#------------------------------------------------------------------------------
#$Date: 2019-11-23 06:31:11 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/74/4347469.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_4347469
loop_
_publ_author_name
'Kishore, Pilli V. V. N.'
'Liao, Jian-Hong'
'Hou, Hsing-Nan'
'Lin, Yan-Ru'
'Liu, C. W.'
_publ_section_title
;
 Ferrocene-Functionalized Cu(I)/Ag(I) Dithiocarbamate Clusters.
;
_journal_issue                   7
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3663
_journal_page_last               3673
_journal_paper_doi               10.1021/acs.inorgchem.6b00201
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C108 H231 Cu28 F6 N12 P S24'
_chemical_formula_weight         4391.56
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                106.1630(10)
_cell_angle_beta                 107.877(2)
_cell_angle_gamma                94.706(2)
_cell_formula_units_Z            1
_cell_length_a                   15.3196(11)
_cell_length_b                   15.5413(11)
_cell_length_c                   20.7294(15)
_cell_measurement_reflns_used    9832
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.41
_cell_measurement_theta_min      2.16
_cell_volume                     4435.1(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0183
_diffrn_reflns_av_unetI/netI     0.0231
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            39468
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.388
_exptl_absorpt_coefficient_mu    3.611
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5663
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_description       prism
_exptl_crystal_F_000             2228
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.110
_refine_diff_density_max         1.577
_refine_diff_density_min         -2.248
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     904
_refine_ls_number_reflns         15553
_refine_ls_number_restraints     221
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0411
_refine_ls_R_factor_gt           0.0349
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0489P)²+6.7637P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0938
_refine_ls_wR_factor_ref         0.0975
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13485
_reflns_number_total             15553
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic6b00201_si_002.cif
_cod_data_source_block           7
_cod_database_code               4347469
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.391
_shelx_estimated_absorpt_t_max   0.692
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -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_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
C1 C 0.1797(3) 0.8092(2) 0.23487(18) 0.0296(7) Uani 1 1 d . . . . .
C2 C 0.1429(3) 0.7443(3) 0.1050(2) 0.0524(11) Uani 1 1 d . U . . .
H2A H 0.0836 0.7157 0.0649 0.063 Uiso 1 1 calc R U . . .
H2B H 0.1760 0.6951 0.1158 0.063 Uiso 1 1 calc R U . . .
C3 C 0.2029(4) 0.8059(4) 0.0828(3) 0.0683(14) Uani 1 1 d . U . . .
H3A H 0.2653 0.8298 0.1202 0.082 Uiso 1 1 calc R U . A 1
H3B H 0.1729 0.8580 0.0750 0.082 Uiso 1 1 calc R U . A 1
C4 C 0.2115(14) 0.7419(13) 0.0083(10) 0.110(4) Uani 0.5 1 d D U P B 1
H4A H 0.1513 0.7008 -0.0223 0.132 Uiso 0.5 1 calc R U P B 1
H4B H 0.2288 0.7802 -0.0184 0.132 Uiso 0.5 1 calc R U P B 1
C5 C 0.2859(14) 0.6874(12) 0.0288(10) 0.138(4) Uani 0.5 1 d D U P B 1
H5A H 0.3286 0.7195 0.0777 0.207 Uiso 0.5 1 calc R U P B 1
H5B H 0.3209 0.6797 -0.0042 0.207 Uiso 0.5 1 calc R U P B 1
H5C H 0.2569 0.6275 0.0264 0.207 Uiso 0.5 1 calc R U P B 1
C4' C 0.2286(15) 0.7750(13) 0.0215(9) 0.110(4) Uani 0.5 1 d D U P B 2
H4C H 0.2937 0.7649 0.0375 0.132 Uiso 0.5 1 calc R U P B 2
H4D H 0.2282 0.8245 0.0001 0.132 Uiso 0.5 1 calc R U P B 2
C5' C 0.1693(14) 0.6887(11) -0.0370(9) 0.138(4) Uani 0.5 1 d D U P B 2
H5D H 0.1943 0.6746 -0.0762 0.207 Uiso 0.5 1 calc R U P B 2
H5E H 0.1706 0.6380 -0.0175 0.207 Uiso 0.5 1 calc R U P B 2
H5F H 0.1049 0.6979 -0.0550 0.207 Uiso 0.5 1 calc R U P B 2
C6 C 0.0408(3) 0.8394(3) 0.1522(2) 0.0477(10) Uani 1 1 d . U . . .
H6A H 0.0326 0.8536 0.1073 0.057 Uiso 1 1 calc R U . . .
H6B H 0.0516 0.8975 0.1910 0.057 Uiso 1 1 calc R U . . .
C7 C -0.0482(3) 0.7792(4) 0.1442(3) 0.0660(14) Uani 1 1 d . U . . .
H7A H -0.0514 0.7851 0.1922 0.079 Uiso 1 1 calc R U . . .
H7B H -0.0465 0.7147 0.1210 0.079 Uiso 1 1 calc R U . . .
C8 C -0.1351(5) 0.8054(5) 0.0996(5) 0.120(3) Uani 1 1 d D U . . .
H8A H -0.1341 0.7944 0.0505 0.144 Uiso 1 1 calc R U . . .
H8B H -0.1912 0.7657 0.0965 0.144 Uiso 1 1 calc R U . . .
C9 C -0.1418(6) 0.9002(6) 0.1291(6) 0.144(4) Uani 1 1 d D U . . .
H9A H -0.1450 0.9111 0.1772 0.215 Uiso 1 1 calc R U . . .
H9B H -0.1982 0.9134 0.0982 0.215 Uiso 1 1 calc R U . . .
H9C H -0.0869 0.9399 0.1319 0.215 Uiso 1 1 calc R U . . .
C10 C 0.4110(2) 0.5977(2) 0.41790(16) 0.0212(6) Uani 1 1 d . . . . .
C11 C 0.3808(2) 0.4584(2) 0.44800(18) 0.0247(7) Uani 1 1 d . U . . .
H9M H 0.4128 0.4976 0.4982 0.030 Uiso 1 1 calc R U . . .
H11B H 0.4089 0.4029 0.4407 0.030 Uiso 1 1 calc R U . . .
C12 C 0.2782(2) 0.4313(2) 0.4357(2) 0.0320(8) Uani 1 1 d . U . . .
H12A H 0.2475 0.3857 0.3876 0.038 Uiso 1 1 calc R U . . .
H12B H 0.2481 0.4854 0.4373 0.038 Uiso 1 1 calc R U . . .
C13 C 0.2653(3) 0.3914(3) 0.4919(2) 0.0423(9) Uani 1 1 d . U . . .
H13A H 0.2923 0.4387 0.5395 0.051 Uiso 1 1 calc R U . . .
H13B H 0.2999 0.3404 0.4927 0.051 Uiso 1 1 calc R U . . .
C14 C 0.1635(3) 0.3570(3) 0.4782(3) 0.0519(11) Uani 1 1 d . U . . .
H14A H 0.1280 0.4059 0.4737 0.078 Uiso 1 1 calc R U . . .
H14B H 0.1585 0.3376 0.5183 0.078 Uiso 1 1 calc R U . . .
H14C H 0.1384 0.3052 0.4339 0.078 Uiso 1 1 calc R U . . .
C15 C 0.3982(2) 0.4482(2) 0.33088(17) 0.0266(7) Uani 1 1 d . U . . .
H15A H 0.3722 0.4757 0.2930 0.032 Uiso 1 1 calc R U . . .
H15B H 0.3588 0.3879 0.3176 0.032 Uiso 1 1 calc R U . . .
C16 C 0.4974(3) 0.4361(2) 0.33591(19) 0.0314(8) Uani 1 1 d . U . . .
H16A H 0.5361 0.4967 0.3487 0.038 Uiso 1 1 calc R U . . .
H16B H 0.5235 0.4104 0.3749 0.038 Uiso 1 1 calc R U . . .
C17 C 0.5040(3) 0.3745(3) 0.2673(2) 0.0445(10) Uani 1 1 d . U . . .
H17A H 0.4800 0.4010 0.2285 0.053 Uiso 1 1 calc R U . . .
H17B H 0.4644 0.3143 0.2537 0.053 Uiso 1 1 calc R U . . .
C18 C 0.6040(4) 0.3622(4) 0.2753(3) 0.0754(17) Uani 1 1 d . U . . .
H18A H 0.6427 0.4213 0.2861 0.113 Uiso 1 1 calc R U . . .
H18B H 0.6052 0.3202 0.2306 0.113 Uiso 1 1 calc R U . . .
H18C H 0.6285 0.3372 0.3143 0.113 Uiso 1 1 calc R U . . .
C19 C 0.1775(2) 0.7928(2) 0.51403(18) 0.0263(7) Uani 1 1 d . . . . .
C20 C 0.0301(3) 0.6949(3) 0.4271(2) 0.0456(10) Uani 1 1 d . U . . .
H20A H 0.0003 0.7495 0.4320 0.055 Uiso 1 1 calc R U . . .
H20B H -0.0134 0.6445 0.4276 0.055 Uiso 1 1 calc R U . . .
C21 C 0.0467(4) 0.6690(3) 0.3562(2) 0.0581(12) Uani 1 1 d . U . . .
H21A H -0.0147 0.6469 0.3172 0.070 Uiso 1 1 calc R U . . .
H21B H 0.0762 0.7247 0.3512 0.070 Uiso 1 1 calc R U . . .
C22 C 0.1063(4) 0.5975(3) 0.3456(3) 0.0636(13) Uani 1 1 d . U . . .
H22A H 0.0783 0.5420 0.3519 0.076 Uiso 1 1 calc R U . . .
H22B H 0.1690 0.6203 0.3828 0.076 Uiso 1 1 calc R U . . .
C23 C 0.1165(6) 0.5727(4) 0.2725(3) 0.098(2) Uani 1 1 d . U . . .
H23A H 0.0551 0.5465 0.2354 0.148 Uiso 1 1 calc R U . . .
H23B H 0.1578 0.5279 0.2692 0.148 Uiso 1 1 calc R U . . .
H23C H 0.1432 0.6275 0.2655 0.148 Uiso 1 1 calc R U . . .
C24 C 0.1371(3) 0.6386(2) 0.5173(2) 0.0359(8) Uani 1 1 d . U . . .
H24A H 0.2044 0.6361 0.5289 0.043 Uiso 1 1 calc R U . . .
H24B H 0.1017 0.5805 0.4801 0.043 Uiso 1 1 calc R U . . .
C25 C 0.1119(3) 0.6476(3) 0.5837(2) 0.0478(10) Uani 1 1 d . U . . .
H25A H 0.0462 0.6559 0.5735 0.057 Uiso 1 1 calc R U . . .
H25B H 0.1517 0.7026 0.6226 0.057 Uiso 1 1 calc R U . . .
C26 C 0.1242(4) 0.5644(3) 0.6090(3) 0.0639(14) Uani 1 1 d . U . . .
H26A H 0.0771 0.5117 0.5731 0.077 Uiso 1 1 calc R U . . .
H26B H 0.1866 0.5501 0.6108 0.077 Uiso 1 1 calc R U . . .
C27 C 0.1155(6) 0.5751(4) 0.6801(4) 0.100(2) Uani 1 1 d . U . . .
H27A H 0.1658 0.6230 0.7169 0.151 Uiso 1 1 calc R U . . .
H27B H 0.1198 0.5175 0.6904 0.151 Uiso 1 1 calc R U . . .
H27C H 0.0551 0.5918 0.6797 0.151 Uiso 1 1 calc R U . . .
C28 C 0.2591(3) 1.1942(2) 0.62408(19) 0.0292(7) Uani 1 1 d . . . . .
C29 C 0.2472(4) 1.2445(3) 0.7437(2) 0.0514(11) Uani 1 1 d . U . . .
H29A H 0.3144 1.2420 0.7619 0.062 Uiso 1 1 calc R U . . .
H29B H 0.2154 1.2142 0.7687 0.062 Uiso 1 1 calc R U . . .
C30 C 0.2348(4) 1.3440(4) 0.7600(3) 0.0782(17) Uani 1 1 d . U . . .
H30A H 0.2710 1.3756 0.7384 0.094 Uiso 1 1 calc R U . . .
H30B H 0.1682 1.3466 0.7384 0.094 Uiso 1 1 calc R U . . .
C31 C 0.2676(7) 1.3924(5) 0.8403(4) 0.118(3) Uani 1 1 d . U . . .
H31A H 0.3357 1.3957 0.8612 0.142 Uiso 1 1 calc R U . C 1
H31B H 0.2363 1.3572 0.8627 0.142 Uiso 1 1 calc R U . C 1
C32 C 0.2452(12) 1.4899(10) 0.8565(11) 0.143(6) Uani 0.7 1 d . U P D 1
H32A H 0.2699 1.5210 0.9083 0.214 Uiso 0.5 1 calc R U P D 1
H32B H 0.1775 1.4865 0.8388 0.214 Uiso 0.5 1 calc R U P D 1
H32C H 0.2741 1.5240 0.8327 0.214 Uiso 0.5 1 calc R U P D 1
C32' C 0.296(3) 1.498(2) 0.859(3) 0.143(6) Uani 0.3 1 d . U P D 2
H32D H 0.3608 1.5128 0.8629 0.214 Uiso 0.5 1 calc R U P D 2
H32E H 0.2887 1.5286 0.9050 0.214 Uiso 0.5 1 calc R U P D 2
H32F H 0.2553 1.5179 0.8216 0.214 Uiso 0.5 1 calc R U P D 2
C33 C 0.1148(3) 1.1396(2) 0.6412(2) 0.0368(8) Uani 1 1 d . U . . .
H33A H 0.0833 1.1318 0.5900 0.044 Uiso 1 1 calc R U . . .
H33B H 0.0773 1.1713 0.6683 0.044 Uiso 1 1 calc R U . . .
C34 C 0.1205(3) 1.0465(2) 0.6511(2) 0.0351(8) Uani 1 1 d . U . . .
H34A H 0.1634 1.0177 0.6281 0.042 Uiso 1 1 calc R U . . .
H34B H 0.1467 1.0544 0.7028 0.042 Uiso 1 1 calc R U . . .
C35 C 0.0260(3) 0.9836(3) 0.6192(2) 0.0427(9) Uani 1 1 d . U . . .
H35A H -0.0170 1.0122 0.6421 0.051 Uiso 1 1 calc R U . . .
H35B H -0.0004 0.9756 0.5674 0.051 Uiso 1 1 calc R U . . .
C36 C 0.0322(3) 0.8913(3) 0.6291(3) 0.0491(10) Uani 1 1 d . U . . .
H36A H 0.0769 0.8640 0.6084 0.074 Uiso 1 1 calc R U . . .
H36B H -0.0293 0.8518 0.6051 0.074 Uiso 1 1 calc R U . . .
H36C H 0.0530 0.8984 0.6803 0.074 Uiso 1 1 calc R U . . .
C37 C 0.4683(2) 1.0331(2) 0.78146(17) 0.0261(7) Uani 1 1 d . . . . .
C38 C 0.3799(3) 0.9556(3) 0.8369(2) 0.0367(8) Uani 1 1 d . U . . .
H38A H 0.3798 0.9696 0.8864 0.044 Uiso 1 1 calc R U . . .
