2263 0.2739 0.095 Uiso 0.25 1 calc R U P L 1
H76E H 0.6477 0.1897 0.2931 0.095 Uiso 0.25 1 calc R U P L 1
H76F H 0.6382 0.1782 0.2411 0.095 Uiso 0.25 1 calc R U P L 1
C42B C 0.415(2) 0.651(3) -0.0128(19) 0.081(15) Uiso 0.5 1 d . . P M 2
C46B C 0.584(2) 0.497(3) 0.0622(19) 0.080(15) Uiso 0.5 1 d . . P N 2
C52B C 0.314(2) 0.611(3) 0.0026(19) 0.084(15) Uiso 0.5 1 d . . P O 2
C56B C 0.188(2) 0.539(4) 0.087(2) 0.104(19) Uiso 0.5 1 d . . P P 2
C76B C 0.623(2) 0.211(3) 0.224(2) 0.094(17) Uiso 0.5 1 d . . P Q 2
C1 C 0.127(2) 0.638(3) 0.133(2) 0.13(2) Uiso 0.5 1 d D . P . .
O1 O 0.1002(12) 0.5727(18) 0.1293(11) 0.074(9) Uiso 0.5 1 d D . P . .
C2B C 0.384(4) 0.071(5) 0.1429(19) 0.08(3) Uiso 0.3 1 d D . P . .
C2A C 0.409(2) 0.098(3) 0.160(2) 0.14(2) Uiso 0.7 1 d D . P . .
O2 O 0.3815(16) 0.080(3) 0.1859(14) 0.266(19) Uiso 1 1 d D . . . .
C3 C 0.275(3) 0.446(5) -0.097(3) 0.17(3) Uiso 0.5 1 d D . P . .
O3 O 0.322(2) 0.409(3) -0.0785(12) 0.17(2) Uiso 0.5 1 d D . P . .
C4A C 0.289(3) 0.284(5) 0.096(2) 0.22(4) Uiso 0.7 1 d D . P . .
O4A O 0.2646(10) 0.3028(16) 0.1251(10) 0.098(8) Uiso 0.7 1 d D . P . .
C4B C 0.299(3) 0.235(6) 0.116(3) 0.10(3) Uiso 0.3 1 d D . P . .
O4B O 0.340(3) 0.217(4) 0.158(2) 0.11(2) Uiso 0.3 1 d D . P . .
O5 O -0.0046(18) 0.608(2) 0.0775(16) 0.28(2) Uiso 1 1 d D . . R 1
C5A C -0.0213(17) 0.662(2) 0.0991(15) 0.094(12) Uiso 0.7 1 d D . P R 1
C5B C -0.051(4) 0.646(10) 0.063(7) 0.24(9) Uiso 0.3 1 d D . P S 2
C6 C 0.219(3) 0.420(4) 0.030(2) 0.12(2) Uiso 0.5 1 d D . P . .
O6A O 0.230(3) 0.443(4) -0.007(2) 0.12(3) Uiso 0.3 1 d D . P . .
O6B O 0.179(4) 0.428(7) -0.014(3) 0.14(4) Uiso 0.2 1 d D . P . .
O7 O 0.0131(17) 0.342(3) -0.0028(17) 0.27(2) Uiso 1 1 d D . . T 1
C7 C -0.002(3) 0.399(4) 0.018(3) 0.30(4) Uiso 1 1 d D . . T 1
O8 O 0.5 0.254(3) 0.25 0.23(2) Uiso 1 2 d DS . P . .
C8 C 0.5455(14) 0.217(2) 0.2774(15) 0.075(13) Uiso 0.5 1 d 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'
H H 0 0 '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 0.006 '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'
W W -0.849 6.8722 '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'
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
C13 W1 C15 143.7(7) . .
C13 W1 C18 71.4(10) . .
C15 W1 C18 144.9(10) . .
C13 W1 C14 78.2(8) . .
C15 W1 C14 91.2(7) . .
C18 W1 C14 98.1(10) . .
C13 W1 C11 71.3(7) . .
C15 W1 C11 72.4(7) . .
C18 W1 C11 142.7(10) . .
C14 W1 C11 74.0(6) . .
