#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:51:08 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179493 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/90/4339065.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_4339065
loop_
_publ_author_name
'Dong, Bao-xia'
'Peng, Jun'
'Gómez-García, Carlos J'
'Benmansour, Samia'
'Jia, Heng-qing'
'Hu, Ning-hai'
_publ_section_title
;
 High-dimensional assembly depending on polyoxoanion templates, metal ion
 coordination geometries, and a flexible bis(imidazole) ligand.
;
_journal_issue                   15
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5933
_journal_page_last               5941
_journal_paper_doi               10.1021/ic070007i
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C60 H84 Cl Cu6 N24 O38 V16'
_chemical_formula_weight         2981.24
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.41(3)
_cell_angle_beta                 105.26(3)
_cell_angle_gamma                114.04(3)
_cell_formula_units_Z            2
_cell_length_a                   14.164(3)
_cell_length_b                   16.024(3)
_cell_length_c                   24.529(5)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      3.04
_cell_volume                     4850(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        PROCESS-AUTO
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Rigaku RAXIS RAPID IP'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0330
_diffrn_reflns_av_sigmaI/netI    0.0451
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            36611
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.04
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    2.862
_exptl_absorpt_correction_T_max  0.533
_exptl_absorpt_correction_T_min  0.398
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Sheldrick, 1996)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.042
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2950
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         2.261
_refine_diff_density_min         -1.003
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1301
_refine_ls_number_reflns         16696
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0658
_refine_ls_R_factor_gt           0.0475
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0850P)²+9.8053P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1351
_refine_ls_wR_factor_ref         0.1506
_reflns_number_gt                13095
_reflns_number_total             16696
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic070007i-file002.cif
_cod_data_source_block           compound5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        4849.7(17)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4339065
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
V1 V 0.90054(7) 0.85084(6) 0.31629(3) 0.02155(19) Uani 1 1 d .
V2 V 1.12686(9) 0.82387(8) 0.40482(4) 0.0384(3) Uani 1 1 d .
V3 V 0.99083(9) 0.60837(7) 0.11706(4) 0.0339(2) Uani 1 1 d .
V4 V 1.12018(8) 0.59871(6) 0.23319(4) 0.0279(2) Uani 1 1 d .
V5 V 0.76648(8) 0.62659(7) 0.12101(4) 0.0353(2) Uani 1 1 d .
V6 V 1.18311(8) 0.99792(7) 0.33106(4) 0.0342(2) Uani 1 1 d .
V7 V 1.13735(8) 0.65670(7) 0.34772(4) 0.0296(2) Uani 1 1 d .
V8 V 0.90073(8) 0.67255(6) 0.35057(4) 0.0274(2) Uani 1 1 d .
V9 V 0.74806(7) 0.62152(6) 0.23592(4) 0.0248(2) Uani 1 1 d .
V10 V 1.28519(7) 0.82802(6) 0.31332(4) 0.0268(2) Uani 1 1 d .
V11 V 0.88876(8) 0.52577(6) 0.23276(4) 0.0274(2) Uani 1 1 d .
V12 V 1.18558(7) 0.78932(6) 0.15892(4) 0.0260(2) Uani 1 1 d .
V13 V 1.24111(7) 0.95381(6) 0.23282(4) 0.0270(2) Uani 1 1 d .
V14 V 0.99400(7) 0.83289(6) 0.11393(4) 0.0252(2) Uani 1 1 d .
V15 V 0.99988(7) 0.96855(6) 0.23559(4) 0.0244(2) Uani 1 1 d .
V16 V 0.81198(7) 0.81231(6) 0.16187(3) 0.02317(19) Uani 1 1 d .
Cu1 Cu 0.86757(9) 0.30122(7) 0.26708(4) 0.0621(3) Uani 1 1 d .
Cu2 Cu 0.45642(9) 0.42463(8) 0.03569(5) 0.0703(3) Uani 1 1 d .
Cu3 Cu 0.86775(9) 1.05922(8) 0.35198(5) 0.0713(3) Uani 1 1 d .