H38B H 0.4162 0.9064 0.8285 0.044 Uiso 1 1 calc R U . . .
C39 C 0.2804(3) 0.9228(3) 0.7850(2) 0.0412(9) Uani 1 1 d . U . . .
H39A H 0.2800 0.9131 0.7357 0.049 Uiso 1 1 calc R U . . .
H39B H 0.2430 0.9704 0.7957 0.049 Uiso 1 1 calc R U . . .
C40 C 0.2355(3) 0.8343(3) 0.7895(3) 0.0552(11) Uani 1 1 d . U . . .
H40A H 0.1732 0.8131 0.7517 0.066 Uiso 1 1 calc R U . . .
H40B H 0.2739 0.7875 0.7795 0.066 Uiso 1 1 calc R U . . .
C41 C 0.2247(5) 0.8418(5) 0.8597(3) 0.090(2) Uani 1 1 d . U . . .
H41A H 0.2862 0.8614 0.8975 0.135 Uiso 1 1 calc R U . . .
H41B H 0.1957 0.7824 0.8582 0.135 Uiso 1 1 calc R U . . .
H41C H 0.1851 0.8866 0.8695 0.135 Uiso 1 1 calc R U . . .
C42 C 0.4157(3) 1.1247(3) 0.8754(2) 0.0427(9) Uani 1 1 d . U . . .
H42A H 0.3536 1.1175 0.8806 0.051 Uiso 1 1 calc R U . . .
H42B H 0.4187 1.1720 0.8522 0.051 Uiso 1 1 calc R U . . .
C43 C 0.4897(3) 1.1561(3) 0.9484(2) 0.0516(11) Uani 1 1 d . U . . .
H43A H 0.5515 1.1693 0.9439 0.062 Uiso 1 1 calc R U . . .
H43B H 0.4906 1.1068 0.9702 0.062 Uiso 1 1 calc R U . . .
C44 C 0.4718(5) 1.2416(4) 0.9971(3) 0.0791(17) Uani 1 1 d . U . . .
H44A H 0.4760 1.2919 0.9769 0.095 Uiso 1 1 calc R U . . .
H44B H 0.4076 1.2297 0.9976 0.095 Uiso 1 1 calc R U . . .
C45 C 0.5388(5) 1.2710(5) 1.0721(3) 0.103(2) Uani 1 1 d . U . . .
H45A H 0.5353 1.2215 1.0924 0.154 Uiso 1 1 calc R U . . .
H45B H 0.5227 1.3248 1.1009 0.154 Uiso 1 1 calc R U . . .
H45C H 0.6023 1.2861 1.0724 0.154 Uiso 1 1 calc R U . . .
C46 C 0.7367(2) 0.8323(2) 0.68942(17) 0.0253(7) Uani 1 1 d . . . . .
C47 C 0.8935(3) 0.8583(4) 0.7796(2) 0.0551(12) Uani 1 1 d . U . . .
H47A H 0.9175 0.8772 0.8325 0.066 Uiso 1 1 calc R U . . .
H47B H 0.9110 0.9109 0.7651 0.066 Uiso 1 1 calc R U . . .
C48 C 0.9383(3) 0.7796(5) 0.7499(3) 0.0732(16) Uani 1 1 d . U . . .
H48A H 1.0065 0.8013 0.7671 0.088 Uiso 1 1 calc R U . . .
H48B H 0.9155 0.7632 0.6971 0.088 Uiso 1 1 calc R U . . .
C49 C 0.9205(4) 0.6935(5) 0.7693(4) 0.0870(19) Uani 1 1 d . U . . .
H49A H 0.8529 0.6787 0.7602 0.104 Uiso 1 1 calc R U . . .
H49B H 0.9360 0.6429 0.7359 0.104 Uiso 1 1 calc R U . . .
C50 C 0.9696(6) 0.6946(6) 0.8410(4) 0.118(3) Uani 1 1 d . U . . .
H50A H 1.0369 0.7042 0.8501 0.178 Uiso 1 1 calc R U . . .
H50B H 0.9499 0.6363 0.8465 0.178 Uiso 1 1 calc R U . . .
H50C H 0.9554 0.7441 0.8752 0.178 Uiso 1 1 calc R U . . .
C51 C 0.7496(3) 0.8123(3) 0.80520(19) 0.0363(8) Uani 1 1 d . U . . .
H51A H 0.7963 0.7911 0.8394 0.044 Uiso 1 1 calc R U . . .
H51B H 0.6944 0.7628 0.7795 0.044 Uiso 1 1 calc R U . . .
C52 C 0.7213(3) 0.8958(3) 0.8459(2) 0.0402(9) Uani 1 1 d . U . . .
H52A H 0.6757 0.9178 0.8115 0.048 Uiso 1 1 calc R U . . .
H52B H 0.7768 0.9449 0.8723 0.048 Uiso 1 1 calc R U . . .
C53 C 0.6782(4) 0.8761(4) 0.8984(3) 0.0575(12) Uani 1 1 d . U . . .
H53A H 0.6208 0.8294 0.8716 0.069 Uiso 1 1 calc R U . . .
H53B H 0.7224 0.8509 0.9310 0.069 Uiso 1 1 calc R U . . .
C54 C 0.6544(4) 0.9598(4) 0.9421(3) 0.0712(15) Uani 1 1 d . U . . .
H54A H 0.7118 1.0038 0.9726 0.107 Uiso 1 1 calc R U . . .
H54B H 0.6220 0.9427 0.9720 0.107 Uiso 1 1 calc R U . . .
H54C H 0.6138 0.9874 0.9100 0.107 Uiso 1 1 calc R U . . .
Cu1 Cu 0.43637(3) 1.06944(3) 0.34022(3) 0.03516(11) Uani 1 1 d . . . . .
Cu2 Cu 0.30983(4) 1.13746(3) 0.47352(2) 0.04205(13) Uani 1 1 d D . . . .
Cu3 Cu 0.28312(3) 0.99646(3) 0.35899(2) 0.03190(11) Uani 1 1 d . . . . .
Cu4 Cu 0.39155(3) 0.89460(3) 0.29932(2) 0.03096(11) Uani 1 1 d . . . . .
Cu5 Cu 0.56064(9) 0.88989(8) 0.34961(6) 0.0372(3) Uani 0.7 1 d . . P E 1
Cu5' Cu 0.5642(2) 0.85931(17) 0.32562(14) 0.0312(5) Uani 0.3 1 d . . P E 2
Cu6 Cu 0.26906(4) 1.00373(3) 0.52989(3) 0.04752(14) Uani 1 1 d . . . . .
Cu7 Cu 0.25094(3) 0.87354(3) 0.41467(2) 0.02892(10) Uani 1 1 d D . . . .
Cu8 Cu 0.35930(3) 0.77653(3) 0.36470(2) 0.03212(11) Uani 1 1 d . . . . .
Cu9 Cu 0.54191(4) 0.77250(3) 0.41434(2) 0.04338(13) Uani 1 1 d . . . . .
Cu10 Cu 0.38441(3) 0.93398(3) 0.61420(2) 0.03405(11) Uani 1 1 d . . . . .
Cu11 Cu 0.36738(3) 0.79858(3) 0.49886(2) 0.03236(11) Uani 1 1 d . . . . .
Cu12 Cu 0.54006(3) 0.78438(3) 0.54653(2) 0.03113(10) Uani 1 1 d . . . . .
Cu13 Cu 0.41259(6) 0.94098(6) 0.42986(5) 0.03088(19) Uani 0.5 1 d . . P E .
Cu14 Cu 0.57482(13) 0.94151(9) 0.45534(11) 0.0925(6) Uani 0.5 1 d . . P E .
Cu15 Cu 0.54211(10) 0.93489(10) 0.54099(8) 0.0288(3) Uani 0.3 1 d . . P E .
Cu16 Cu 0.41969(10) 0.95246(10) 0.51341(8) 0.0332(3) Uani 0.3 1 d . . P E .
Cu17 Cu 0.4823(2) 0.89932(16) 0.49039(15) 0.0445(6) Uani 0.2 1 d . . P E .
Cu18 Cu 0.4984(2) 0.99323(18) 0.57343(13) 0.0475(6) Uani 0.2 1 d . . P E .
F1 F 1.0552(3) -0.0235(3) 0.0678(2) 0.1160(16) Uani 1 1 d . U . . .
F2 F 1.0643(2) 0.09797(19) 0.03113(15) 0.0740(9) Uani 1 1 d . U . . .
F3 F 0.9334(3) 0.0385(3) 0.0395(3) 0.1298(17) Uani 1 1 d . U . . .
N1 N 0.1227(2) 0.7961(2) 0.16849(17) 0.0383(7) Uani 1 1 d . . . . .
N2 N 0.39659(19) 0.50740(17) 0.39996(14) 0.0230(6) Uani 1 1 d . . . . .
N3 N 0.1174(2) 0.71424(18) 0.48814(16) 0.0302(6) Uani 1 1 d . . . . .
N4 N 0.2088(2) 1.1954(2) 0.66645(17) 0.0358(7) Uani 1 1 d . . . . .
N5 N 0.4256(2) 1.0377(2) 0.82894(15) 0.0313(6) Uani 1 1 d . . . . .
N6 N 0.7896(2) 0.8324(2) 0.75324(15) 0.0322(7) Uani 1 1 d . . . . .
P1 P 1.0000 0.0000 0.0000 0.0446(4) Uani 1 2 d S U P . .
S1 S 0.27838(6) 0.75992(6) 0.24591(4) 0.02898(18) Uani 1 1 d . . . . .
S2 S 0.15070(6) 0.87414(6) 0.30540(5) 0.03145(19) Uani 1 1 d . . . . .
S3 S 0.41440(6) 0.66061(5) 0.50229(4) 0.02614(18) Uani 1 1 d . . . . .
S4 S 0.42497(6) 0.64560(5) 0.35431(4) 0.02504(17) Uani 1 1 d . . . . .
S5 S 0.28004(6) 0.80336(6) 0.58233(5) 0.03011(19) Uani 1 1 d . . . . .
S6 S 0.14684(6) 0.88105(5) 0.48026(5) 0.02833(18) Uani 1 1 d . . . . .
S7 S 0.20582(7) 1.13659(6) 0.53318(5) 0.0341(2) Uani 1 1 d . . . . .
S8 S 0.62713(7) 0.74666(6) 0.33807(5) 0.0388(2) Uani 1 1 d . . . . .
S9 S 0.47072(6) 0.92626(6) 0.72859(5) 0.03059(19) Uani 1 1 d . . . . .
S10 S 0.47888(6) 0.86660(6) 0.22278(5) 0.02915(18) Uani 1 1 d . . . . .
S11 S 0.61756(6) 0.79073(5) 0.66119(4) 0.02574(17) Uani 1 1 d . . . . .
S12 S 0.21097(6) 1.12684(5) 0.36222(4) 0.02635(18) Uani 1 1 d . . . . .
H1M H 0.340(3) 0.989(3) 0.302(2) 0.035(10) Uiso 1 1 d . . . . .
H2M H 0.293(3) 0.779(3) 0.414(2) 0.043(11) Uiso 1 1 d . . . . .
H3M H 0.410(2) 1.216(3) 0.514(3) 0.11(2) Uiso 1 1 d D . . . .
H4M H 0.344(3) 1.029(3) 0.609(2) 0.052(12) Uiso 1 1 d . . . . .
H5M H 0.459(3) 0.850(3) 0.369(2) 0.048(12) Uiso 1 1 d . . . . .
H6M H 0.315(3) 0.9963(13) 0.450(3) 0.081(17) Uiso 1 1 d D . . . .
H7M H 0.469(3) 0.883(3) 0.570(3) 0.062(14) Uiso 1 1 d . . . . .
H8M H 0.5000 1.0000 0.5000 0.058(19) Uiso 1 2 d S . 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 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N1 C1 S1 118.2(3) . .
N1 C1 S2 118.1(3) . .
S1 C1 S2 123.6(2) . .
N1 C2 C3 111.3(4) . .
N1 C2 H2A 109.4 . .
C3 C2 H2A 109.4 . .
N1 C2 H2B 109.4 . .
C3 C2 H2B 109.4 . .
H2A C2 H2B 108.0 . .
C4' C3 C2 123.2(9) . .
C2 C3 C4 105.8(8) . .
C2 C3 H3A 110.6 . .
C4 C3 H3A 110.6 . .
C2 C3 H3B 110.6 . .
C4 C3 H3B 110.6 . .
H3A C3 H3B 108.7 . .
C5 C4 C3 106.9(13) . .
C5 C4 H4A 110.3 . .
C3 C4 H4A 110.3 . .
C5 C4 H4B 110.3 . .
C3 C4 H4B 110.3 . .
H4A C4 H4B 108.6 . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C3 C4' C5' 117.5(15) . .
C3 C4' H4C 107.9 . .
C5' C4' H4C 107.9 . .
C3 C4' H4D 107.9 . .
C5' C4' H4D 107.9 . .
H4C C4' H4D 107.2 . .
C4' C5' H5D 109.5 . .
C4' C5' H5E 109.5 . .
H5D C5' H5E 109.5 . .
C4' C5' H5F 109.5 . .
H5D C5' H5F 109.5 . .
H5E C5' H5F 109.5 . .
N1 C6 C7 112.5(4) . .
N1 C6 H6A 109.1 . .
C7 C6 H6A 109.1 . .
N1 C6 H6B 109.1 . .
C7 C6 H6B 109.1 . .
H6A C6 H6B 107.8 . .
C6 C7 C8 111.5(5) . .
C6 C7 H7A 109.3 . .
C8 C7 H7A 109.3 . .
C6 C7 H7B 109.3 . .
C8 C7 H7B 109.3 . .
H7A C7 H7B 108.0 . .
C9 C8 C7 113.0(7) . .
C9 C8 H8A 109.0 . .
C7 C8 H8A 109.0 . .
C9 C8 H8B 109.0 . .
C7 C8 H8B 109.0 . .
H8A C8 H8B 107.8 . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N2 C10 S3 118.6(2) . .
N2 C10 S4 117.5(2) . .
S3 C10 S4 123.95(18) . .
N2 C11 C12 112.7(3) . .
N2 C11 H9M 109.0 . .
C12 C11 H9M 109.0 . .
N2 C11 H11B 109.0 . .
C12 C11 H11B 109.0 . .
H9M C11 H11B 107.8 . .
C11 C12 C13 111.0(3) . .
C11 C12 H12A 109.4 . .
C13 C12 H12A 109.4 . .
C11 C12 H12B 109.4 . .
C13 C12 H12B 109.4 . .
H12A C12 H12B 108.0 . .
C12 C13 C14 112.7(4) . .
C12 C13 H13A 109.1 . .
C14 C13 H13A 109.1 . .
C12 C13 H13B 109.1 . .
C14 C13 H13B 109.1 . .
H13A C13 H13B 107.8 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
N2 C15 C16 110.7(3) . .
N2 C15 H15A 109.5 . .
C16 C15 H15A 109.5 . .
N2 C15 H15B 109.5 . .
C16 C15 H15B 109.5 . .
H15A C15 H15B 108.1 . .
C17 C16 C15 113.5(3) . .
C17 C16 H16A 108.9 . .
C15 C16 H16A 108.9 . .