C13 W1 C17 131.0(9) . .
C15 W1 C17 76.3(9) . .
C18 W1 C17 74.1(11) . .
C14 W1 C17 73.5(8) . .
C11 W1 C17 133.7(9) . .
C13 W1 C16 130.3(11) . .
C15 W1 C16 76.6(10) . .
C18 W1 C16 76.0(12) . .
C14 W1 C16 143.8(11) . .
C11 W1 C16 131.1(9) . .
C17 W1 C16 70.5(11) . .
C13 W1 C12 75.7(8) . .
C15 W1 C12 95.5(9) . .
C18 W1 C12 96.3(12) . .
C14 W1 C12 144.2(7) . .
C11 W1 C12 74.7(8) . .
C17 W1 C12 142.2(8) . .
C16 W1 C12 71.7(11) . .
C26 W2 C27 76.9(12) . .
C26 W2 C28 74.5(8) . .
C27 W2 C28 71.5(11) . .
C26 W2 C25 87.1(9) . .
C27 W2 C25 143.6(10) . .
C28 W2 C25 72.8(8) . .
C26 W2 C21 141.8(8) . .
C27 W2 C21 135.7(10) . .
C28 W2 C21 127.8(7) . .
C25 W2 C21 74.3(6) . .
C26 W2 C24 110.0(9) . .
C27 W2 C24 70.5(10) . .
C28 W2 C24 139.3(8) . .
C25 W2 C24 145.8(6) . .
C21 W2 C24 74.4(7) . .
C26 W2 C22 144.9(8) . .
C27 W2 C22 78.1(12) . .
C28 W2 C22 74.4(9) . .
C25 W2 C22 99.0(9) . .
C21 W2 C22 72.1(7) . .
C24 W2 C22 84.0(9) . .
C26 W2 C23 72.4(7) . .
C27 W2 C23 125.8(11) . .
C28 W2 C23 136.4(8) . .
C25 W2 C23 77.8(7) . .
C21 W2 C23 71.3(6) . .
C24 W2 C23 79.5(7) . .
C22 W2 C23 142.7(6) . .
C36B W3 C35 110(2) . .
C36B W3 C37A 48(2) . .
C35 W3 C37A 71.8(13) . .
C36B W3 C38 68(2) . .
C35 W3 C38 136.7(7) . .
C37A W3 C38 78.8(13) . .
C36B W3 C34 137(2) . .
C35 W3 C34 83.5(7) . .
C37A W3 C34 104.9(14) . .
C38 W3 C34 74.1(9) . .
C36B W3 C33 78(2) . .
C35 W3 C33 75.7(6) . .
C37A W3 C33 95.8(13) . .
C38 W3 C33 139.4(8) . .
C34 W3 C33 144.4(6) . .
C36B W3 C31 149(2) . .
C35 W3 C31 72.7(6) . .
C37A W3 C31 144.4(13) . .
C38 W3 C31 131.8(8) . .
C34 W3 C31 73.7(6) . .
C33 W3 C31 72.6(6) . .
C36B W3 C32 97(2) . .
C35 W3 C32 144.5(6) . .
C37A W3 C32 142.2(14) . .
C38 W3 C32 74.3(7) . .
C34 W3 C32 92.8(7) . .
C33 W3 C32 87.9(5) . .
C31 W3 C32 72.4(6) . .
C36B W3 C37B 72(2) . .
C35 W3 C37B 69.9(10) . .
C37A W3 C37B 30.4(15) . .
C38 W3 C37B 68.6(11) . .
C34 W3 C37B 74.5(11) . .
C33 W3 C37B 122.7(10) . .
C31 W3 C37B 132.9(11) . .
C32 W3 C37B 142.8(10) . .
C36B W3 C36A 26(2) . .
C35 W3 C36A 123.9(12) . .
C37A W3 C36A 73.2(17) . .
C38 W3 C36A 74.2(12) . .
C34 W3 C36A 148.0(12) . .
C33 W3 C36A 65.8(11) . .
C31 W3 C36A 126.7(12) . .
C32 W3 C36A 74.2(13) . .
C37B W3 C36A 98.1(15) . .