Cu4 Cu 1.31653(7) 0.57465(6) 0.45536(3) 0.0455(2) Uani 1 1 d .
Cu5 Cu 1.00335(8) 0.92420(6) -0.02448(3) 0.0505(2) Uani 1 1 d .
Cu6 Cu 0.57234(9) 0.47565(7) 0.31080(5) 0.0646(3) Uani 1 1 d .
Cl1 Cl 1.01536(12) 0.75746(11) 0.24309(6) 0.0393(3) Uani 1 1 d .
C1 C 0.9354(6) 0.3217(5) 0.1681(3) 0.0517(18) Uani 1 1 d .
H1A H 0.9542 0.3847 0.1741 0.062 Uiso 1 1 calc R
C2 C 0.8762(7) 0.1803(5) 0.1784(3) 0.0567(19) Uani 1 1 d .
H2A H 0.8464 0.1258 0.1931 0.068 Uiso 1 1 calc R
C3 C 0.9108(7) 0.1885(5) 0.1311(3) 0.0541(19) Uani 1 1 d .
H3A H 0.9086 0.1412 0.1072 0.065 Uiso 1 1 calc R
C4 C 0.9905(7) 0.3223(6) 0.0798(4) 0.066(2) Uani 1 1 d .
H4A H 1.0576 0.3178 0.0822 0.079 Uiso 1 1 calc R
H4B H 1.0061 0.3873 0.0846 0.079 Uiso 1 1 calc R
C5 C 0.9117(9) 0.2769(8) 0.0225(4) 0.081(3) Uani 1 1 d .
H5A H 0.9118 0.2176 0.0138 0.097 Uiso 1 1 calc R
H5B H 0.9361 0.3145 -0.0057 0.097 Uiso 1 1 calc R
C6 C 0.7953(10) 0.2614(7) 0.0168(4) 0.090(3) Uani 1 1 d D
H6A H 0.7467 0.2194 -0.0181 0.108 Uiso 1 1 calc R
H6B H 0.7740 0.2334 0.0488 0.108 Uiso 1 1 calc R
C7 C 0.7865(8) 0.3488(6) 0.0154(6) 0.107(4) Uani 1 1 d D
H7A H 0.8071 0.3765 -0.0168 0.128 Uiso 1 1 calc R
H7B H 0.8354 0.3909 0.0501 0.128 Uiso 1 1 calc R
C8 C 0.5808(9) 0.2726(7) -0.0303(4) 0.088(3) Uani 1 1 d .
H8A H 0.5766 0.2255 -0.0550 0.105 Uiso 1 1 calc R
C9 C 0.4983(8) 0.2931(6) -0.0282(4) 0.075(3) Uani 1 1 d .
H9A H 0.4282 0.2641 -0.0530 0.090 Uiso 1 1 calc R
C10 C 0.6355(8) 0.3831(6) 0.0377(4) 0.077(3) Uani 1 1 d .
H10A H 0.6804 0.4279 0.0694 0.093 Uiso 1 1 calc R
C11 C 0.8542(7) 0.3958(5) 0.3629(3) 0.060(2) Uani 1 1 d .
H11A H 0.8651 0.4491 0.3462 0.072 Uiso 1 1 calc R
C12 C 0.8341(10) 0.2597(6) 0.3780(4) 0.085(3) Uani 1 1 d .
H12A H 0.8276 0.1997 0.3728 0.102 Uiso 1 1 calc R
C13 C 0.8279(10) 0.2994(6) 0.4237(4) 0.081(3) Uani 1 1 d .
H13A H 0.8178 0.2732 0.4563 0.098 Uiso 1 1 calc R
C14 C 0.8501(8) 0.4573(6) 0.4559(3) 0.069(3) Uani 1 1 d D
H14A H 0.7889 0.4336 0.4711 0.083 Uiso 1 1 calc R
H14B H 0.8478 0.5092 0.4370 0.083 Uiso 1 1 calc R
C15 C 0.9515(10) 0.4902(12) 0.5039(6) 0.147(6) Uani 1 1 d D
H15B H 0.9583 0.5456 0.5247 0.220 Uiso 1 1 calc R
H15C H 0.9405 0.4439 0.5293 0.220 Uiso 1 1 calc R
C16 C 0.4331(6) 0.5217(6) 0.1242(3) 0.0560(19) Uani 1 1 d .