C17 C16 H16B 108.9 . .
C15 C16 H16B 108.9 . .
H16A C16 H16B 107.7 . .
C16 C17 C18 111.8(4) . .
C16 C17 H17A 109.3 . .
C18 C17 H17A 109.3 . .
C16 C17 H17B 109.3 . .
C18 C17 H17B 109.3 . .
H17A C17 H17B 107.9 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N3 C19 S5 117.9(2) . .
N3 C19 S6 118.8(3) . .
S5 C19 S6 123.2(2) . .
N3 C20 C21 111.9(4) . .
N3 C20 H20A 109.2 . .
C21 C20 H20A 109.2 . .
N3 C20 H20B 109.2 . .
C21 C20 H20B 109.2 . .
H20A C20 H20B 107.9 . .
C22 C21 C20 116.1(4) . .
C22 C21 H21A 108.3 . .
C20 C21 H21A 108.3 . .
C22 C21 H21B 108.3 . .
C20 C21 H21B 108.3 . .
H21A C21 H21B 107.4 . .
C21 C22 C23 113.0(5) . .
C21 C22 H22A 109.0 . .
C23 C22 H22A 109.0 . .
C21 C22 H22B 109.0 . .
C23 C22 H22B 109.0 . .
H22A C22 H22B 107.8 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
N3 C24 C25 113.2(3) . .
N3 C24 H24A 108.9 . .
C25 C24 H24A 108.9 . .
N3 C24 H24B 108.9 . .
C25 C24 H24B 108.9 . .
H24A C24 H24B 107.7 . .
C24 C25 C26 112.4(4) . .
C24 C25 H25A 109.1 . .
C26 C25 H25A 109.1 . .
C24 C25 H25B 109.1 . .
C26 C25 H25B 109.1 . .
H25A C25 H25B 107.9 . .
C27 C26 C25 114.9(5) . .
C27 C26 H26A 108.5 . .
C25 C26 H26A 108.5 . .
C27 C26 H26B 108.5 . .
C25 C26 H26B 108.5 . .
H26A C26 H26B 107.5 . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
N4 C28 S8 118.4(3) . 2_676
N4 C28 S7 118.3(3) . .
S8 C28 S7 123.3(2) 2_676 .
N4 C29 C30 111.3(4) . .
N4 C29 H29A 109.4 . .
C30 C29 H29A 109.4 . .
N4 C29 H29B 109.4 . .
C30 C29 H29B 109.4 . .
H29A C29 H29B 108.0 . .
C31 C30 C29 111.1(6) . .
C31 C30 H30A 109.4 . .
C29 C30 H30A 109.4 . .
C31 C30 H30B 109.4 . .
C29 C30 H30B 109.4 . .
H30A C30 H30B 108.0 . .
C30 C31 C32 110.8(10) . .
C30 C31 C32' 112(2) . .
C30 C31 H31A 109.5 . .
C32 C31 H31A 109.5 . .
C30 C31 H31B 109.5 . .
C32 C31 H31B 109.5 . .
H31A C31 H31B 108.1 . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C31 C32' H32D 109.5 . .
C31 C32' H32E 109.5 . .
H32D C32' H32E 109.5 . .
C31 C32' H32F 109.5 . .
H32D C32' H32F 109.5 . .
H32E C32' H32F 109.5 . .
N4 C33 C34 110.9(3) . .
N4 C33 H33A 109.5 . .
C34 C33 H33A 109.5 . .
N4 C33 H33B 109.5 . .
C34 C33 H33B 109.5 . .
H33A C33 H33B 108.0 . .
C35 C34 C33 112.5(3) . .
C35 C34 H34A 109.1 . .
C33 C34 H34A 109.1 . .
C35 C34 H34B 109.1 . .
C33 C34 H34B 109.1 . .
H34A C34 H34B 107.8 . .
C36 C35 C34 112.2(3) . .
C36 C35 H35A 109.2 . .
C34 C35 H35A 109.2 . .
C36 C35 H35B 109.2 . .
C34 C35 H35B 109.2 . .
H35A C35 H35B 107.9 . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
N5 C37 S9 117.7(3) . .
N5 C37 S10 118.9(3) . 2_676
S9 C37 S10 123.4(2) . 2_676
N5 C38 C39 112.0(3) . .
N5 C38 H38A 109.2 . .
C39 C38 H38A 109.2 . .
N5 C38 H38B 109.2 . .
C39 C38 H38B 109.2 . .
H38A C38 H38B 107.9 . .
C38 C39 C40 112.0(3) . .
C38 C39 H39A 109.2 . .
C40 C39 H39A 109.2 . .
C38 C39 H39B 109.2 . .
C40 C39 H39B 109.2 . .
H39A C39 H39B 107.9 . .
C41 C40 C39 114.5(4) . .
C41 C40 H40A 108.6 . .
C39 C40 H40A 108.6 . .
C41 C40 H40B 108.6 . .
C39 C40 H40B 108.6 . .
H40A C40 H40B 107.6 . .
C40 C41 H41A 109.5 . .
C40 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C40 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
N5 C42 C43 112.8(4) . .
N5 C42 H42A 109.0 . .
C43 C42 H42A 109.0 . .
N5 C42 H42B 109.0 . .
C43 C42 H42B 109.0 . .
H42A C42 H42B 107.8 . .
C42 C43 C44 111.2(4) . .
C42 C43 H43A 109.4 . .
C44 C43 H43A 109.4 . .
C42 C43 H43B 109.4 . .
C44 C43 H43B 109.4 . .
H43A C43 H43B 108.0 . .
C45 C44 C43 113.3(6) . .
C45 C44 H44A 108.9 . .
C43 C44 H44A 108.9 . .
C45 C44 H44B 108.9 . .
C43 C44 H44B 108.9 . .
H44A C44 H44B 107.7 . .
C44 C45 H45A 109.5 . .
C44 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
C44 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
N6 C46 S12 118.7(3) . 2_676
N6 C46 S11 118.1(2) . .
S12 C46 S11 123.20(19) 2_676 .
N6 C47 C48 111.7(4) . .
N6 C47 H47A 109.3 . .
C48 C47 H47A 109.3 . .
N6 C47 H47B 109.3 . .
C48 C47 H47B 109.3 . .
H47A C47 H47B 107.9 . .
C47 C48 C49 116.1(4) . .
C47 C48 H48A 108.3 . .
C49 C48 H48A 108.3 . .
C47 C48 H48B 108.3 . .
C49 C48 H48B 108.3 . .
H48A C48 H48B 107.4 . .
C50 C49 C48 118.1(7) . .
C50 C49 H49A 107.8 . .
C48 C49 H49A 107.8 . .
C50 C49 H49B 107.8 . .
C48 C49 H49B 107.8 . .
H49A C49 H49B 107.1 . .
C49 C50 H50A 109.5 . .
C49 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C49 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
N6 C51 C52 111.2(3) . .
N6 C51 H51A 109.4 . .
C52 C51 H51A 109.4 . .
N6 C51 H51B 109.4 . .
C52 C51 H51B 109.4 . .
H51A C51 H51B 108.0 . .
C51 C52 C53 112.0(4) . .
C51 C52 H52A 109.2 . .
C53 C52 H52A 109.2 . .
C51 C52 H52B 109.2 . .
C53 C52 H52B 109.2 . .
H52A C52 H52B 107.9 . .
C54 C53 C52 112.6(4) . .
C54 C53 H53A 109.1 . .
C52 C53 H53A 109.1 . .
C54 C53 H53B 109.1 . .
C52 C53 H53B 109.1 . .
H53A C53 H53B 107.8 . .
C53 C54 H54A 109.5 . .
C53 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C53 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
Cu18 Cu1 S9 110.58(8) 2_676 2_676
Cu18 Cu1 S11 135.24(7) 2_676 2_676
S9 Cu1 S11 97.51(3) 2_676 2_676
Cu18 Cu1 Cu15 32.80(8) 2_676 2_676
S9 Cu1 Cu15 136.72(5) 2_676 2_676
S11 Cu1 Cu15 104.27(4) 2_676 2_676
Cu18 Cu1 Cu4 66.13(7) 2_676 .
S9 Cu1 Cu4 96.00(3) 2_676 .
S11 Cu1 Cu4 146.00(3) 2_676 .
Cu15 Cu1 Cu4 86.39(4) 2_676 .
Cu18 Cu1 Cu10 57.68(8) 2_676 2_676
S9 Cu1 Cu10 57.10(3) 2_676 2_676
S11 Cu1 Cu10 120.77(3) 2_676 2_676
Cu15 Cu1 Cu10 79.64(4) 2_676 2_676
Cu4 Cu1 Cu10 92.69(2) . 2_676
Cu18 Cu1 Cu12 82.67(7) 2_676 2_676
S9 Cu1 Cu12 118.52(3) 2_676 2_676
S11 Cu1 Cu12 53.00(2) 2_676 2_676
Cu15 Cu1 Cu12 55.31(4) 2_676 2_676
Cu4 Cu1 Cu12 140.24(2) . 2_676
Cu10 Cu1 Cu12 90.549(19) 2_676 2_676
Cu18 Cu1 Cu3 78.76(8) 2_676 .
S9 Cu1 Cu3 151.20(3) 2_676 .
S11 Cu1 Cu3 93.21(3) 2_676 .
Cu15 Cu1 Cu3 64.50(4) 2_676 .
Cu4 Cu1 Cu3 61.958(16) . .
Cu10 Cu1 Cu3 136.07(2) 2_676 .
Cu12 Cu1 Cu3 89.177(19) 2_676 .
Cu18 Cu1 H1M 93.7(13) 2_676 .
S9 Cu1 H1M 115.7(13) 2_676 .
S11 Cu1 H1M 104.9(13) 2_676 .
Cu15 Cu1 H1M 94.3(13) 2_676 .
Cu4 Cu1 H1M 41.4(13) . .
Cu10 Cu1 H1M 134.1(13) 2_676 .
Cu12 Cu1 H1M 123.2(13) 2_676 .
Cu3 Cu1 H1M 35.5(13) . .
S12 Cu2 S7 100.58(4) . .
S12 Cu2 Cu14 144.66(5) . 2_676
S7 Cu2 Cu14 96.38(4) . 2_676
S12 Cu2 Cu9 148.28(3) . 2_676
S7 Cu2 Cu9 97.36(3) . 2_676
Cu14 Cu2 Cu9 56.98(4) 2_676 2_676
S12 Cu2 Cu3 57.24(2) . .
S7 Cu2 Cu3 117.51(3) . .
Cu14 Cu2 Cu3 87.43(4) 2_676 .
Cu9 Cu2 Cu3 133.28(3) 2_676 .
S12 Cu2 Cu15 108.41(4) . 2_676
S7 Cu2 Cu15 140.43(4) . 2_676
Cu14 Cu2 Cu15 45.16(4) 2_676 2_676
Cu9 Cu2 Cu15 71.26(4) 2_676 2_676
Cu3 Cu2 Cu15 62.04(4) . 2_676
S12 Cu2 Cu12 93.20(3) . 2_676
S7 Cu2 Cu12 152.56(3) . 2_676
Cu14 Cu2 Cu12 85.38(4) 2_676 2_676
Cu9 Cu2 Cu12 60.742(18) 2_676 2_676
Cu3 Cu2 Cu12 89.91(2) . 2_676
Cu15 Cu2 Cu12 52.27(3) 2_676 2_676
S12 Cu2 Cu6 116.76(3) . .
S7 Cu2 Cu6 54.17(3) . .
Cu14 Cu2 Cu6 52.58(3) 2_676 .
Cu9 Cu2 Cu6 94.96(2) 2_676 .
Cu3 Cu2 Cu6 83.044(19) . .
Cu15 Cu2 Cu6 88.30(3) 2_676 .
Cu12 Cu2 Cu6 137.51(3) 2_676 .
S12 Cu2 H3M 121(2) . .
S7 Cu2 H3M 118(2) . .
Cu14 Cu2 H3M 76(2) 2_676 .
Cu9 Cu2 H3M 28(2) 2_676 .
Cu3 Cu2 H3M 123(2) . .
Cu15 Cu2 H3M 68(2) 2_676 .
Cu12 Cu2 H3M 36(2) 2_676 .
Cu6 Cu2 H3M 122(2) . .
S12 Cu3 S2 102.03(3) . .
S12 Cu3 Cu13 141.93(3) . .
S2 Cu3 Cu13 107.24(3) . .
S12 Cu3 Cu7 125.38(3) . .
S2 Cu3 Cu7 55.31(2) . .
Cu13 Cu3 Cu7 59.45(2) . .
S12 Cu3 Cu2 53.99(2) . .
S2 Cu3 Cu2 125.18(3) . .
Cu13 Cu3 Cu2 88.89(3) . .
Cu7 Cu3 Cu2 96.10(2) . .
S12 Cu3 Cu1 95.27(3) . .
S2 Cu3 Cu1 143.55(3) . .
Cu13 Cu3 Cu1 75.09(3) . .
Cu7 Cu3 Cu1 133.73(2) . .
Cu2 Cu3 Cu1 90.901(19) . .
S12 Cu3 Cu4 144.50(3) . .
S2 Cu3 Cu4 92.97(3) . .
Cu13 Cu3 Cu4 57.67(2) . .
Cu7 Cu3 Cu4 89.599(18) . .
Cu2 Cu3 Cu4 136.72(2) . .
Cu1 Cu3 Cu4 56.652(16) . .
S12 Cu3 Cu15 103.73(4) . 2_676
S2 Cu3 Cu15 147.32(4) . 2_676
Cu13 Cu3 Cu15 41.41(4) . 2_676
Cu7 Cu3 Cu15 93.06(3) . 2_676
Cu2 Cu3 Cu15 59.60(4) . 2_676
Cu1 Cu3 Cu15 52.39(3) . 2_676
Cu4 Cu3 Cu15 77.30(4) . 2_676
S12 Cu3 H1M 107.2(13) . .
S2 Cu3 H1M 107.8(13) . .
Cu13 Cu3 H1M 86.5(13) . .
Cu7 Cu3 H1M 126.4(13) . .
Cu2 Cu3 H1M 125.5(13) . .
Cu1 Cu3 H1M 35.8(13) . .
Cu4 Cu3 H1M 37.3(13) . .
Cu15 Cu3 H1M 83.2(13) 2_676 .
S12 Cu3 H6M 102.5(14) . .
S2 Cu3 H6M 98.8(7) . .
Cu13 Cu3 H6M 49.7(17) . .
Cu7 Cu3 H6M 47.4(3) . .
Cu2 Cu3 H6M 53.2(9) . .
Cu1 Cu3 H6M 108.5(13) . .
Cu4 Cu3 H6M 106.7(17) . .
Cu15 Cu3 H6M 56.1(12) 2_676 .
H1M Cu3 H6M 134(2) . .
S10 Cu4 S1 99.71(3) . .
S10 Cu4 Cu5 60.62(4) . .
S1 Cu4 Cu5 121.14(4) . .
S10 Cu4 Cu13 140.66(4) . .
S1 Cu4 Cu13 105.29(3) . .
Cu5 Cu4 Cu13 80.40(4) . .
S10 Cu4 Cu1 95.64(3) . .
S1 Cu4 Cu1 150.85(3) . .