N21 Co1 N21 177.5(8) . 2_655
N21 Co1 N31 89.2(5) . .
N21 Co1 N31 92.5(5) 2_655 .
N21 Co1 N31 92.5(5) . 2_655
N21 Co1 N31 89.2(5) 2_655 2_655
N31 Co1 N31 89.7(8) . 2_655
N21 Co1 N11 87.7(5) . 2_655
N21 Co1 N11 90.6(5) 2_655 2_655
N31 Co1 N11 176.5(5) . 2_655
N31 Co1 N11 88.8(6) 2_655 2_655
N21 Co1 N11 90.6(5) . .
N21 Co1 N11 87.7(5) 2_655 .
N31 Co1 N11 88.8(6) . .
N31 Co1 N11 176.5(5) 2_655 .
N11 Co1 N11 92.9(9) 2_655 .
O63 Co2 N13 176.6(8) . .
O63 Co2 O65 84.6(7) . .
N13 Co2 O65 93.2(7) . .
O63 Co2 N22 90.9(7) . .
N13 Co2 N22 91.2(7) . .
O65 Co2 N22 175.2(6) . .
O63 Co2 N12 88.5(9) . 2_655
N13 Co2 N12 94.2(7) . 2_655
O65 Co2 N12 90.0(9) . 2_655
N22 Co2 N12 91.6(8) . 2_655
O63 Co2 O61 88.6(9) . .
N13 Co2 O61 88.7(8) . .
O65 Co2 O61 88.0(9) . .
N22 Co2 O61 90.2(8) . .
N12 Co2 O61 176.6(9) 2_655 .
N25 Fe5 N35 94.7(6) 2_655 .
N25 Fe5 O53 89.6(7) 2_655 .
N35 Fe5 O53 175.4(7) . .
N25 Fe5 O51 175.8(6) 2_655 .
N35 Fe5 O51 88.9(6) . .
O53 Fe5 O51 86.8(7) . .
N25 Fe5 O55 93.4(7) 2_655 .
N35 Fe5 O55 89.9(7) . .
O53 Fe5 O55 88.0(8) . .
O51 Fe5 O55 84.5(7) . .
N25 Fe5 N15 90.0(8) 2_655 .
N35 Fe5 N15 91.1(6) . .
O53 Fe5 N15 90.7(8) . .
O51 Fe5 N15 92.0(8) . .
O55 Fe5 N15 176.3(7) . .
N32 Co3 O71 178.9(6) . .
N32 Co3 N23 91.9(6) . .
O71 Co3 N23 88.0(5) . .
N32 Co3 O75 92.2(6) . .
O71 Co3 O75 87.9(6) . .
N23 Co3 O75 173.6(6) . .
N32 Co3 N33 89.6(5) . 2_655
O71 Co3 N33 89.3(5) . 2_655
N23 Co3 N33 96.6(6) . 2_655
O75 Co3 N33 88.3(6) . 2_655
N32 Co3 O73 91.1(5) . .
O71 Co3 O73 90.0(5) . .
N23 Co3 O73 88.4(6) . .
O75 Co3 O73 86.6(6) . .
N33 Co3 O73 174.9(6) 2_655 .
N14 Co4 O45 172.3(7) . .
N14 Co4 O41 89.2(6) . .
O45 Co4 O41 86.5(7) . .
N14 Co4 O43 88.9(8) . .
O45 Co4 O43 84.5(8) . .
O41 Co4 O43 86.2(8) . .
N14 Co4 N24 94.6(7) . .
O45 Co4 N24 89.4(7) . .
O41 Co4 N24 175.0(6) . .
O43 Co4 N24 90.7(7) . .
N14 Co4 N34 92.5(7) . .
O45 Co4 N34 94.0(7) . .
O41 Co4 N34 91.5(7) . .
O43 Co4 N34 177.2(8) . .
N24 Co4 N34 91.5(6) . .
N11 C11 W1 177.7(15) . .
C11 N11 Co1 175.0(14) . .
N12 C12 W1 173(2) . .
C12 N12 Co2 175(2) . 2_655
N13 C13 W1 178(2) . .
C13 N13 Co2 178(2) . .