H16A H 0.5043 0.5360 0.1450 0.067 Uiso 1 1 calc R
C17 C 0.2830(7) 0.4715(7) 0.0573(4) 0.076(3) Uani 1 1 d .
H17A H 0.2302 0.4438 0.0224 0.092 Uiso 1 1 calc R
C18 C 0.2718(7) 0.5149(7) 0.1011(4) 0.072(3) Uani 1 1 d .
H18A H 0.2102 0.5218 0.1022 0.087 Uiso 1 1 calc R
C19 C 0.3975(7) 0.6019(6) 0.1991(4) 0.066(2) Uani 1 1 d .
H19A H 0.4616 0.5991 0.2239 0.079 Uiso 1 1 calc R
H19B H 0.3393 0.5731 0.2160 0.079 Uiso 1 1 calc R
C20 C 0.4198(8) 0.7035(9) 0.1988(5) 0.104(4) Uani 1 1 d D
H20A H 0.3590 0.7080 0.1717 0.125 Uiso 1 1 calc R
H20B H 0.4271 0.7305 0.2364 0.125 Uiso 1 1 calc R
C21 C 0.5191(8) 0.7555(8) 0.1833(6) 0.101(4) Uani 1 1 d D
H21A H 0.5157 0.7236 0.1482 0.121 Uiso 1 1 calc R
H21B H 0.5810 0.7578 0.2132 0.121 Uiso 1 1 calc R
C22 C 0.5346(7) 0.8545(6) 0.1751(4) 0.074(3) Uani 1 1 d .
H22A H 0.5726 0.8733 0.1467 0.088 Uiso 1 1 calc R
H22B H 0.4635 0.8532 0.1594 0.088 Uiso 1 1 calc R
C23 C 0.5544(8) 0.9650(7) 0.2573(4) 0.075(3) Uani 1 1 d .
H23A H 0.4824 0.9545 0.2503 0.090 Uiso 1 1 calc R
C24 C 0.6374(9) 1.0223(8) 0.3006(4) 0.080(3) Uani 1 1 d .
H24A H 0.6327 1.0581 0.3293 0.097 Uiso 1 1 calc R
C25 C 0.7001(6) 0.9604(5) 0.2502(3) 0.0516(17) Uani 1 1 d .
H25A H 0.7460 0.9441 0.2360 0.062 Uiso 1 1 calc R
C26 C 1.0525(7) 1.0631(6) 0.4349(3) 0.068(2) Uani 1 1 d .
H26A H 1.0539 1.0160 0.4126 0.081 Uiso 1 1 calc R
C27 C 1.0157(9) 1.1705(9) 0.4622(5) 0.111(5) Uani 1 1 d .
H27A H 0.9839 1.2112 0.4618 0.134 Uiso 1 1 calc R
C28 C 1.0890(9) 1.1674(9) 0.5050(5) 0.114(5) Uani 1 1 d .
H28A H 1.1202 1.2056 0.5402 0.137 Uiso 1 1 calc R
C29 C 1.1909(7) 1.0655(9) 0.5224(4) 0.114(5) Uani 1 1 d D
H29A H 1.1747 1.0033 0.5067 0.137 Uiso 1 1 calc R
H29B H 1.1873 1.0652 0.5613 0.137 Uiso 1 1 calc R
C30 C 1.3024(8) 1.1312(13) 0.5218(5) 0.225(12) Uani 1 1 d D
H30A H 1.3192 1.1030 0.4924 0.270 Uiso 1 1 calc R
H30B H 1.2970 1.1862 0.5088 0.270 Uiso 1 1 calc R
C31 C 1.3980(11) 1.1628(12) 0.5729(6) 0.149(6) Uiso 1 1 d D
H31A H 1.4170 1.1115 0.5796 0.178 Uiso 1 1 calc RD
H31B H 1.4576 1.2109 0.5635 0.178 Uiso 1 1 calc RD
C32 C 1.2026(6) 0.4123(5) 0.3716(3) 0.0463(16) Uani 1 1 d .