Cu5 Cu4 Cu1 87.99(3) . .
Cu13 Cu4 Cu1 76.65(2) . .
S10 Cu4 Cu18 108.61(7) . 2_676
S1 Cu4 Cu18 141.55(6) . 2_676
Cu5 Cu4 Cu18 57.71(7) . 2_676
Cu13 Cu4 Cu18 37.50(6) . 2_676
Cu1 Cu4 Cu18 51.56(6) . 2_676
S10 Cu4 Cu8 121.56(3) . .
S1 Cu4 Cu8 54.67(2) . .
Cu5 Cu4 Cu8 87.46(3) . .
Cu13 Cu4 Cu8 56.88(2) . .
Cu1 Cu4 Cu8 133.41(2) . .
Cu18 Cu4 Cu8 87.93(5) 2_676 .
S10 Cu4 Cu5' 50.83(6) . .
S1 Cu4 Cu5' 111.74(6) . .
Cu13 Cu4 Cu5' 91.34(6) . .
Cu1 Cu4 Cu5' 97.18(6) . .
Cu18 Cu4 Cu5' 70.61(8) 2_676 .
Cu8 Cu4 Cu5' 87.72(6) . .
S10 Cu4 Cu3 150.82(3) . .
S1 Cu4 Cu3 95.02(3) . .
Cu5 Cu4 Cu3 130.03(3) . .
Cu13 Cu4 Cu3 55.87(2) . .
Cu1 Cu4 Cu3 61.390(16) . .
Cu18 Cu4 Cu3 72.44(7) 2_676 .
Cu8 Cu4 Cu3 87.472(18) . .
Cu5' Cu4 Cu3 142.87(5) . .
S10 Cu4 H1M 115.2(12) . .
S1 Cu4 H1M 110.9(13) . .
Cu5 Cu4 H1M 127.9(13) . .
Cu13 Cu4 H1M 83.6(12) . .
Cu1 Cu4 H1M 39.9(13) . .
Cu18 Cu4 H1M 80.2(13) 2_676 .
Cu8 Cu4 H1M 122.9(12) . .
Cu5' Cu4 H1M 136.9(13) . .
Cu3 Cu4 H1M 35.6(12) . .
S10 Cu4 H5M 99.7(13) . .
S1 Cu4 H5M 91.5(13) . .
Cu5 Cu4 H5M 47.0(13) . .
Cu13 Cu4 H5M 50.4(13) . .
Cu1 Cu4 H5M 110.2(13) . .
Cu18 Cu4 H5M 58.9(13) 2_676 .
Cu8 Cu4 H5M 42.1(13) . .
Cu5' Cu4 H5M 51.4(13) . .
Cu3 Cu4 H5M 104.9(13) . .
H1M Cu4 H5M 133.2(18) . .
Cu14 Cu5 S10 151.65(8) . .
Cu14 Cu5 Cu18 41.47(8) . 2_676
S10 Cu5 Cu18 111.02(8) . 2_676
Cu14 Cu5 Cu4 96.96(7) . .
S10 Cu5 Cu4 56.74(4) . .
Cu18 Cu5 Cu4 64.47(7) 2_676 .
Cu14 Cu5 S8 105.54(6) . .
S10 Cu5 S8 99.04(5) . .
Cu18 Cu5 S8 145.12(8) 2_676 .
Cu4 Cu5 S8 124.49(5) . .
Cu14 Cu5 Cu9 63.34(5) . .
S10 Cu5 Cu9 124.79(5) . .
Cu18 Cu5 Cu9 93.21(7) 2_676 .
Cu4 Cu5 Cu9 96.72(4) . .
S8 Cu5 Cu9 54.01(4) . .
Cu14 Cu5 Cu10 74.15(5) . 2_676
S10 Cu5 Cu10 95.95(5) . 2_676
Cu18 Cu5 Cu10 55.57(6) 2_676 2_676
Cu4 Cu5 Cu10 94.75(4) . 2_676
S8 Cu5 Cu10 139.89(6) . 2_676
Cu9 Cu5 Cu10 136.94(5) . 2_676
Cu14 Cu5 Cu6 52.67(6) . 2_676
S10 Cu5 Cu6 141.34(5) . 2_676
Cu18 Cu5 Cu6 76.02(7) 2_676 2_676
Cu4 Cu5 Cu6 139.97(5) . 2_676
S8 Cu5 Cu6 91.65(4) . 2_676
Cu9 Cu5 Cu6 91.40(4) . 2_676
Cu10 Cu5 Cu6 55.42(3) 2_676 2_676
Cu14 Cu5 H5M 66.9(13) . .
S10 Cu5 H5M 96.4(13) . .
Cu18 Cu5 H5M 62.9(13) 2_676 .
Cu4 Cu5 H5M 47.2(13) . .
S8 Cu5 H5M 97.4(13) . .
Cu9 Cu5 H5M 51.3(13) . .
Cu10 Cu5 H5M 117.6(13) 2_676 .
Cu6 Cu5 H5M 119.0(13) 2_676 .
S8 Cu5' S10 123.40(11) . .
S8 Cu5' Cu14 101.16(12) . .
S10 Cu5' Cu14 132.76(12) . .
S8 Cu5' Cu9 56.96(7) . .
S10 Cu5' Cu9 135.71(13) . .
Cu14 Cu5' Cu9 56.60(6) . .
S8 Cu5' Cu4 135.55(13) . .
S10 Cu5' Cu4 56.97(7) . .
Cu14 Cu5' Cu4 81.10(8) . .
Cu9 Cu5' Cu4 91.37(9) . .
S8 Cu5' Cu10 137.69(13) . 2_676
S10 Cu5' Cu10 90.91(9) . 2_676
Cu14 Cu5' Cu10 60.23(6) . 2_676
Cu9 Cu5' Cu10 116.74(8) . 2_676
Cu4 Cu5' Cu10 82.19(7) . 2_676
S8 Cu5' H5M 103.1(12) . .
S10 Cu5' H5M 97.9(12) . .
Cu14 Cu5' H5M 53.4(12) . .
Cu9 Cu5' H5M 49.1(11) . .
Cu4 Cu5' H5M 43.3(11) . .
Cu10 Cu5' H5M 94.6(12) 2_676 .
S6 Cu6 S7 107.92(4) . .
S6 Cu6 Cu14 146.69(5) . 2_676
S7 Cu6 Cu14 100.66(4) . 2_676
S6 Cu6 Cu7 57.92(2) . .
S7 Cu6 Cu7 125.02(3) . .
Cu14 Cu6 Cu7 91.71(5) 2_676 .
S6 Cu6 Cu16 110.42(4) . .
S7 Cu6 Cu16 135.02(4) . .
Cu14 Cu6 Cu16 36.78(4) 2_676 .
Cu7 Cu6 Cu16 62.50(4) . .
S6 Cu6 Cu10 97.14(3) . .
S7 Cu6 Cu10 140.37(3) . .
Cu14 Cu6 Cu10 69.59(4) 2_676 .
Cu7 Cu6 Cu10 94.20(2) . .
Cu16 Cu6 Cu10 54.84(3) . .
S6 Cu6 Cu2 128.85(3) . .
S7 Cu6 Cu2 52.64(3) . .
Cu14 Cu6 Cu2 59.25(4) 2_676 .
Cu7 Cu6 Cu2 92.84(2) . .
Cu16 Cu6 Cu2 84.69(4) . .
Cu10 Cu6 Cu2 128.50(3) . .
S6 Cu6 Cu5 149.33(4) . 2_676
S7 Cu6 Cu5 90.27(4) . 2_676
Cu14 Cu6 Cu5 43.44(5) 2_676 2_676
Cu7 Cu6 Cu5 130.10(4) . 2_676
Cu16 Cu6 Cu5 67.61(5) . 2_676
Cu10 Cu6 Cu5 55.60(3) . 2_676
Cu2 Cu6 Cu5 81.82(3) . 2_676
S6 Cu6 H4M 123.9(16) . .
S7 Cu6 H4M 102.8(15) . .
Cu14 Cu6 H4M 63.4(16) 2_676 .
Cu7 Cu6 H4M 130.1(15) . .
Cu16 Cu6 H4M 74.1(16) . .
Cu10 Cu6 H4M 37.9(15) . .
Cu2 Cu6 H4M 107.1(16) . .
Cu5 Cu6 H4M 25.6(16) 2_676 .
S6 Cu6 H6M 102.0(6) . .
S7 Cu6 H6M 98.9(12) . .
Cu14 Cu6 H6M 56.0(12) 2_676 .
Cu7 Cu6 H6M 47.0(3) . .
Cu16 Cu6 H6M 50.8(16) . .
Cu10 Cu6 H6M 105.4(16) . .
Cu2 Cu6 H6M 49.9(8) . .
Cu5 Cu6 H6M 99.2(11) 2_676 .
H4M Cu6 H6M 118(2) . .
S2 Cu7 S6 100.56(4) . .
S2 Cu7 Cu13 108.60(3) . .
S6 Cu7 Cu13 140.17(3) . .
S2 Cu7 Cu3 58.49(3) . .
S6 Cu7 Cu3 122.97(3) . .
Cu13 Cu7 Cu3 57.84(2) . .
S2 Cu7 Cu6 119.77(3) . .
S6 Cu7 Cu6 55.24(3) . .
Cu13 Cu7 Cu6 86.38(3) . .
Cu3 Cu7 Cu6 87.966(19) . .
S2 Cu7 Cu8 96.61(3) . .
S6 Cu7 Cu8 144.81(3) . .
Cu13 Cu7 Cu8 57.97(2) . .
Cu3 Cu7 Cu8 92.184(19) . .
Cu6 Cu7 Cu8 136.42(3) . .
S2 Cu7 Cu11 153.18(3) . .
S6 Cu7 Cu11 92.55(3) . .
Cu13 Cu7 Cu11 73.27(3) . .
Cu3 Cu7 Cu11 131.07(2) . .
Cu6 Cu7 Cu11 86.91(2) . .
Cu8 Cu7 Cu11 60.915(16) . .
S2 Cu7 Cu16 142.14(4) . .
S6 Cu7 Cu16 105.12(4) . .
Cu13 Cu7 Cu16 37.11(4) . .
Cu3 Cu7 Cu16 84.10(3) . .
Cu6 Cu7 Cu16 58.84(4) . .
Cu8 Cu7 Cu16 77.82(4) . .
Cu11 Cu7 Cu16 52.35(3) . .
S2 Cu7 H2M 115.6(14) . .
S6 Cu7 H2M 106.5(14) . .
Cu13 Cu7 H2M 85.0(14) . .
Cu3 Cu7 H2M 130.5(14) . .
Cu6 Cu7 H2M 123.8(14) . .
Cu8 Cu7 H2M 38.4(14) . .
Cu11 Cu7 H2M 37.7(14) . .
Cu16 Cu7 H2M 83.1(14) . .
S2 Cu7 H6M 99.0(16) . .
S6 Cu7 H6M 101.3(16) . .
Cu13 Cu7 H6M 48.5(16) . .
Cu3 Cu7 H6M 44.4(16) . .
Cu6 Cu7 H6M 49.0(16) . .
Cu8 Cu7 H6M 106.1(16) . .
Cu11 Cu7 H6M 101.2(17) . .
Cu16 Cu7 H6M 49.1(16) . .
H2M Cu7 H6M 130(2) . .
S1 Cu8 S4 101.84(3) . .
S1 Cu8 Cu13 107.70(3) . .
S4 Cu8 Cu13 136.84(4) . .
S1 Cu8 Cu7 94.93(3) . .
S4 Cu8 Cu7 148.06(3) . .
Cu13 Cu8 Cu7 59.19(3) . .
S1 Cu8 Cu4 55.89(2) . .
S4 Cu8 Cu4 121.28(3) . .
Cu13 Cu8 Cu4 58.37(2) . .
Cu7 Cu8 Cu4 90.636(18) . .
S1 Cu8 Cu11 151.97(3) . .
S4 Cu8 Cu11 94.00(2) . .
Cu13 Cu8 Cu11 73.86(3) . .
Cu7 Cu8 Cu11 61.119(16) . .
Cu4 Cu8 Cu11 132.19(2) . .
S1 Cu8 Cu9 123.08(3) . .
S4 Cu8 Cu9 54.35(2) . .
Cu13 Cu8 Cu9 83.01(3) . .
Cu7 Cu8 Cu9 133.84(2) . .
Cu4 Cu8 Cu9 90.70(2) . .
Cu11 Cu8 Cu9 84.932(19) . .
S1 Cu8 Cu17 142.80(6) . .
S4 Cu8 Cu17 103.33(6) . .
Cu13 Cu8 Cu17 37.37(6) . .
Cu7 Cu8 Cu17 77.39(6) . .
Cu4 Cu8 Cu17 87.51(5) . .
Cu11 Cu8 Cu17 51.04(5) . .
Cu9 Cu8 Cu17 56.59(6) . .
S1 Cu8 H2M 114.4(14) . .
S4 Cu8 H2M 109.5(14) . .
Cu13 Cu8 H2M 86.1(14) . .
Cu7 Cu8 H2M 38.6(14) . .
Cu4 Cu8 H2M 129.2(14) . .
Cu11 Cu8 H2M 37.8(14) . .
Cu9 Cu8 H2M 122.2(14) . .
Cu17 Cu8 H2M 82.1(14) . .
S1 Cu8 H5M 93.8(13) . .
S4 Cu8 H5M 96.6(13) . .
Cu13 Cu8 H5M 51.5(13) . .
Cu7 Cu8 H5M 109.4(13) . .
Cu4 Cu8 H5M 43.4(13) . .
Cu11 Cu8 H5M 107.4(13) . .
Cu9 Cu8 H5M 49.3(13) . .
Cu17 Cu8 H5M 56.6(13) . .
H2M Cu8 H5M 135(2) . .
S4 Cu9 S8 98.66(4) . .
S4 Cu9 Cu14 144.05(5) . .
S8 Cu9 Cu14 98.50(4) . .
S4 Cu9 Cu17 109.67(7) . .
S8 Cu9 Cu17 142.63(6) . .
Cu14 Cu9 Cu17 44.70(6) . .
S4 Cu9 Cu5 118.54(4) . .
S8 Cu9 Cu5 61.05(4) . .
Cu14 Cu9 Cu5 47.55(5) . .
Cu17 Cu9 Cu5 83.74(6) . .
S4 Cu9 Cu2 149.45(3) . 2_676
S8 Cu9 Cu2 92.82(3) . 2_676
Cu14 Cu9 Cu2 60.03(5) . 2_676
Cu17 Cu9 Cu2 75.08(7) . 2_676
Cu5 Cu9 Cu2 91.80(3) . 2_676
S4 Cu9 Cu5' 110.62(6) . .
S8 Cu9 Cu5' 49.68(6) . .
Cu14 Cu9 Cu5' 60.39(6) . .
Cu17 Cu9 Cu5' 96.46(7) . .
Cu2 Cu9 Cu5' 98.42(6) 2_676 .
S4 Cu9 Cu8 55.03(3) . .
S8 Cu9 Cu8 120.83(3) . .
Cu14 Cu9 Cu8 89.08(5) . .
Cu17 Cu9 Cu8 63.23(7) . .