N14 C14 W1 172.4(16) . .
C14 N14 Co4 178.0(16) . .
N15 C15 W1 178(2) . .
C15 N15 Fe5 175.5(18) . .
N16 C16 W1 173(4) . .
N17 C17 W1 177(3) . .
N18 C18 W1 171(3) . .
N21 C21 W2 178.6(17) . .
C21 N21 Co1 177.3(15) . .
N22 C22 W2 179(3) . .
C22 N22 Co2 176(2) . .
N23 C23 W2 172.5(16) . .
C23 N23 Co3 177.4(13) . .
N24 C24 W2 174.5(18) . .
C24 N24 Co4 176.2(19) . .
N25 C25 W2 176.9(16) . .
C25 N25 Co5 173.4(16) . 2_655
C25 N25 Fe5 173.4(16) . 2_655
N26 C26 W2 178(3) . .
N27A C27 N27B 48(3) . .
N27A C27 W2 156(5) . .
N27B C27 W2 156(4) . .
N27B N27A C27 71(4) . .
N27A N27B C27 62(4) . .
N28 C28 W2 177(2) . .
N31 C31 W3 177.6(15) . .
C31 N31 Co1 176.4(14) . .
N32 C32 W3 177.4(14) . .
C32 N32 Co3 171.9(16) . .
N33 C33 W3 178.5(15) . .
C33 N33 Fe3 173.5(13) . 2_655
C33 N33 Co3 173.5(13) . 2_655
N34 C34 W3 176.1(17) . .
C34 N34 Co4 175.2(16) . .
N35 C35 W3 178.8(16) . .
C35 N35 Fe5 178.2(14) . .
C36B C36A N36A 120(7) . .
C36B C36A N36B 68(6) . .
N36A C36A N36B 54(3) . .
C36B C36A W3 62(6) . .
N36A C36A W3 176(4) . .
N36B C36A W3 129(4) . .
C36A N36A N36B 77(4) . .
N36B N36A C36B 52(3) . .
C36A C36B N36B 74(6) . .
C36A C36B C37A 159(8) . .
N36B C36B C37A 119(6) . .
C37A C36B N36A 161(5) . .
C36A C36B W3 92(6) . .
N36B C36B W3 162(6) . .
C37A C36B W3 72(3) . .
N36A C36B W3 125(4) . .
N36A N36B C36B 86(5) . .
N36A N36B C36A 49(3) . .
C37B C37A N37A 86(5) . .
C37B C37A C36B 121(5) . .
N37A C37A C36B 133(5) . .
N37A C37A N37B 53(4) . .
C36B C37A N37B 137(4) . .
C37B C37A W3 77(3) . .
N37A C37A W3 163(5) . .
C36B C37A W3 61(3) . .
N37B C37A W3 110(2) . .
C37A N37A N37B 89(4) . .
C37A N37A C37B 46(3) . .
C37A C37B N37B 114(4) . .
C37A C37B N37A 48(3) . .
N37B C37B N37A 66(3) . .
C37A C37B W3 73(3) . .
N37B C37B W3 170(3) . .
N37A C37B W3 121(3) . .
C37B N37B N37A 71(3) . .
N38 C38 W3 176(2) . .
C42A O41 Co4 126.1(18) . .
O41 C42A H42A 109.5 . .
O41 C42A H42B 109.5 . .
H42A C42A H42B 109.5 . .
O41 C42A H42C 109.5 . .
H42A C42A H42C 109.5 . .
H42B C42A H42C 109.5 . .
C44 O43 Co4 130(2) . .
O43 C44 H44A 109.5 . .
O43 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
O43 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C46A O45 Co4 125(2) . .
O45 C46A H46A 109.5 . .
O45 C46A H46B 109.5 . .
H46A C46A H46B 109.5 . .
O45 C46A H46C 109.5 . .
H46A C46A H46C 109.5 . .
H46B C46A H46C 109.5 . .
C52A O51 Fe5 131(3) . .
O51 C52A H52A 109.5 . .
O51 C52A H52B 109.5 . .
H52A C52A H52B 109.5 . .
O51 C52A H52C 109.5 . .