H32A H 1.1674 0.4410 0.3470 0.056 Uiso 1 1 calc R
C33 C 1.2567(7) 0.3119(6) 0.4047(4) 0.069(2) Uani 1 1 d .
H33A H 1.2659 0.2578 0.4080 0.083 Uiso 1 1 calc R
C34 C 1.3017(8) 0.3840(6) 0.4437(3) 0.069(2) Uani 1 1 d .
H34A H 1.3497 0.3908 0.4795 0.082 Uiso 1 1 calc R
C35 C 1.1321(7) 0.2684(6) 0.3037(4) 0.071(2) Uani 1 1 d .
H35B H 1.0570 0.2581 0.2953 0.106 Uiso 1 1 calc R
H35C H 1.1345 0.2091 0.3071 0.106 Uiso 1 1 calc R
C36 C 1.3711(5) 0.7628(5) 0.4973(3) 0.0447(15) Uani 1 1 d .
H36A H 1.3148 0.7646 0.4682 0.054 Uiso 1 1 calc R
C37 C 1.4819(7) 0.7183(6) 0.5485(3) 0.060(2) Uani 1 1 d .
H37A H 1.5171 0.6818 0.5622 0.072 Uiso 1 1 calc R
C38 C 1.5102(6) 0.8035(6) 0.5721(3) 0.063(2) Uani 1 1 d .
H38A H 1.5677 0.8368 0.6045 0.075 Uiso 1 1 calc R
C39 C 1.4336(7) 0.9224(5) 0.5505(4) 0.062(2) Uani 1 1 d .
H39A H 1.4462 0.9374 0.5911 0.074 Uiso 1 1 calc R
H39B H 1.3616 0.9163 0.5306 0.074 Uiso 1 1 calc R
C40 C 1.5166(7) 1.0012(5) 0.5311(3) 0.066(2) Uani 1 1 d .
H40B H 1.5266 1.0597 0.5496 0.099 Uiso 1 1 calc R
H40C H 1.5856 0.9975 0.5428 0.099 Uiso 1 1 calc R
C41 C 1.2145(8) 1.0410(6) -0.0335(4) 0.068(2) Uani 1 1 d .
H41A H 1.1868 1.0617 -0.0663 0.082 Uiso 1 1 calc R
C42 C 1.3169(8) 1.0566(7) -0.0116(4) 0.077(3) Uani 1 1 d .
H42A H 1.3735 1.0894 -0.0262 0.092 Uiso 1 1 calc R
C43 C 1.2252(6) 0.9780(5) 0.0412(3) 0.0539(18) Uani 1 1 d .
H43A H 1.2070 0.9465 0.0709 0.065 Uiso 1 1 calc R
C44 C 1.4186(8) 1.0049(7) 0.0717(5) 0.089(3) Uani 1 1 d .
H44A H 1.4373 0.9677 0.0485 0.107 Uiso 1 1 calc R
H44B H 1.3996 0.9719 0.1026 0.107 Uiso 1 1 calc R
C45 C 1.5184(9) 1.0976(7) 0.0971(5) 0.096(3) Uani 1 1 d D
H45A H 1.5815 1.0868 0.1146 0.116 Uiso 1 1 calc R
H45B H 1.5331 1.1350 0.0672 0.116 Uiso 1 1 calc R
C46 C 1.4953(8) 1.1457(7) 0.1402(5) 0.090(3) Uani 1 1 d D
H46B H 1.4720 1.1053 0.1675 0.135 Uiso 1 1 calc R
H46C H 1.4379 1.1632 0.1219 0.135 Uiso 1 1 calc R
C47 C 0.8522(6) 0.8603(5) -0.1374(3) 0.0469(16) Uani 1 1 d .