Cu5 Cu9 Cu8 85.10(3) . .
Cu2 Cu9 Cu8 138.30(3) 2_676 .
Cu5' Cu9 Cu8 87.75(7) . .
S4 Cu9 Cu12 95.85(3) . .
S8 Cu9 Cu12 145.94(4) . .
Cu14 Cu9 Cu12 87.14(4) . .
Cu17 Cu9 Cu12 55.74(6) . .
Cu5 Cu9 Cu12 134.61(3) . .
Cu2 Cu9 Cu12 60.994(17) 2_676 .
Cu5' Cu9 Cu12 147.53(5) . .
Cu8 Cu9 Cu12 92.67(2) . .
S4 Cu9 H5M 90.7(12) . .
S8 Cu9 H5M 98.0(12) . .
Cu14 Cu9 H5M 55.7(12) . .
Cu17 Cu9 H5M 58.9(12) . .
Cu5 Cu9 H5M 44.6(12) . .
Cu2 Cu9 H5M 115.7(12) 2_676 .
Cu5' Cu9 H5M 51.0(12) . .
Cu8 Cu9 H5M 42.0(12) . .
Cu12 Cu9 H5M 112.5(12) . .
S5 Cu10 S9 95.12(3) . .
S5 Cu10 Cu18 138.39(7) . .
S9 Cu10 Cu18 104.86(7) . .
S5 Cu10 Cu16 111.31(5) . .
S9 Cu10 Cu16 136.14(5) . .
Cu18 Cu10 Cu16 33.67(7) . .
S5 Cu10 Cu6 93.63(3) . .
S9 Cu10 Cu6 152.87(3) . .
Cu18 Cu10 Cu6 84.94(7) . .
Cu16 Cu10 Cu6 62.11(4) . .
S5 Cu10 Cu5 155.66(4) . 2_676
S9 Cu10 Cu5 93.91(4) . 2_676
Cu18 Cu10 Cu5 59.50(7) . 2_676
Cu16 Cu10 Cu5 76.35(5) . 2_676
Cu6 Cu10 Cu5 68.97(3) . 2_676
S5 Cu10 Cu1 119.14(3) . 2_676
S9 Cu10 Cu1 54.81(3) . 2_676
Cu18 Cu10 Cu1 53.80(7) . 2_676
Cu16 Cu10 Cu1 81.50(4) . 2_676
Cu6 Cu10 Cu1 138.51(3) . 2_676
Cu5 Cu10 Cu1 84.35(3) 2_676 2_676
S5 Cu10 Cu11 60.17(3) . .
S9 Cu10 Cu11 119.34(3) . .
Cu18 Cu10 Cu11 78.24(6) . .
Cu16 Cu10 Cu11 55.82(4) . .
Cu6 Cu10 Cu11 87.19(2) . .
Cu5 Cu10 Cu11 132.17(3) 2_676 .
Cu1 Cu10 Cu11 88.193(19) 2_676 .
S5 Cu10 Cu14 135.85(5) . 2_676
S9 Cu10 Cu14 128.60(5) . 2_676
Cu18 Cu10 Cu14 35.58(8) . 2_676
Cu16 Cu10 Cu14 33.63(5) . 2_676
Cu6 Cu10 Cu14 51.17(4) . 2_676
Cu5 Cu10 Cu14 43.74(5) 2_676 2_676
Cu1 Cu10 Cu14 87.55(4) 2_676 2_676
Cu11 Cu10 Cu14 88.88(4) . 2_676
S5 Cu10 Cu5' 149.79(6) . 2_676
S9 Cu10 Cu5' 89.09(6) . 2_676
Cu18 Cu10 Cu5' 67.87(8) . 2_676
Cu16 Cu10 Cu5' 84.89(6) . 2_676
Cu6 Cu10 Cu5' 70.96(6) . 2_676
Cu1 Cu10 Cu5' 87.52(6) 2_676 2_676
Cu11 Cu10 Cu5' 140.67(6) . 2_676
Cu14 Cu10 Cu5' 51.90(6) 2_676 2_676
S5 Cu10 H4M 118.8(15) . .
S9 Cu10 H4M 118.5(15) . .
Cu18 Cu10 H4M 83.0(15) . .
Cu16 Cu10 H4M 79.2(15) . .
Cu6 Cu10 H4M 36.4(15) . .
Cu5 Cu10 H4M 38.1(15) 2_676 .
Cu1 Cu10 H4M 122.0(15) 2_676 .
Cu11 Cu10 H4M 121.9(15) . .
Cu14 Cu10 H4M 50.0(15) 2_676 .
Cu5' Cu10 H4M 36.9(15) 2_676 .
S5 Cu10 H7M 97.9(14) . .
S9 Cu10 H7M 94.3(14) . .
Cu18 Cu10 H7M 45.4(14) . .
Cu16 Cu10 H7M 49.3(14) . .
Cu6 Cu10 H7M 109.9(14) . .
Cu5 Cu10 H7M 103.9(14) 2_676 .
Cu1 Cu10 H7M 45.5(14) 2_676 .
Cu11 Cu10 H7M 45.3(14) . .
Cu14 Cu10 H7M 75.6(14) 2_676 .
Cu5' Cu10 H7M 111.6(14) 2_676 .
H4M Cu10 H7M 126(2) . .
S3 Cu11 Cu17 111.74(7) . .
S3 Cu11 Cu16 144.45(5) . .
Cu17 Cu11 Cu16 35.19(7) . .
S3 Cu11 S5 95.58(3) . .
Cu17 Cu11 S5 135.50(7) . .
Cu16 Cu11 S5 105.58(5) . .
S3 Cu11 Cu12 57.27(3) . .
Cu17 Cu11 Cu12 60.16(7) . .
Cu16 Cu11 Cu12 87.57(4) . .
S5 Cu11 Cu12 115.98(3) . .
S3 Cu11 Cu10 123.44(3) . .
Cu17 Cu11 Cu10 82.74(7) . .
Cu16 Cu11 Cu10 56.99(4) . .
S5 Cu11 Cu10 52.77(2) . .
Cu12 Cu11 Cu10 92.673(19) . .
S3 Cu11 Cu8 95.44(3) . .
Cu17 Cu11 Cu8 66.48(7) . .
Cu16 Cu11 Cu8 82.11(4) . .
S5 Cu11 Cu8 147.18(3) . .
Cu12 Cu11 Cu8 95.91(2) . .
Cu10 Cu11 Cu8 137.76(2) . .
S3 Cu11 Cu7 142.32(3) . .
Cu17 Cu11 Cu7 83.44(7) . .
Cu16 Cu11 Cu7 64.08(4) . .
S5 Cu11 Cu7 96.08(3) . .
Cu12 Cu11 Cu7 142.38(2) . .
Cu10 Cu11 Cu7 91.689(19) . .
Cu8 Cu11 Cu7 57.966(16) . .
S3 Cu11 Cu15 106.43(4) . .
Cu17 Cu11 Cu15 19.52(7) . .
Cu16 Cu11 Cu15 38.08(4) . .
S5 Cu11 Cu15 120.65(4) . .
Cu12 Cu11 Cu15 49.59(3) . .
Cu10 Cu11 Cu15 69.42(3) . .
Cu8 Cu11 Cu15 85.33(3) . .
Cu7 Cu11 Cu15 98.01(3) . .
S3 Cu11 H2M 106.0(14) . .
Cu17 Cu11 H2M 95.2(14) . .
Cu16 Cu11 H2M 93.0(14) . .
S5 Cu11 H2M 110.7(14) . .
Cu12 Cu11 H2M 131.3(14) . .
Cu10 Cu11 H2M 127.6(14) . .
Cu8 Cu11 H2M 36.5(14) . .
Cu7 Cu11 H2M 36.6(14) . .
Cu15 Cu11 H2M 114.6(14) . .
S3 Cu11 H7M 102.0(14) . .
Cu17 Cu11 H7M 49.5(14) . .
Cu16 Cu11 H7M 50.1(14) . .
S5 Cu11 H7M 92.0(14) . .
Cu12 Cu11 H7M 50.3(14) . .
Cu10 Cu11 H7M 46.1(14) . .
Cu8 Cu11 H7M 115.7(14) . .
Cu7 Cu11 H7M 113.3(14) . .
Cu15 Cu11 H7M 30.3(14) . .
H2M Cu11 H7M 142(2) . .
S11 Cu12 S3 105.26(3) . .
S11 Cu12 Cu15 109.00(4) . .
S3 Cu12 Cu15 130.06(4) . .
S11 Cu12 Cu17 133.66(7) . .
S3 Cu12 Cu17 106.20(7) . .
Cu15 Cu12 Cu17 26.57(7) . .
S11 Cu12 Cu11 124.19(3) . .
S3 Cu12 Cu11 56.12(2) . .
Cu15 Cu12 Cu11 74.62(4) . .
Cu17 Cu12 Cu11 55.18(7) . .
S11 Cu12 Cu1 57.01(2) . 2_676
S3 Cu12 Cu1 123.34(3) . 2_676
Cu15 Cu12 Cu1 56.42(4) . 2_676
Cu17 Cu12 Cu1 77.32(6) . 2_676
Cu11 Cu12 Cu1 88.260(18) . 2_676
S11 Cu12 Cu9 149.48(3) . .
S3 Cu12 Cu9 93.03(3) . .
Cu15 Cu12 Cu9 74.77(4) . .
Cu17 Cu12 Cu9 59.58(6) . .
Cu11 Cu12 Cu9 86.28(2) . .
Cu1 Cu12 Cu9 130.51(2) 2_676 .
S11 Cu12 Cu2 95.51(3) . 2_676
S3 Cu12 Cu2 146.54(3) . 2_676
Cu15 Cu12 Cu2 63.07(4) . 2_676
Cu17 Cu12 Cu2 75.48(7) . 2_676
Cu11 Cu12 Cu2 129.74(2) . 2_676
Cu1 Cu12 Cu2 89.940(19) 2_676 2_676
Cu9 Cu12 Cu2 58.263(17) . 2_676
S11 Cu12 H7M 96.7(14) . .
S3 Cu12 H7M 97.2(14) . .
Cu15 Cu12 H7M 44.2(14) . .
Cu17 Cu12 H7M 46.4(13) . .
Cu11 Cu12 H7M 46.2(14) . .
Cu1 Cu12 H7M 44.3(14) 2_676 .
Cu9 Cu12 H7M 105.2(13) . .
Cu2 Cu12 H7M 106.2(14) 2_676 .
Cu16 Cu13 Cu18 111.84(11) . 2_676
Cu16 Cu13 Cu17 50.13(11) . .
Cu18 Cu13 Cu17 93.64(14) 2_676 .
Cu16 Cu13 Cu15 88.33(8) . 2_676
Cu18 Cu13 Cu15 43.86(11) 2_676 2_676
Cu17 Cu13 Cu15 106.84(10) . 2_676
Cu16 Cu13 Cu14 93.18(8) . .
Cu18 Cu13 Cu14 44.29(11) 2_676 .
Cu17 Cu13 Cu14 53.35(10) . .
Cu15 Cu13 Cu14 79.45(6) 2_676 .
Cu16 Cu13 Cu3 116.59(7) . .
Cu18 Cu13 Cu3 99.09(10) 2_676 .
Cu17 Cu13 Cu3 164.85(10) . .
Cu15 Cu13 Cu3 77.47(5) 2_676 .
Cu14 Cu13 Cu3 141.30(5) . .
Cu16 Cu13 Cu8 105.18(6) . .
Cu18 Cu13 Cu8 125.65(10) 2_676 .
Cu17 Cu13 Cu8 80.71(9) . .
Cu15 Cu13 Cu8 166.24(7) 2_676 .
Cu14 Cu13 Cu8 96.86(5) . .
Cu3 Cu13 Cu8 98.26(3) . .
Cu16 Cu13 Cu7 77.57(6) . .
Cu18 Cu13 Cu7 161.71(11) 2_676 .
Cu17 Cu13 Cu7 104.14(10) . .
Cu15 Cu13 Cu7 124.23(6) 2_676 .
Cu14 Cu13 Cu7 153.62(5) . .
Cu3 Cu13 Cu7 62.71(3) . .
Cu8 Cu13 Cu7 62.84(2) . .
Cu16 Cu13 Cu14 38.15(6) . 2_676
Cu18 Cu13 Cu14 88.46(10) 2_676 2_676
Cu17 Cu13 Cu14 79.20(10) . 2_676
Cu15 Cu13 Cu14 52.45(6) 2_676 2_676
Cu14 Cu13 Cu14 97.16(5) . 2_676
Cu3 Cu13 Cu14 92.88(5) . 2_676
Cu8 Cu13 Cu14 141.28(5) . 2_676
Cu7 Cu13 Cu14 90.65(5) . 2_676
Cu16 Cu13 Cu4 169.93(7) . .
Cu18 Cu13 Cu4 76.18(9) 2_676 .
Cu17 Cu13 Cu4 125.19(10) . .
Cu15 Cu13 Cu4 101.75(6) 2_676 .
Cu14 Cu13 Cu4 88.65(5) . .
Cu3 Cu13 Cu4 66.45(3) . .
Cu8 Cu13 Cu4 64.76(2) . .
Cu7 Cu13 Cu4 96.50(3) . .
Cu14 Cu13 Cu4 151.30(5) 2_676 .
Cu16 Cu13 Cu15 46.01(6) . .
Cu18 Cu13 Cu15 80.36(10) 2_676 .
Cu17 Cu13 Cu15 19.26(9) . .
Cu15 Cu13 Cu15 87.62(6) 2_676 .
Cu14 Cu13 Cu15 47.86(6) . .
Cu3 Cu13 Cu15 158.04(5) . .
Cu8 Cu13 Cu15 99.78(5) . .
Cu7 Cu13 Cu15 115.69(5) . .
Cu14 Cu13 Cu15 65.17(6) 2_676 .
Cu4 Cu13 Cu15 133.37(5) . .
Cu16 Cu13 Cu17 73.41(8) . 2_676
Cu18 Cu13 Cu17 44.48(11) 2_676 2_676
Cu17 Cu13 Cu17 85.83(10) . 2_676
Cu15 Cu13 Cu17 21.04(7) 2_676 2_676
Cu14 Cu13 Cu17 66.44(8) . 2_676
Cu3 Cu13 Cu17 97.48(7) . 2_676
Cu8 Cu13 Cu17 162.87(7) . 2_676
Cu7 Cu13 Cu17 131.52(7) . 2_676
Cu14 Cu13 Cu17 43.99(7) 2_676 2_676
Cu4 Cu13 Cu17 116.28(7) . 2_676
Cu15 Cu13 Cu17 66.59(7) . 2_676
Cu16 Cu13 H5M 127.2(12) . .
Cu18 Cu13 H5M 79.6(12) 2_676 .
Cu17 Cu13 H5M 78.7(12) . .
Cu15 Cu13 H5M 123.0(13) 2_676 .
Cu14 Cu13 H5M 58.5(12) . .
Cu3 Cu13 H5M 111.6(12) . .
Cu8 Cu13 H5M 46.1(12) . .
Cu7 Cu13 H5M 107.7(13) . .
Cu14 Cu13 H5M 154.1(13) 2_676 .
Cu4 Cu13 H5M 46.6(12) . .