H52A C52A H52C 109.5 . .
H52B C52A H52C 109.5 . .
C54 O53 Fe5 126.3(18) . .
O53 C54 H54A 109.5 . .
O53 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
O53 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
O53 C54 H54D 109.5 . .
H54A C54 H54D 141.1 . .
H54B C54 H54D 56.3 . .
H54C C54 H54D 56.3 . .
O53 C54 H54E 109.5 . .
H54A C54 H54E 56.3 . .
H54B C54 H54E 141.1 . .
H54C C54 H54E 56.3 . .
H54D C54 H54E 109.5 . .
O53 C54 H54F 109.5 . .
H54A C54 H54F 56.3 . .
H54B C54 H54F 56.3 . .
H54C C54 H54F 141.1 . .
H54D C54 H54F 109.5 . .
H54E C54 H54F 109.5 . .
C56A O55 Fe5 115(3) . .
O55 C56A H56A 109.5 . .
O55 C56A H56B 109.5 . .
H56A C56A H56B 109.5 . .
O55 C56A H56C 109.5 . .
H56A C56A H56C 109.5 . .
H56B C56A H56C 109.5 . .
C62 O61 Co2 120(2) . .
O61 C62 H62A 109.5 . .
O61 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
O61 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
C64 O63 Co2 126.5(16) . .
O63 C64 H64A 109.5 . .
O63 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
O63 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
C66 O65 Co2 124.3(19) . .
O65 C66 H66A 109.5 . .
O65 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
O65 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
C72 O71 Co3 124.9(15) . .
O71 C72 H72A 109.5 . .
O71 C72 H72B 109.5 . .
H72A C72 H72B 109.5 . .
O71 C72 H72C 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
C74 O73 Co3 126.4(12) . .
O73 C74 H74A 109.5 . .
O73 C74 H74B 109.5 . .
H74A C74 H74B 109.5 . .
O73 C74 H74C 109.5 . .
H74A C74 H74C 109.5 . .
H74B C74 H74C 109.5 . .
C76A O75 Co3 137(2) . .
O75 C76A H76A 109.5 . .
O75 C76A H76B 109.5 . .
H76A C76A H76B 109.5 . .
O75 C76A H76C 109.5 . .
H76A C76A H76C 109.5 . .
H76B C76A H76C 109.5 . .
O75 C76A H76D 109.5 . .
H76A C76A H76D 141.1 . .
H76B C76A H76D 56.3 . .
H76C C76A H76D 56.3 . .
O75 C76A H76E 109.5 . .
H76A C76A H76E 56.3 . .
H76B C76A H76E 141.1 . .
H76C C76A H76E 56.3 . .
H76D C76A H76E 109.5 . .
O75 C76A H76F 109.5 . .
H76A C76A H76F 56.3 . .
H76B C76A H76F 56.3 . .
H76C C76A H76F 141.1 . .
H76D C76A H76F 109.5 . .
H76E C76A H76F 109.5 . .
C2A C2B O2 72(2) . .
C2B C2A O2 72(2) . .
C4B C4A O4A 85(7) . .
C4A C4B O4B 131(10) . .
C4A C4B O4A 56(5) . .
O4B C4B O4A 108(7) . .
O6A C6 O6B 59(6) . .
O6B O6A C6 61(3) . .
O6A O6B C6 60(3) . .
C8 O8 C8 122(6) . 2_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 C13 2.11(2) .
W1 C15 2.13(2) .
W1 C18 2.13(3) .
W1 C14 2.14(2) .
W1 C11 2.15(2) .
W1 C17 2.15(3) .
W1 C16 2.18(3) .
W1 C12 2.18(3) .
W2 C26 2.114(18) .
W2 C27 2.12(3) .
W2 C28 2.12(2) .
W2 C25 2.13(2) .
W2 C21 2.155(14) .
W2 C24 2.16(2) .
W2 C22 2.17(2) .
W2 C23 2.17(2) .
W3 C36B 1.97(8) .
W3 C35 2.134(18) .
W3 C37A 2.14(5) .
W3 C38 2.157(16) .
W3 C34 2.17(2) .
W3 C33 2.172(17) .