H47A H 0.8978 0.9067 -0.1529 0.056 Uiso 1 1 calc R
C48 C 0.7854(8) 0.7794(6) -0.0785(4) 0.070(2) Uani 1 1 d .
H48A H 0.7751 0.7582 -0.0446 0.084 Uiso 1 1 calc R
C49 C 0.7163(8) 0.7394(7) -0.1307(4) 0.076(3) Uani 1 1 d .
H49A H 0.6514 0.6863 -0.1395 0.091 Uiso 1 1 calc R
C50 C 0.7162(7) 0.7758(6) -0.2306(3) 0.060(2) Uani 1 1 d .
H50A H 0.7592 0.8285 -0.2459 0.072 Uiso 1 1 calc R
H50B H 0.6428 0.7707 -0.2409 0.072 Uiso 1 1 calc R
C51 C 0.7147(7) 0.6896(6) -0.2576(4) 0.071(2) Uani 1 1 d .
H51A H 0.6726 0.6767 -0.2975 0.085 Uiso 1 1 calc R
H51B H 0.6777 0.6382 -0.2393 0.085 Uiso 1 1 calc R
C52 C 0.8269(8) 0.6937(6) -0.2539(3) 0.068(2) Uani 1 1 d .
H52B H 0.8788 0.7321 -0.2185 0.101 Uiso 1 1 calc R
H52C H 0.8231 0.6319 -0.2526 0.101 Uiso 1 1 calc R
C53 C 0.6069(6) 0.6553(6) 0.3526(3) 0.0554(19) Uani 1 1 d .
H53A H 0.6792 0.6796 0.3533 0.066 Uiso 1 1 calc R
C54 C 0.4522(6) 0.6466(6) 0.3562(4) 0.065(2) Uani 1 1 d .
H54A H 0.3977 0.6623 0.3601 0.078 Uiso 1 1 calc R
C55 C 0.4435(8) 0.5619(6) 0.3430(4) 0.080(3) Uani 1 1 d .
H55A H 0.3803 0.5076 0.3361 0.096 Uiso 1 1 calc R
C56 C 0.6066(7) 0.8053(6) 0.3785(4) 0.080(3) Uani 1 1 d .
H56B H 0.6822 0.8290 0.3799 0.119 Uiso 1 1 calc R
H56C H 0.5718 0.8305 0.3483 0.119 Uiso 1 1 calc R
C57 C 0.5953(6) 0.3558(5) 0.2332(4) 0.059(2) Uani 1 1 d .
H57A H 0.6069 0.3991 0.2082 0.071 Uiso 1 1 calc R
C58 C 0.5705(8) 0.2920(7) 0.3054(4) 0.082(3) Uani 1 1 d .
H58A H 0.5610 0.2813 0.3411 0.099 Uiso 1 1 calc R
C59 C 0.5733(8) 0.2320(6) 0.2676(5) 0.085(3) Uani 1 1 d .
H59A H 0.5657 0.1724 0.2723 0.102 Uiso 1 1 calc R
C60 C 0.6013(10) 0.2340(8) 0.1715(6) 0.112(4) Uani 1 1 d .
H60B H 0.6620 0.2179 0.1826 0.168 Uiso 1 1 calc R
H60C H 0.6162 0.2795 0.1458 0.168 Uiso 1 1 calc R
O1 O 0.8300(4) 0.4160(3) 0.23034(19) 0.0405(10) Uani 1 1 d .
O2 O 0.6495(3) 0.5774(3) 0.07421(18) 0.0473(11) Uani 1 1 d .
O3 O 0.8415(3) 0.8927(3) 0.34886(16) 0.0343(9) Uani 1 1 d .
O4 O 1.1963(4) 0.6087(3) 0.39299(17) 0.0421(10) Uani 1 1 d .
O5 O 0.9862(4) 0.8717(3) 0.05396(16) 0.0411(10) Uani 1 1 d .
O6 O 0.6265(3) 0.5588(3) 0.23676(17) 0.0362(9) Uani 1 1 d .