Cu15 Cu13 H5M 90.0(12) . .
Cu17 Cu13 H5M 120.8(13) 2_676 .
Cu16 Cu13 H6M 69.7(16) . .
Cu18 Cu13 H6M 118.0(6) 2_676 .
Cu17 Cu13 H6M 119.3(16) . .
Cu15 Cu13 H6M 75.4(4) 2_676 .
Cu14 Cu13 H6M 149.8(9) . .
Cu3 Cu13 H6M 46.9(16) . .
Cu8 Cu13 H6M 111.4(5) . .
Cu7 Cu13 H6M 49.0(4) . .
Cu14 Cu13 H6M 53.9(13) 2_676 .
Cu4 Cu13 H6M 112.6(16) . .
Cu15 Cu13 H6M 114.0(16) . .
Cu17 Cu13 H6M 84.5(6) 2_676 .
H5M Cu13 H6M 151.4(17) . .
Cu16 Cu13 H8M 55.32(6) . .
Cu18 Cu13 H8M 56.82(9) 2_676 .
Cu17 Cu13 H8M 54.25(9) . .
Cu15 Cu13 H8M 52.60(5) 2_676 .
Cu14 Cu13 H8M 50.30(5) . .
Cu3 Cu13 H8M 127.80(4) . .
Cu8 Cu13 H8M 133.86(5) . .
Cu7 Cu13 H8M 131.89(5) . .
Cu14 Cu13 H8M 46.86(5) 2_676 .
Cu4 Cu13 H8M 131.52(5) . .
Cu15 Cu13 H8M 35.01(4) . .
Cu17 Cu13 H8M 31.58(6) 2_676 .
H5M Cu13 H8M 108.3(13) . .
H6M Cu13 H8M 100.3(11) . .
Cu16 Cu14 Cu18 50.56(11) 2_676 2_676
Cu16 Cu14 Cu17 99.18(10) 2_676 .
Cu18 Cu14 Cu17 85.97(14) 2_676 .
Cu16 Cu14 Cu15 85.22(9) 2_676 .
Cu18 Cu14 Cu15 99.79(11) 2_676 .
Cu17 Cu14 Cu15 32.86(9) . .
Cu16 Cu14 Cu5 117.16(10) 2_676 .
Cu18 Cu14 Cu5 83.71(12) 2_676 .
Cu17 Cu14 Cu5 120.57(14) . .
Cu15 Cu14 Cu5 151.39(11) . .
Cu16 Cu14 Cu6 79.28(8) 2_676 2_676
Cu18 Cu14 Cu6 112.80(11) 2_676 2_676
Cu17 Cu14 Cu6 151.61(14) . 2_676
Cu15 Cu14 Cu6 119.60(11) . 2_676
Cu5 Cu14 Cu6 83.89(5) . 2_676
Cu16 Cu14 Cu13 81.99(8) 2_676 .
Cu18 Cu14 Cu13 44.54(10) 2_676 .
Cu17 Cu14 Cu13 44.96(9) . .
Cu15 Cu14 Cu13 71.10(6) . .
Cu5 Cu14 Cu13 93.42(9) . .
Cu6 Cu14 Cu13 157.28(6) 2_676 .
Cu16 Cu14 Cu9 169.46(9) 2_676 .
Cu18 Cu14 Cu9 125.19(14) 2_676 .
Cu17 Cu14 Cu9 70.36(8) . .
Cu15 Cu14 Cu9 86.33(6) . .
Cu5 Cu14 Cu9 69.11(6) . .
Cu6 Cu14 Cu9 110.47(5) 2_676 .
Cu13 Cu14 Cu9 89.33(6) . .
Cu16 Cu14 Cu13 40.48(7) 2_676 2_676
Cu18 Cu14 Cu13 78.14(10) 2_676 2_676
Cu17 Cu14 Cu13 71.41(9) . 2_676
Cu15 Cu14 Cu13 46.94(6) . 2_676
Cu5 Cu14 Cu13 157.59(7) . 2_676
Cu6 Cu14 Cu13 91.08(7) 2_676 2_676
Cu13 Cu14 Cu13 82.84(5) . 2_676
Cu9 Cu14 Cu13 132.63(6) . 2_676
Cu16 Cu14 Cu2 119.52(13) 2_676 2_676
Cu18 Cu14 Cu2 167.64(13) 2_676 2_676
Cu17 Cu14 Cu2 88.96(10) . 2_676
Cu15 Cu14 Cu2 70.34(7) . 2_676
Cu5 Cu14 Cu2 108.54(6) . 2_676
Cu6 Cu14 Cu2 68.17(5) 2_676 2_676
Cu13 Cu14 Cu2 133.30(6) . 2_676
Cu9 Cu14 Cu2 62.99(3) . 2_676
Cu13 Cu14 Cu2 89.56(7) 2_676 2_676
Cu16 Cu14 Cu5' 123.73(11) 2_676 .
Cu18 Cu14 Cu5' 90.28(13) 2_676 .
Cu17 Cu14 Cu5' 118.94(14) . .
Cu15 Cu14 Cu5' 147.47(11) . .
Cu6 Cu14 Cu5' 83.46(8) 2_676 .
Cu13 Cu14 Cu5' 96.51(10) . .
Cu9 Cu14 Cu5' 63.01(7) . .
Cu13 Cu14 Cu5' 164.20(8) 2_676 .
Cu2 Cu14 Cu5' 102.02(7) 2_676 .
Cu16 Cu14 Cu15 40.81(7) 2_676 2_676
Cu18 Cu14 Cu15 21.08(9) 2_676 2_676
Cu17 Cu14 Cu15 73.23(9) . 2_676
Cu15 Cu14 Cu15 80.16(6) . 2_676
Cu5 Cu14 Cu15 104.63(9) . 2_676
Cu6 Cu14 Cu15 117.08(6) 2_676 2_676
Cu13 Cu14 Cu15 41.85(4) . 2_676
Cu9 Cu14 Cu15 131.12(8) . 2_676
Cu13 Cu14 Cu15 58.54(4) 2_676 2_676
Cu2 Cu14 Cu15 146.82(8) 2_676 2_676
Cu5' Cu14 Cu15 111.07(10) . 2_676
Cu16 Cu14 H8M 52.34(6) 2_676 .
Cu18 Cu14 H8M 52.91(9) 2_676 .
Cu17 Cu14 H8M 47.37(8) . .
Cu15 Cu14 H8M 47.36(5) . .
Cu5 Cu14 H8M 132.16(12) . .
Cu6 Cu14 H8M 127.70(9) 2_676 .
Cu13 Cu14 H8M 42.76(4) . .
Cu9 Cu14 H8M 117.12(6) . .
Cu13 Cu14 H8M 40.08(4) 2_676 .
Cu2 Cu14 H8M 116.09(8) 2_676 .
Cu5' Cu14 H8M 137.05(12) . .
Cu15 Cu14 H8M 32.81(4) 2_676 .
Cu17 Cu15 Cu18 98.3(2) . .
Cu17 Cu15 Cu16 50.06(16) . .
Cu18 Cu15 Cu16 48.23(14) . .
Cu17 Cu15 Cu13 122.37(15) . 2_676
Cu18 Cu15 Cu13 60.50(13) . 2_676
Cu16 Cu15 Cu13 91.81(8) . 2_676
Cu17 Cu15 Cu14 69.28(16) . .
Cu18 Cu15 Cu14 124.37(14) . .
Cu16 Cu15 Cu14 100.43(9) . .
Cu13 Cu15 Cu14 80.61(7) 2_676 .
Cu17 Cu15 Cu12 81.73(14) . .
Cu18 Cu15 Cu12 122.91(13) . .
Cu16 Cu15 Cu12 107.55(8) . .
Cu13 Cu15 Cu12 155.79(8) 2_676 .
Cu14 Cu15 Cu12 109.04(7) . .
Cu17 Cu15 Cu1 128.72(16) . 2_676
Cu18 Cu15 Cu1 68.37(12) . 2_676
Cu16 Cu15 Cu1 100.15(8) . 2_676
Cu13 Cu15 Cu1 94.60(7) 2_676 2_676
Cu14 Cu15 Cu1 159.00(9) . 2_676
Cu12 Cu15 Cu1 68.27(4) . 2_676
Cu17 Cu15 Cu16 89.04(14) . 2_676
Cu18 Cu15 Cu16 88.35(13) . 2_676
Cu16 Cu15 Cu16 88.75(7) . 2_676
Cu13 Cu15 Cu16 42.54(5) 2_676 2_676
Cu14 Cu15 Cu16 39.89(6) . 2_676
Cu12 Cu15 Cu16 148.28(8) . 2_676
Cu1 Cu15 Cu16 136.78(8) 2_676 2_676
Cu17 Cu15 Cu13 30.05(13) . .
Cu18 Cu15 Cu13 81.25(13) . .
Cu16 Cu15 Cu13 40.12(6) . .
Cu13 Cu15 Cu13 92.38(6) 2_676 .
Cu14 Cu15 Cu13 61.04(7) . .
Cu12 Cu15 Cu13 111.77(6) . .
Cu1 Cu15 Cu13 139.90(7) 2_676 .
Cu16 Cu15 Cu13 64.00(5) 2_676 .
Cu17 Cu15 Cu2 106.54(17) . 2_676
Cu18 Cu15 Cu2 155.04(15) . 2_676
Cu16 Cu15 Cu2 156.56(9) . 2_676
Cu13 Cu15 Cu2 102.55(7) 2_676 2_676
Cu14 Cu15 Cu2 64.50(6) . 2_676
Cu12 Cu15 Cu2 64.66(4) . 2_676
Cu1 Cu15 Cu2 97.09(5) 2_676 2_676
Cu16 Cu15 Cu2 89.48(6) 2_676 2_676
Cu13 Cu15 Cu2 119.74(6) . 2_676
Cu17 Cu15 Cu14 79.07(16) . 2_676
Cu18 Cu15 Cu14 26.74(12) . 2_676
Cu16 Cu15 Cu14 33.84(7) . 2_676
Cu13 Cu15 Cu14 58.70(6) 2_676 2_676
Cu14 Cu15 Cu14 99.84(6) . 2_676
Cu12 Cu15 Cu14 136.66(7) . 2_676
Cu1 Cu15 Cu14 94.92(6) 2_676 2_676
Cu16 Cu15 Cu14 69.70(6) 2_676 2_676
Cu13 Cu15 Cu14 56.29(6) . 2_676
Cu2 Cu15 Cu14 158.56(6) 2_676 2_676
Cu17 Cu15 Cu3 163.87(18) . 2_676
Cu18 Cu15 Cu3 96.68(14) . 2_676
Cu16 Cu15 Cu3 144.62(9) . 2_676
Cu13 Cu15 Cu3 61.12(5) 2_676 2_676
Cu14 Cu15 Cu3 97.17(8) . 2_676
Cu12 Cu15 Cu3 95.16(5) . 2_676
Cu1 Cu15 Cu3 63.11(4) 2_676 2_676
Cu16 Cu15 Cu3 85.39(6) 2_676 2_676
Cu13 Cu15 Cu3 149.32(6) . 2_676
Cu2 Cu15 Cu3 58.36(3) 2_676 2_676
Cu14 Cu15 Cu3 112.86(7) 2_676 2_676
Cu17 Cu15 H7M 77.9(17) . .
Cu18 Cu15 H7M 68.2(16) . .
Cu16 Cu15 H7M 62.8(16) . .
Cu13 Cu15 H7M 126.4(16) 2_676 .
Cu14 Cu15 H7M 146.0(16) . .
Cu12 Cu15 H7M 55.9(16) . .
Cu1 Cu15 H7M 50.9(16) 2_676 .
Cu16 Cu15 H7M 150.8(16) 2_676 .
Cu13 Cu15 H7M 94.3(16) . .
Cu2 Cu15 H7M 119.1(16) 2_676 .
Cu14 Cu15 H7M 82.1(16) 2_676 .
Cu3 Cu15 H7M 113.5(16) 2_676 .
Cu17 Cu15 H8M 66.66(14) . .
Cu18 Cu15 H8M 65.16(12) . .
Cu16 Cu15 H8M 52.14(6) . .
Cu13 Cu15 H8M 55.74(5) 2_676 .
Cu14 Cu15 H8M 60.14(6) . .
Cu12 Cu15 H8M 148.39(9) . .
Cu1 Cu15 H8M 132.89(9) 2_676 .
Cu16 Cu15 H8M 36.61(5) 2_676 .
Cu13 Cu15 H8M 36.65(4) . .
Cu2 Cu15 H8M 122.69(7) 2_676 .
Cu14 Cu15 H8M 39.70(5) 2_676 .
Cu3 Cu15 H8M 115.02(7) 2_676 .
H7M Cu15 H8M 114.6(16) . .
Cu18 Cu16 Cu17 82.66(19) . .
Cu18 Cu16 Cu14 67.75(15) . 2_676
Cu17 Cu16 Cu14 132.76(15) . 2_676
Cu18 Cu16 Cu13 125.26(14) . .
Cu17 Cu16 Cu13 66.30(13) . .
Cu14 Cu16 Cu13 101.37(10) 2_676 .
Cu18 Cu16 Cu15 45.61(14) . .
Cu17 Cu16 Cu15 37.05(13) . .
Cu14 Cu16 Cu15 105.35(11) 2_676 .
Cu13 Cu16 Cu15 93.87(9) . .
Cu18 Cu16 Cu11 113.00(13) . .
Cu17 Cu16 Cu11 71.47(11) . .
Cu14 Cu16 Cu11 153.59(10) 2_676 .
Cu13 Cu16 Cu11 98.82(8) . .
Cu15 Cu16 Cu11 90.00(7) . .
Cu18 Cu16 Cu10 72.69(12) . .
Cu17 Cu16 Cu10 116.95(13) . .
Cu14 Cu16 Cu10 89.14(9) 2_676 .
Cu13 Cu16 Cu10 161.56(9) . .
Cu15 Cu16 Cu10 97.92(7) . .
Cu11 Cu16 Cu10 67.19(4) . .
Cu18 Cu16 Cu15 90.09(12) . 2_676
Cu17 Cu16 Cu15 90.88(12) . 2_676
Cu14 Cu16 Cu15 54.89(7) 2_676 2_676
Cu13 Cu16 Cu15 49.13(6) . 2_676
Cu15 Cu16 Cu15 91.25(7) . 2_676
Cu11 Cu16 Cu15 147.93(8) . 2_676
Cu10 Cu16 Cu15 144.00(8) . 2_676
Cu18 Cu16 Cu6 112.82(15) . .
Cu17 Cu16 Cu6 162.26(14) . .
Cu14 Cu16 Cu6 63.94(8) 2_676 .
Cu13 Cu16 Cu6 107.94(7) . .
Cu15 Cu16 Cu6 156.99(10) . .
Cu11 Cu16 Cu6 93.70(5) . .
Cu10 Cu16 Cu6 63.05(4) . .
Cu15 Cu16 Cu6 97.45(6) 2_676 .