W3 C31 2.172(18) .
W3 C32 2.172(16) .
W3 C37B 2.19(3) .
W3 C36A 2.23(5) .
Co1 N21 2.053(11) .
Co1 N21 2.053(11) 2_655
Co1 N31 2.057(15) .
Co1 N31 2.057(15) 2_655
Co1 N11 2.061(15) 2_655
Co1 N11 2.061(15) .
Co2 O63 2.040(17) .
Co2 N13 2.10(2) .
Co2 O65 2.102(18) .
Co2 N22 2.104(19) .
Co2 N12 2.11(3) 2_655
Co2 O61 2.16(2) .
Fe5 N25 2.094(19) 2_655
Fe5 N35 2.094(16) .
Fe5 O53 2.095(17) .
Fe5 O51 2.098(16) .
Fe5 O55 2.103(17) .
Fe5 N15 2.11(2) .
Co3 N32 2.100(14) .
Co3 O71 2.102(13) .
Co3 N23 2.108(17) .
Co3 O75 2.109(15) .
Co3 N33 2.111(15) 2_655
Co3 O73 2.114(12) .
Co4 N14 2.064(18) .
Co4 O45 2.085(19) .
Co4 O41 2.088(15) .
Co4 O43 2.115(19) .
Co4 N24 2.12(2) .
Co4 N34 2.129(19) .
C11 N11 1.13(2) .
C12 N12 1.14(3) .
N12 Co2 2.11(3) 2_655
C13 N13 1.15(3) .
C14 N14 1.18(2) .
C15 N15 1.16(3) .
C16 N16 1.14(3) .
C17 N17 1.20(3) .
C18 N18 1.19(4) .
C21 N21 1.131(18) .
C22 N22 1.09(3) .
C23 N23 1.10(2) .
C24 N24 1.11(3) .
C25 N25 1.17(2) .
N25 Co5 2.094(19) 2_655
N25 Fe5 2.094(19) 2_655
C26 N26 1.12(3) .
C27 N27A 1.22(5) .
C27 N27B 1.30(5) .
N27A N27B 1.02(7) .
C28 N28 1.14(3) .
C31 N31 1.13(2) .
C32 N32 1.13(2) .
C33 N33 1.14(2) .
N33 Fe3 2.111(15) 2_655
N33 Co3 2.111(15) 2_655
C34 N34 1.13(3) .
C35 N35 1.15(2) .
C36A C36B 0.97(7) .
C36A N36A 1.16(5) .
C36A N36B 1.52(7) .
N36A N36B 1.26(6) .
N36A C36B 1.86(8) .
C36B N36B 1.47(9) .
C36B C37A 1.67(8) .
C37A C37B 1.14(5) .
C37A N37A 1.19(6) .
C37A N37B 1.92(6) .
N37A N37B 1.54(6) .
N37A C37B 1.58(6) .
C37B N37B 1.15(5) .
C38 N38 1.14(2) .
O41 C42A 1.41(4) .
C42A H42A 0.98 .
C42A H42B 0.98 .
C42A H42C 0.98 .
O43 C44 1.33(3) .
C44 H44A 0.98 .
C44 H44B 0.98 .
C44 H44C 0.98 .
O45 C46A 1.07(4) .
C46A H46A 0.98 .
C46A H46B 0.98 .
C46A H46C 0.98 .
O51 C52A 1.27(5) .
C52A H52A 0.98 .
C52A H52B 0.98 .
C52A H52C 0.98 .
O53 C54 1.44(4) .
C54 H54A 0.98 .
C54 H54B 0.98 .
C54 H54C 0.98 .
C54 H54D 0.98 .
C54 H54E 0.98 .
C54 H54F 0.98 .
O55 C56A 1.61(7) .
C56A H56A 0.98 .
C56A H56B 0.98 .
C56A H56C 0.98 .
O61 C62 1.48(4) .
C62 H62A 0.98 .
C62 H62B 0.98 .
C62 H62C 0.98 .
O63 C64 1.39(3) .
C64 H64A 0.98 .
C64 H64B 0.98 .
C64 H64C 0.98 .
O65 C66 1.38(3) .