O7 O 1.2478(4) 1.1058(3) 0.35556(19) 0.0449(11) Uani 1 1 d .
O8 O 1.2654(3) 0.8088(3) 0.12058(17) 0.0357(9) Uani 1 1 d .
O9 O 1.0295(4) 0.6667(3) 0.37524(16) 0.0412(10) Uani 1 1 d .
O10 O 1.4099(4) 0.8568(3) 0.34425(18) 0.0449(11) Uani 1 1 d .
O11 O 0.8519(3) 0.5855(3) 0.09145(16) 0.0356(9) Uani 1 1 d .
O12 O 0.7225(3) 0.8441(3) 0.12740(16) 0.0343(9) Uani 1 1 d .
O13 O 0.9849(4) 1.0615(3) 0.23053(18) 0.0400(10) Uani 1 1 d .
O14 O 1.1839(3) 0.9412(3) 0.39853(16) 0.0376(9) Uani 1 1 d .
O15 O 0.8378(4) 0.6349(3) 0.39658(18) 0.0424(10) Uani 1 1 d .
O16 O 1.1656(4) 0.5234(3) 0.23103(19) 0.0410(10) Uani 1 1 d .
O17 O 1.0105(4) 0.5507(3) 0.07054(18) 0.0472(11) Uani 1 1 d .
O18 O 1.1502(3) 0.6686(3) 0.17513(15) 0.0311(9) Uani 1 1 d .
O19 O 1.3440(3) 1.0375(3) 0.22486(19) 0.0434(10) Uani 1 1 d .
O20 O 1.2713(3) 0.8443(2) 0.23302(15) 0.0272(8) Uani 1 1 d .
O21 O 1.1598(4) 0.8207(3) 0.47242(16) 0.0434(11) Uani 1 1 d .
O22 O 1.2114(3) 0.7893(3) 0.37176(15) 0.0319(9) Uani 1 1 d .
O23 O 1.0316(3) 0.9551(2) 0.31438(14) 0.0258(8) Uani 1 1 d .
O24 O 0.8465(3) 0.7477(2) 0.10962(14) 0.0275(8) Uani 1 1 d .
O25 O 0.9756(3) 0.5456(3) 0.18033(15) 0.0297(8) Uani 1 1 d .
O26 O 0.7386(3) 0.7000(2) 0.18195(14) 0.0264(8) Uani 1 1 d .
O27 O 1.0345(3) 0.5660(3) 0.28520(15) 0.0297(8) Uani 1 1 d .
O28 O 1.2668(3) 0.9426(3) 0.31214(15) 0.0305(8) Uani 1 1 d .
O29 O 0.7817(3) 0.5585(2) 0.18210(15) 0.0294(8) Uani 1 1 d .
O30 O 1.1442(3) 1.0009(2) 0.24399(15) 0.0273(8) Uani 1 1 d .
O31 O 1.0394(3) 0.7337(3) 0.10843(15) 0.0283(8) Uani 1 1 d .
O32 O 1.1472(3) 0.8915(3) 0.15904(15) 0.0285(8) Uani 1 1 d .
O33 O 0.8425(3) 0.5782(3) 0.28865(15) 0.0282(8) Uani 1 1 d .
O34 O 0.9836(3) 0.8038(3) 0.37394(14) 0.0283(8) Uani 1 1 d .
O35 O 1.2178(3) 0.6930(3) 0.29189(15) 0.0302(8) Uani 1 1 d .
O36 O 0.8115(3) 0.7194(2) 0.29788(14) 0.0249(8) Uani 1 1 d .
O37 O 0.8621(3) 0.8730(2) 0.23732(14) 0.0225(7) Uani 1 1 d .
O38 O 0.9531(3) 0.9057(2) 0.16137(14) 0.0262(8) Uani 1 1 d .
N1 N 0.8927(5) 0.2651(4) 0.2004(2) 0.0515(15) Uani 1 1 d .
N2 N 0.9496(5) 0.2805(4) 0.1257(2) 0.0463(13) Uani 1 1 d .