Cu18 Cu16 Cu13 32.35(11) . 2_676
Cu17 Cu16 Cu13 73.10(12) . 2_676
Cu14 Cu16 Cu13 62.07(8) 2_676 2_676
Cu13 Cu16 Cu13 93.86(6) . 2_676
Cu15 Cu16 Cu13 44.14(6) . 2_676
Cu11 Cu16 Cu13 133.24(6) . 2_676
Cu10 Cu16 Cu13 104.48(6) . 2_676
Cu15 Cu16 Cu13 60.12(5) 2_676 2_676
Cu6 Cu16 Cu13 124.60(7) . 2_676
Cu18 Cu16 Cu17 65.52(13) . 2_676
Cu17 Cu16 Cu17 89.59(12) . 2_676
Cu14 Cu16 Cu17 45.24(8) 2_676 2_676
Cu13 Cu16 Cu17 70.17(8) . 2_676
Cu15 Cu16 Cu17 75.65(9) . 2_676
Cu11 Cu16 Cu17 160.88(9) . 2_676
Cu10 Cu16 Cu17 126.55(9) . 2_676
Cu15 Cu16 Cu17 24.66(7) 2_676 2_676
Cu6 Cu16 Cu17 104.46(8) . 2_676
Cu13 Cu16 Cu17 37.04(7) 2_676 2_676
Cu18 Cu16 Cu7 169.30(14) . .
Cu17 Cu16 Cu7 104.86(14) . .
Cu14 Cu16 Cu7 110.43(10) 2_676 .
Cu13 Cu16 Cu7 65.31(6) . .
Cu15 Cu16 Cu7 141.29(9) . .
Cu11 Cu16 Cu7 63.57(4) . .
Cu10 Cu16 Cu7 96.91(5) . .
Cu15 Cu16 Cu7 97.30(6) 2_676 .
Cu6 Cu16 Cu7 58.66(3) . .
Cu13 Cu16 Cu7 156.93(6) 2_676 .
Cu17 Cu16 Cu7 121.33(8) 2_676 .
Cu18 Cu16 H6M 135.9(5) . .
Cu17 Cu16 H6M 126.0(15) . .
Cu14 Cu16 H6M 68.4(6) 2_676 .
Cu13 Cu16 H6M 60.4(15) . .
Cu15 Cu16 H6M 149.8(14) . .
Cu11 Cu16 H6M 108.2(4) . .
Cu10 Cu16 H6M 111.1(15) . .
Cu15 Cu16 H6M 60.5(10) 2_676 .
Cu6 Cu16 H6M 48.4(15) . .
Cu13 Cu16 H6M 117.1(6) 2_676 .
Cu17 Cu16 H6M 80.5(7) 2_676 .
Cu7 Cu16 H6M 44.9(3) . .
Cu18 Cu16 H7M 62.0(15) . .
Cu17 Cu16 H7M 65.9(15) . .
Cu14 Cu16 H7M 122.5(15) 2_676 .
Cu13 Cu16 H7M 129.6(15) . .
Cu15 Cu16 H7M 54.0(15) . .
Cu11 Cu16 H7M 51.0(15) . .
Cu10 Cu16 H7M 51.2(15) . .
Cu15 Cu16 H7M 144.7(15) 2_676 .
Cu6 Cu16 H7M 112.7(15) . .
Cu13 Cu16 H7M 86.9(15) 2_676 .
Cu17 Cu16 H7M 123.9(15) 2_676 .
Cu7 Cu16 H7M 113.7(15) . .
H6M Cu16 H7M 154.8(18) . .
Cu18 Cu16 H8M 64.87(12) . .
Cu17 Cu16 H8M 61.71(11) . .
Cu14 Cu16 H8M 72.39(8) 2_676 .
Cu13 Cu16 H8M 60.88(6) . .
Cu15 Cu16 H8M 53.73(6) . .
Cu11 Cu16 H8M 133.11(9) . .
Cu10 Cu16 H8M 137.43(9) . .
Cu15 Cu16 H8M 37.52(5) 2_676 .
Cu6 Cu16 H8M 131.71(8) . .
Cu13 Cu16 H8M 32.98(4) 2_676 .
Cu17 Cu16 H8M 27.88(7) 2_676 .
Cu7 Cu16 H8M 125.29(8) . .
H6M Cu16 H8M 97.5(11) . .
H7M Cu16 H8M 107.5(15) . .
Cu15 Cu17 Cu16 92.9(2) . .
Cu15 Cu17 Cu13 130.69(19) . .
Cu16 Cu17 Cu13 63.56(13) . .
Cu15 Cu17 Cu18 45.10(15) . .
Cu16 Cu17 Cu18 47.80(14) . .
Cu13 Cu17 Cu18 99.22(15) . .
Cu15 Cu17 Cu14 77.85(18) . .
Cu16 Cu17 Cu14 124.48(15) . .
Cu13 Cu17 Cu14 81.69(12) . .
Cu18 Cu17 Cu14 103.63(16) . .
Cu15 Cu17 Cu11 116.07(18) . .
Cu16 Cu17 Cu11 73.34(12) . .
Cu13 Cu17 Cu11 98.63(14) . .
Cu18 Cu17 Cu11 97.64(14) . .
Cu14 Cu17 Cu11 158.41(14) . .
Cu15 Cu17 Cu18 97.12(17) . 2_676
Cu16 Cu17 Cu18 86.31(14) . 2_676
Cu13 Cu17 Cu18 42.71(9) . 2_676
Cu18 Cu17 Cu18 91.96(13) . 2_676
Cu14 Cu17 Cu18 42.45(10) . 2_676
Cu11 Cu17 Cu18 141.29(15) . 2_676
Cu15 Cu17 Cu12 71.70(15) . .
Cu16 Cu17 Cu12 120.54(15) . .
Cu13 Cu17 Cu12 157.56(15) . .
Cu18 Cu17 Cu12 97.89(14) . .
Cu14 Cu17 Cu12 108.19(13) . .
Cu11 Cu17 Cu12 64.66(6) . .
Cu18 Cu17 Cu12 150.63(14) 2_676 .
Cu15 Cu17 Cu9 106.80(19) . .
Cu16 Cu17 Cu9 160.00(19) . .
Cu13 Cu17 Cu9 104.08(12) . .
Cu18 Cu17 Cu9 151.82(18) . .
Cu14 Cu17 Cu9 64.93(8) . .
Cu11 Cu17 Cu9 94.35(8) . .
Cu18 Cu17 Cu9 94.46(11) 2_676 .
Cu12 Cu17 Cu9 64.68(6) . .
Cu15 Cu17 Cu13 36.59(11) . 2_676
Cu16 Cu17 Cu13 75.73(12) . 2_676
Cu13 Cu17 Cu13 94.17(10) . 2_676
Cu18 Cu17 Cu13 39.05(10) . 2_676
Cu14 Cu17 Cu13 64.60(9) . 2_676
Cu11 Cu17 Cu13 136.47(12) . 2_676
Cu18 Cu17 Cu13 64.24(8) 2_676 2_676
Cu12 Cu17 Cu13 108.26(11) . 2_676
Cu9 Cu17 Cu13 122.49(11) . 2_676
Cu15 Cu17 Cu16 66.30(13) . 2_676
Cu16 Cu17 Cu16 90.41(12) . 2_676
Cu13 Cu17 Cu16 70.99(9) . 2_676
Cu18 Cu17 Cu16 72.29(12) . 2_676
Cu14 Cu17 Cu16 35.58(6) . 2_676
Cu11 Cu17 Cu16 163.53(13) . 2_676
Cu18 Cu17 Cu16 30.92(8) 2_676 2_676
Cu12 Cu17 Cu16 128.55(12) . 2_676
Cu9 Cu17 Cu16 100.51(9) . 2_676
Cu13 Cu17 Cu16 36.42(5) 2_676 2_676
Cu15 Cu17 Cu14 77.41(15) . 2_676
Cu16 Cu17 Cu14 24.93(9) . 2_676
Cu13 Cu17 Cu14 63.50(9) . 2_676
Cu18 Cu17 Cu14 36.04(11) . 2_676
Cu14 Cu17 Cu14 101.61(10) . 2_676
Cu11 Cu17 Cu14 97.72(10) . 2_676
Cu18 Cu17 Cu14 69.39(9) 2_676 2_676
Cu12 Cu17 Cu14 130.63(11) . 2_676
Cu9 Cu17 Cu14 163.81(11) . 2_676
Cu13 Cu17 Cu14 52.37(6) 2_676 2_676
Cu16 Cu17 Cu14 66.39(7) 2_676 2_676
Cu15 Cu17 H7M 65.0(15) . .
Cu16 Cu17 H7M 68.4(15) . .
Cu13 Cu17 H7M 129.4(15) . .
Cu18 Cu17 H7M 55.6(15) . .
Cu14 Cu17 H7M 141.8(16) . .
Cu11 Cu17 H7M 51.7(15) . .
Cu18 Cu17 H7M 147.2(15) 2_676 .
Cu12 Cu17 H7M 52.8(15) . .
Cu9 Cu17 H7M 116.5(15) . .
Cu13 Cu17 H7M 88.6(15) 2_676 .
Cu16 Cu17 H7M 125.0(15) 2_676 .
Cu14 Cu17 H7M 79.5(15) 2_676 .
Cu15 Cu17 H8M 70.59(14) . .
Cu16 Cu17 H8M 62.35(11) . .
Cu13 Cu17 H8M 60.14(10) . .
Cu18 Cu17 H8M 54.17(11) . .
Cu14 Cu17 H8M 62.99(9) . .
Cu11 Cu17 H8M 135.61(16) . .
Cu18 Cu17 H8M 37.79(8) 2_676 .
Cu12 Cu17 H8M 142.29(17) . .
Cu9 Cu17 H8M 127.13(14) . .
Cu13 Cu17 H8M 34.03(7) 2_676 .
Cu16 Cu17 H8M 28.06(7) 2_676 .
Cu14 Cu17 H8M 38.62(7) 2_676 .
H7M Cu17 H8M 109.6(15) . .
Cu15 Cu18 Cu16 86.16(17) . .
Cu15 Cu18 Cu14 132.18(19) . 2_676
Cu16 Cu18 Cu14 61.69(15) . 2_676
Cu15 Cu18 Cu13 75.65(16) . 2_676
Cu16 Cu18 Cu13 121.25(17) . 2_676
Cu14 Cu18 Cu13 91.17(14) 2_676 2_676
Cu15 Cu18 Cu17 36.62(12) . .
Cu16 Cu18 Cu17 49.54(14) . .
Cu14 Cu18 Cu17 102.88(17) 2_676 .
Cu13 Cu18 Cu17 96.47(16) 2_676 .
Cu15 Cu18 Cu1 78.84(14) . 2_676
Cu16 Cu18 Cu1 125.64(16) . 2_676
Cu14 Cu18 Cu1 148.36(16) 2_676 2_676
Cu13 Cu18 Cu1 105.05(14) 2_676 2_676
Cu17 Cu18 Cu1 102.05(15) . 2_676
Cu15 Cu18 Cu10 117.81(16) . .
Cu16 Cu18 Cu10 73.64(13) . .
Cu14 Cu18 Cu10 87.69(13) 2_676 .
Cu13 Cu18 Cu10 162.00(15) 2_676 .
Cu17 Cu18 Cu10 101.30(14) . .
Cu1 Cu18 Cu10 68.52(7) 2_676 .
Cu15 Cu18 Cu17 93.24(15) . 2_676
Cu16 Cu18 Cu17 83.57(14) . 2_676
Cu14 Cu18 Cu17 51.58(10) 2_676 2_676
Cu13 Cu18 Cu17 43.66(10) 2_676 2_676
Cu17 Cu18 Cu17 88.04(13) . 2_676
Cu1 Cu18 Cu17 148.46(15) 2_676 2_676
Cu10 Cu18 Cu17 139.22(15) . 2_676
Cu15 Cu18 Cu5 171.1(2) . 2_676
Cu16 Cu18 Cu5 102.70(17) . 2_676
Cu14 Cu18 Cu5 54.82(10) 2_676 2_676
Cu13 Cu18 Cu5 99.97(12) 2_676 2_676
Cu17 Cu18 Cu5 152.24(18) . 2_676
Cu1 Cu18 Cu5 95.10(9) 2_676 2_676
Cu10 Cu18 Cu5 64.93(8) . 2_676
Cu17 Cu18 Cu5 88.59(11) 2_676 2_676
Cu15 Cu18 Cu4 113.33(18) . 2_676
Cu16 Cu18 Cu4 160.50(19) . 2_676
Cu14 Cu18 Cu4 101.96(13) 2_676 2_676
Cu13 Cu18 Cu4 66.32(9) 2_676 2_676
Cu17 Cu18 Cu4 149.93(18) . 2_676
Cu1 Cu18 Cu4 62.32(6) 2_676 2_676
Cu10 Cu18 Cu4 96.35(8) . 2_676
Cu17 Cu18 Cu4 94.33(11) 2_676 2_676
Cu5 Cu18 Cu4 57.82(6) 2_676 2_676
Cu15 Cu18 Cu13 69.77(12) . .
Cu16 Cu18 Cu13 30.04(9) . .
Cu14 Cu18 Cu13 64.97(10) 2_676 .
Cu13 Cu18 Cu13 92.14(10) 2_676 .
Cu17 Cu18 Cu13 38.23(10) . .
Cu1 Cu18 Cu13 139.08(12) 2_676 .
Cu10 Cu18 Cu13 103.58(10) . .
Cu17 Cu18 Cu13 61.04(9) 2_676 .
Cu5 Cu18 Cu13 118.51(12) 2_676 .
Cu4 Cu18 Cu13 155.32(10) 2_676 .
Cu15 Cu18 Cu16 62.87(12) . 2_676
Cu16 Cu18 Cu16 88.07(12) . 2_676
Cu14 Cu18 Cu16 80.51(10) 2_676 2_676
Cu13 Cu18 Cu16 33.99(7) 2_676 2_676
Cu17 Cu18 Cu16 67.84(11) . 2_676
Cu1 Cu18 Cu16 127.33(13) 2_676 2_676
Cu10 Cu18 Cu16 161.40(12) . 2_676
Cu17 Cu18 Cu16 31.01(8) 2_676 2_676
Cu5 Cu18 Cu16 117.59(11) 2_676 2_676
Cu4 Cu18 Cu16 100.12(9) 2_676 2_676
Cu13 Cu18 Cu16 58.36(6) . 2_676
Cu15 Cu18 H7M 65.7(16) . .
Cu16 Cu18 H7M 72.4(16) . .
Cu14 Cu18 H7M 126.2(16) 2_676 .
Cu13 Cu18 H7M 138.3(16) 2_676 .
Cu17 Cu18 H7M 61.0(16) . .
Cu1 Cu18 H7M 53.7(16) 2_676 .
Cu10 Cu18 H7M 52.2(16) . .
Cu17 Cu18 H7M 148.5(16) 2_676 .
Cu5 Cu18 H7M 115.9(16) 2_676 .
Cu4 Cu18 H7M 115.1(16) 2_676 .
Cu13 Cu18 H7M 88.9(16) . .
Cu16 Cu18 H7M 125.8(16) 2_676 .
Cu15 Cu18 H8M 64.42(12) . .
Cu16 Cu18 H8M 61.78(11) . .
Cu14 Cu18 H8M 69.18(11) 2_676 .
Cu13 Cu18 H8M 59.93(9) 2_676 .
Cu17 Cu18 H8M 51.67(10) . .