C66 H66A 0.98 .
C66 H66B 0.98 .
C66 H66C 0.98 .
O71 C72 1.46(3) .
C72 H72A 0.98 .
C72 H72B 0.98 .
C72 H72C 0.98 .
O73 C74 1.44(2) .
C74 H74A 0.98 .
C74 H74B 0.98 .
C74 H74C 0.98 .
O75 C76A 1.32(4) .
C76A H76A 0.98 .
C76A H76B 0.98 .
C76A H76C 0.98 .
C76A H76D 0.98 .
C76A H76E 0.98 .
C76A H76F 0.98 .
C1 O1 1.427(10) .
C2B C2A 0.87(10) .
C2B O2 1.428(10) .
C2A O2 1.423(10) .
C3 O3 1.430(10) .
C4A C4B 1.09(11) .
C4A O4A 1.428(10) .
O4A C4B 1.71(11) .
C4B O4B 1.429(10) .
O5 C5A 1.427(10) .
C6 O6A 1.427(10) .
C6 O6B 1.431(10) .
O6A O6B 1.41(12) .
O7 C7 1.431(10) .
O8 C8 1.425(10) .
O8 C8 1.425(10) 2_655
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
W2 C27 N27A N27B 172(7)
W2 C27 N27B N27A -172(7)
C36B C36A N36A N36B -16(7)
N36B C36A N36A C36B 16(7)
N36A C36A C36B N36B 14(6)
W3 C36A C36B N36B -169(4)
N36A C36A C36B C37A 145(18)
N36B C36A C36B N36A -14(6)
W3 C36A C36B N36A 177(4)
N36A C36A C36B W3 -177(4)
N36B C36A C36B W3 169(4)
N36B N36A C36B C36A 160(9)
C36A N36A C36B N36B -160(9)
C36A N36A C36B C37A -14E1(2)
N36B N36A C36B C37A 19(14)
C36A N36A C36B W3 4(5)
N36B N36A C36B W3 164(7)
C36A N36A N36B C36B 9(4)
C36B N36A N36B C36A -9(4)
C36A C36B N36B N36A -11(5)
C37A C36B N36B N36A -173(5)
W3 C36B N36B N36A -49(18)
C37A C36B N36B C36A -162(9)
N36A C36B N36B C36A 11(5)
W3 C36B N36B C36A -38(15)
C36B C36A N36B N36A 165(7)
W3 C36A N36B N36A 177(4)
N36A C36A N36B C36B -165(7)
W3 C36A N36B C36B 12(5)
C36A C36B C37A C37B 9E1(2)
N36B C36B C37A C37B -145(6)
N36A C36B C37A C37B -159(13)
W3 C36B C37A C37B 50(5)
N36B C36B C37A N37A -29(10)
W3 C36B C37A N37A 166(7)
N36B C36B C37A N37B -107(7)
N36A C36B C37A N37B -121(14)
W3 C36B C37A N37B 88(5)
N36B C36B C37A W3 164(7)
N36A C36B C37A W3 150(16)
C37B C37A N37A N37B 6(4)
C36B C37A N37A N37B -123(6)
W3 C37A N37A N37B 12(16)
C36B C37A N37A C37B -129(7)
N37B C37A N37A C37B -6(4)
W3 C37A N37A C37B 6(13)
N37A C37A C37B N37B -9(6)
C36B C37A C37B N37B 129(5)
W3 C37A C37B N37B 173(4)
C36B C37A C37B N37A 138(7)
N37B C37A C37B N37A 9(6)
W3 C37A C37B N37A -178(4)
N37A C37A C37B W3 178(4)
C36B C37A C37B W3 -44(4)
N37B C37A C37B W3 -173(4)
N37B N37A C37B C37A -171(6)
C37A N37A C37B N37B 171(6)
C37A N37A C37B W3 -2(5)
N37B N37A C37B W3 -173(4)
C37A C37B N37B N37A 7(5)
N37A C37B N37B C37A -7(5)
C37A N37A N37B C37B -7(4)
C37B N37A N37B C37A 7(4)
O4A C4A C4B O4B -85(12)
C4A O4A C4B O4B 128(12)