N3 N 0.5330(5) 0.3629(4) 0.0158(2) 0.0541(15) Uani 1 1 d .
N4 N 0.6704(6) 0.3329(5) 0.0101(4) 0.082(2) Uani 1 1 d D
N5 N 0.8516(7) 0.3207(5) 0.3388(3) 0.069(2) Uani 1 1 d .
N6 N 0.8393(6) 0.3861(4) 0.4144(3) 0.0620(18) Uani 1 1 d .
N7 N 0.3860(5) 0.4745(5) 0.0726(3) 0.0620(17) Uani 1 1 d .
N8 N 0.3680(5) 0.5469(5) 0.1434(3) 0.0573(16) Uani 1 1 d .
N9 N 0.7339(5) 1.0200(4) 0.2962(3) 0.0538(15) Uani 1 1 d .
N10 N 0.5929(5) 0.9251(4) 0.2255(3) 0.0529(15) Uani 1 1 d .
N11 N 0.9906(6) 1.1044(6) 0.4165(3) 0.079(2) Uani 1 1 d .
N12 N 1.1130(6) 1.0949(6) 0.4884(3) 0.082(3) Uani 1 1 d .
N13 N 1.2659(5) 0.4500(4) 0.4231(2) 0.0456(13) Uani 1 1 d .
N14 N 1.1940(5) 0.3290(4) 0.3582(3) 0.0489(14) Uani 1 1 d .
N15 N 1.3941(4) 0.6917(4) 0.5014(2) 0.0414(12) Uani 1 1 d .
N16 N 1.4381(5) 0.8331(4) 0.5396(2) 0.0478(14) Uani 1 1 d .
N17 N 0.8729(5) 0.8554(4) -0.0819(2) 0.0480(14) Uani 1 1 d .
N18 N 0.7603(5) 0.7925(4) -0.1684(2) 0.0482(14) Uani 1 1 d .
N19 N 1.1562(5) 0.9901(4) -0.0005(2) 0.0496(14) Uani 1 1 d .
N20 N 1.3244(5) 1.0155(5) 0.0367(3) 0.0627(17) Uani 1 1 d .
N21 N 0.5418(6) 0.5668(5) 0.3412(3) 0.0605(17) Uani 1 1 d .
N22 N 0.5580(4) 0.7057(4) 0.3627(2) 0.0455(13) Uani 1 1 d .
N23 N 0.5838(5) 0.3712(4) 0.2828(3) 0.0575(16) Uani 1 1 d .
N24 N 0.5890(6) 0.2730(5) 0.2220(3) 0.069(2) Uani 1 1 d .
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 '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'
Cl Cl 0.1484 0.1585 '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
O3 V1 O36 106.49(19) . .
O3 V1 O23 105.67(19) . .
O36 V1 O23 147.82(15) . .
O3 V1 O37 106.14(18) . .
O36 V1 O37 94.20(15) . .
O23 V1 O37 77.89(15) . .
O3 V1 O34 106.30(18) . .
O36 V1 O34 78.35(16) . .
O23 V1 O34 91.65(16) . .
O37 V1 O34 147.51(15) . .
O3 V1 V15 114.28(15) . .
O36 V1 V15 124.28(11) . .
O23 V1 V15 38.49(10) . .
O37 V1 V15 39.68(10) . .
O34 V1 V15 121.33(12) . .
O3 V1 V8 114.50(15) . .
O36 V1 V8 39.52(11) . .
O23 V1 V8 122.19(12) . .
O37 V1 V8 124.33(11) . .
O34 V1 V8 39.04(12) . .
V15 V1 V8 131.16(4) . .
O21 V2 O14 105.0(2) . .
O21 V2 O22 110.3(2) . .
O14 V2 O22 97.60(19) . .
O21 V2 O34 113.2(2) . .
O14 V2 O34 96.28(18) . .
O22 V2 O34 128.73(17) . .
O21 V2 O9 97.4(2) . .
O14 V2 O9 157.67(17) . .