Cu1 Cu18 H8M 142.45(18) 2_676 .
Cu10 Cu18 H8M 135.29(16) . .
Cu17 Cu18 H8M 36.36(8) 2_676 .
Cu5 Cu18 H8M 120.38(15) 2_676 .
Cu4 Cu18 H8M 124.94(14) 2_676 .
Cu13 Cu18 H8M 32.21(6) . .
Cu16 Cu18 H8M 26.29(6) 2_676 .
H7M Cu18 H8M 112.4(16) . .
C1 N1 C6 123.2(3) . .
C1 N1 C2 122.1(3) . .
C6 N1 C2 114.3(3) . .
C10 N2 C11 122.8(3) . .
C10 N2 C15 122.5(3) . .
C11 N2 C15 114.7(2) . .
C19 N3 C20 123.0(3) . .
C19 N3 C24 121.4(3) . .
C20 N3 C24 115.5(3) . .
C28 N4 C29 122.0(3) . .
C28 N4 C33 122.6(3) . .
C29 N4 C33 115.0(3) . .
C37 N5 C42 123.0(3) . .
C37 N5 C38 122.5(3) . .
C42 N5 C38 114.4(3) . .
C46 N6 C51 122.3(3) . .
C46 N6 C47 122.3(3) . .
C51 N6 C47 115.4(3) . .
F3 P1 F3 180.0 . 2_755
F3 P1 F1 91.7(3) . 2_755
F3 P1 F1 88.3(3) 2_755 2_755
F3 P1 F1 88.3(3) . .
F3 P1 F1 91.7(3) 2_755 .
F1 P1 F1 180.00(18) 2_755 .
F3 P1 F2 90.3(2) . 2_755
F3 P1 F2 89.7(2) 2_755 2_755
F1 P1 F2 90.32(16) 2_755 2_755
F1 P1 F2 89.68(16) . 2_755
F3 P1 F2 89.7(2) . .
F3 P1 F2 90.3(2) 2_755 .
F1 P1 F2 89.68(16) 2_755 .
F1 P1 F2 90.32(16) . .
F2 P1 F2 180.0 2_755 .
C1 S1 Cu8 112.91(12) . .
C1 S1 Cu4 98.27(12) . .
Cu8 S1 Cu4 69.44(3) . .
C1 S2 Cu7 111.61(12) . .
C1 S2 Cu3 99.63(12) . .
Cu7 S2 Cu3 66.20(3) . .
C10 S3 Cu11 109.49(10) . .
C10 S3 Cu12 106.87(11) . .
Cu11 S3 Cu12 66.61(3) . .
C10 S4 Cu9 107.00(11) . .
C10 S4 Cu8 109.05(11) . .
Cu9 S4 Cu8 70.61(3) . .
C19 S5 Cu10 114.97(11) . .
C19 S5 Cu11 89.89(11) . .
Cu10 S5 Cu11 67.06(3) . .
C19 S6 Cu6 110.48(12) . .
C19 S6 Cu7 96.94(11) . .
Cu6 S6 Cu7 66.83(3) . .
C28 S7 Cu2 111.26(13) . .
C28 S7 Cu6 97.93(12) . .
Cu2 S7 Cu6 73.18(4) . .
C28 S8 Cu5' 96.26(14) 2_676 .
C28 S8 Cu9 114.29(13) 2_676 .
Cu5' S8 Cu9 73.36(8) . .
C28 S8 Cu5 92.81(12) 2_676 .
Cu9 S8 Cu5 64.94(4) . .
C37 S9 Cu1 112.93(12) . 2_676
C37 S9 Cu10 99.73(11) . .
Cu1 S9 Cu10 68.09(3) 2_676 .
C37 S10 Cu5' 103.66(14) 2_676 .
C37 S10 Cu4 111.77(12) 2_676 .
Cu5' S10 Cu4 72.21(8) . .
C37 S10 Cu5 97.98(11) 2_676 .
Cu4 S10 Cu5 62.64(4) . .
C46 S11 Cu12 113.09(11) . .
C46 S11 Cu1 98.08(11) . 2_676
Cu12 S11 Cu1 69.98(3) . 2_676
C46 S12 Cu2 114.82(12) 2_676 .
C46 S12 Cu3 96.45(11) 2_676 .
Cu2 S12 Cu3 68.77(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.332(5) .
C1 S1 1.732(4) .
C1 S2 1.733(4) .
C2 N1 1.476(5) .
C2 C3 1.527(7) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4' 1.41(2) .
C3 C4 1.638(19) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C5 1.503(10) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C4' C5' 1.521(9) .
C4' H4C 0.9900 .
C4' H4D 0.9900 .
C5' H5D 0.9800 .
C5' H5E 0.9800 .
C5' H5F 0.9800 .
C6 N1 1.464(5) .
C6 C7 1.525(6) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 C8 1.528(8) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C9 1.455(8) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 N2 1.328(4) .
C10 S3 1.733(3) .
C10 S4 1.741(3) .
C11 N2 1.473(4) .
C11 C12 1.516(5) .
C11 H9M 0.9900 .
C11 H11B 0.9900 .
C12 C13 1.517(5) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C14 1.519(6) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 N2 1.480(4) .
C15 C16 1.521(5) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C17 1.514(5) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 C18 1.523(6) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 N3 1.331(4) .
C19 S5 1.721(4) .
C19 S6 1.742(3) .
C20 N3 1.471(5) .
C20 C21 1.518(7) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C22 1.506(8) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.517(8) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 N3 1.477(4) .
C24 C25 1.514(6) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C26 1.529(6) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 C27 1.485(8) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 N4 1.332(5) .
C28 S8 1.731(4) 2_676
C28 S7 1.736(4) .
C29 N4 1.469(5) .
C29 C30 1.530(7) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 C31 1.522(8) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.550(17) .
C31 C32' 1.56(4) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C32' H32D 0.9800 .
C32' H32E 0.9800 .
C32' H32F 0.9800 .
C33 N4 1.476(5) .
C33 C34 1.522(5) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 C35 1.520(5) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 C36 1.511(6) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 N5 1.328(4) .
C37 S9 1.726(3) .
C37 S10 1.734(3) 2_676
C38 N5 1.478(5) .
C38 C39 1.517(6) .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
C39 C40 1.525(6) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 C41 1.488(7) .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C42 N5 1.476(5) .
C42 C43 1.502(6) .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C43 C44 1.531(7) .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C44 C45 1.493(8) .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
C46 N6 1.322(4) .
C46 S12 1.736(3) 2_676
C46 S11 1.741(3) .
C47 N6 1.494(5) .
C47 C48 1.524(8) .
C47 H47A 0.9900 .
C47 H47B 0.9900 .
C48 C49 1.528(8) .
C48 H48A 0.9900 .
C48 H48B 0.9900 .
C49 C50 1.439(9) .
C49 H49A 0.9900 .
C49 H49B 0.9900 .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50C 0.9800 .
C51 N6 1.481(4) .
C51 C52 1.514(6) .
C51 H51A 0.9900 .
C51 H51B 0.9900 .
C52 C53 1.518(6) .
C52 H52A 0.9900 .
C52 H52B 0.9900 .
C53 C54 1.507(7) .
C53 H53A 0.9900 .
C53 H53B 0.9900 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
Cu1 Cu18 2.277(3) 2_676
Cu1 S9 2.3129(10) 2_676
Cu1 S11 2.3919(9) 2_676
Cu1 Cu15 2.4031(15) 2_676
Cu1 Cu4 2.5743(6) .
Cu1 Cu10 2.6254(7) 2_676
Cu1 Cu12 2.6794(6) 2_676
Cu1 Cu3 2.7055(6) .
Cu1 H1M 1.67(4) .
Cu2 S12 2.2902(10) .
Cu2 S7 2.2986(11) .
Cu2 Cu14 2.5628(18) 2_676
Cu2 Cu9 2.6357(7) 2_676
Cu2 Cu3 2.6392(6) .
Cu2 Cu15 2.6737(16) 2_676
Cu2 Cu12 2.7104(7) 2_676
Cu2 Cu6 2.7682(6) .
Cu2 H3M 1.696(10) .
Cu3 S12 2.3810(9) .
Cu3 S2 2.4023(10) .
Cu3 Cu13 2.4560(10) .
Cu3 Cu7 2.5780(6) .
Cu3 Cu4 2.7200(6) .
Cu3 Cu15 2.7381(16) 2_676
Cu3 H1M 1.66(4) .
Cu3 H6M 1.80(5) .
Cu4 S10 2.3476(10) .
Cu4 S1 2.3555(10) .
Cu4 Cu5 2.4935(14) .
Cu4 Cu13 2.5072(10) .
Cu4 Cu18 2.658(3) 2_676
Cu4 Cu8 2.6636(6) .
Cu4 Cu5' 2.666(3) .
Cu4 H1M 1.72(4) .
Cu4 H5M 1.83(4) .
Cu5 Cu14 2.048(2) .
Cu5 S10 2.4466(15) .
Cu5 Cu18 2.491(3) 2_676
Cu5 S8 2.5050(16) .
Cu5 Cu9 2.5932(13) .
Cu5 Cu10 2.6182(12) 2_676
Cu5 Cu6 2.9617(13) 2_676
Cu5 H5M 1.83(4) .
Cu5' S8 2.107(3) .
Cu5' S10 2.171(3) .
Cu5' Cu14 2.583(3) .
Cu5' Cu9 2.648(3) .
Cu5' Cu10 3.041(3) 2_676
Cu5' H5M 2.09(4) .
Cu6 S6 2.3106(10) .
Cu6 S7 2.3447(11) .
Cu6 Cu14 2.3684(17) 2_676
Cu6 Cu7 2.5856(6) .
Cu6 Cu16 2.5905(16) .
Cu6 Cu10 2.6125(7) .
Cu6 Cu5 2.9617(13) 2_676
Cu6 H4M 1.61(4) .
Cu6 H6M 1.96(5) .
Cu7 S2 2.3168(10) .
Cu7 S6 2.3831(9) .
Cu7 Cu13 2.4983(10) .
Cu7 Cu8 2.5882(6) .
Cu7 Cu11 2.6734(6) .
Cu7 Cu16 2.6851(15) .
Cu7 H2M 1.66(4) .
Cu7 H6M 1.900(10) .
Cu8 S1 2.3208(10) .
Cu8 S4 2.3289(9) .
Cu8 Cu13 2.4662(9) .
Cu8 Cu11 2.6681(6) .
Cu8 Cu9 2.6807(7) .
Cu8 Cu17 2.759(3) .
Cu8 H2M 1.65(4) .
Cu8 H5M 1.79(4) .
Cu9 S4 2.3093(9) .
Cu9 S8 2.3164(12) .
Cu9 Cu14 2.4805(14) .
Cu9 Cu17 2.579(3) .
Cu9 Cu2 2.6357(7) 2_676
Cu9 Cu12 2.7037(7) .
Cu9 H5M 2.03(4) .
Cu10 S5 2.2773(10) .
Cu10 S9 2.3759(10) .
Cu10 Cu18 2.384(3) .
Cu10 Cu16 2.3962(15) .
Cu10 Cu5 2.6182(12) 2_676
Cu10 Cu1 2.6254(7) 2_676
Cu10 Cu11 2.6341(6) .
Cu10 Cu14 2.8495(13) 2_676
Cu10 Cu5' 3.041(3) 2_676
Cu10 H4M 1.67(4) .
Cu10 H7M 1.90(5) .
Cu11 S3 2.3299(9) .
Cu11 Cu17 2.340(3) .
Cu11 Cu16 2.3640(15) .
Cu11 S5 2.4811(10) .
Cu11 Cu12 2.5759(6) .
Cu11 Cu15 3.0034(16) .
Cu11 H2M 1.70(4) .
Cu11 H7M 1.87(5) .
Cu12 S11 2.2774(9) .
Cu12 S3 2.3608(9) .
Cu12 Cu15 2.3718(14) .
Cu12 Cu17 2.472(3) .
Cu12 Cu1 2.6794(6) 2_676
Cu12 Cu2 2.7103(7) 2_676
Cu12 H7M 1.99(5) .
Cu13 Cu16 1.6590(17) .
Cu13 Cu18 1.667(3) 2_676
Cu13 Cu17 1.697(3) .
Cu13 Cu15 1.8553(16) 2_676
Cu13 Cu14 2.3758(19) .
Cu13 Cu14 2.5053(18) 2_676
Cu13 Cu15 2.5688(16) .
Cu13 Cu17 2.629(3) 2_676
Cu13 H5M 1.95(4) .
Cu13 H6M 1.89(5) .
Cu13 H8M 1.6153(8) .
Cu14 Cu16 1.578(2) 2_676
Cu14 Cu18 1.659(3) 2_676
Cu14 Cu17 1.926(3) .
Cu14 Cu15 2.013(2) .
Cu14 Cu6 2.3685(17) 2_676
Cu14 Cu13 2.5053(18) 2_676
Cu14 Cu2 2.5627(18) 2_676
Cu14 Cu15 2.7334(19) 2_676
Cu14 H8M 1.8306(11) .
Cu15 Cu17 1.117(3) .
Cu15 Cu18 1.327(3) .
Cu15 Cu16 1.852(2) .
Cu15 Cu13 1.8553(16) 2_676
Cu15 Cu1 2.4031(15) 2_676
Cu15 Cu16 2.4525(18) 2_676
Cu15 Cu2 2.6737(16) 2_676
Cu15 Cu14 2.7333(19) 2_676
Cu15 Cu3 2.7381(15) 2_676
Cu15 H7M 1.68(5) .
Cu15 H8M 1.5528(13) .
Cu16 Cu18 1.385(3) .
Cu16 Cu17 1.422(3) .
Cu16 Cu14 1.578(2) 2_676
Cu16 Cu15 2.4525(18) 2_676
Cu16 Cu13 2.6628(16) 2_676
Cu16 Cu17 2.678(3) 2_676
Cu16 H6M 2.03(5) .
Cu16 H7M 1.85(5) .
Cu16 H8M 1.5205(13) .
Cu17 Cu18 1.854(4) .
Cu17 Cu18 2.453(3) 2_676
Cu17 Cu13 2.629(3) 2_676
Cu17 Cu16 2.678(3) 2_676
Cu17 Cu14 2.750(3) 2_676
Cu17 H7M 1.81(5) .
Cu17 H8M 1.512(2) .
Cu18 Cu14 1.659(3) 2_676
Cu18 Cu13 1.667(3) 2_676
Cu18 Cu1 2.277(3) 2_676
Cu18 Cu17 2.453(3) 2_676
Cu18 Cu5 2.491(3) 2_676
Cu18 Cu4 2.658(3) 2_676
Cu18 Cu16 2.755(3) 2_676
Cu18 H7M 1.71(5) .
Cu18 H8M 1.562(2) .
F1 P1 1.559(3) .
F2 P1 1.588(3) .
F3 P1 1.552(4) .
P1 F3 1.552(4) 2_755
P1 F1 1.559(3) 2_755
P1 F2 1.588(3) 2_755
S8 C28 1.731(4) 2_676
S9 Cu1 2.3128(10) 2_676
S10 C37 1.734(3) 2_676
S11 Cu1 2.3920(9) 2_676
S12 C46 1.736(3) 2_676