O22 V2 O9 74.75(16) . .
O34 V2 O9 73.98(16) . .
O21 V2 V8 108.24(19) . .
O14 V2 V8 131.15(14) . .
O22 V2 V8 103.23(13) . .
O34 V2 V8 37.50(12) . .
O9 V2 V8 36.49(11) . .
O21 V2 V7 106.39(17) . .
O14 V2 V7 131.83(14) . .
O22 V2 V7 36.95(13) . .
O34 V2 V7 103.74(13) . .
O9 V2 V7 37.83(10) . .
V8 V2 V7 69.63(5) . .
O17 V3 O11 105.5(2) . .
O17 V3 O31 111.8(2) . .
O11 V3 O31 93.62(18) . .
O17 V3 O25 110.2(2) . .
O11 V3 O25 94.36(18) . .
O31 V3 O25 133.09(16) . .
O17 V3 O18 98.7(2) . .
O11 V3 O18 155.70(17) . .
O31 V3 O18 77.32(16) . .
O25 V3 O18 76.71(16) . .
O17 V3 V12 108.51(18) . .
O11 V3 V12 129.28(14) . .
O31 V3 V12 38.82(12) . .
O25 V3 V12 107.46(13) . .
O18 V3 V12 38.53(10) . .
O17 V3 V4 108.09(19) . .
O11 V3 V4 129.49(13) . .
O31 V3 V4 107.19(12) . .
O25 V3 V4 38.68(12) . .
O18 V3 V4 38.03(10) . .
V12 V3 V4 71.94(5) . .
O16 V4 O35 108.0(2) . .
O16 V4 O18 107.3(2) . .
O35 V4 O18 94.88(17) . .
O16 V4 O27 106.54(19) . .
O35 V4 O27 83.91(17) . .
O18 V4 O27 144.68(17) . .
O16 V4 O25 106.2(2) . .
O35 V4 O25 144.90(17) . .
O18 V4 O25 82.20(17) . .
O27 V4 O25 79.11(16) . .
O16 V4 V7 111.02(17) . .
O35 V4 V7 42.89(12) . .
O18 V4 V7 129.69(12) . .
O27 V4 V7 41.14(12) . .
O25 V4 V7 115.66(12) . .
O16 V4 V11 115.52(17) . .
O35 V4 V11 115.11(13) . .
O18 V4 V11 113.85(14) . .
O27 V4 V11 39.75(12) . .
O25 V4 V11 39.72(11) . .
V7 V4 V11 76.81(5) . .
O16 V4 V3 111.99(17) . .
O35 V4 V3 129.55(12) . .
O18 V4 V3 44.65(13) . .
O27 V4 V3 111.80(12) . .
O25 V4 V3 37.55(11) . .
V7 V4 V3 134.82(4) . .
V11 V4 V3 72.89(5) . .
O2 V5 O11 103.3(2) . .
O2 V5 O24 112.3(2) . .
O11 V5 O24 90.32(17) . .
O2 V5 O29 112.6(2) . .
O11 V5 O29 89.08(17) . .
O24 V5 O29 133.95(17) . .
O2 V5 O26 102.5(2) . .
O11 V5 O26 154.16(16) . .
O24 V5 O26 80.51(15) . .
O29 V5 O26 80.40(15) . .
O2 V5 V16 110.55(18) . .
O11 V5 V16 128.24(13) . .
O24 V5 V16 41.07(11) . .
O29 V5 V16 111.34(12) . .
O26 V5 V16 39.56(10) . .
O2 V5 V9 111.11(18) . .
O11 V5 V9 126.63(13) . .
O24 V5 V9 111.47(12) . .
O29 V5 V9 40.57(11) . .
O26 V5 V9 39.92(10) . .
V16 V5 V9 75.09(5) . .
O7 V6 O28 115.0(2) . .
O7 V6 O23 112.7(2) . .
O28 V6 O23 131.28(17) . .
O7 V6 O14 103.1(2) . .
O28 V6 O14 89.95(17) . .
O23 V6 O14 88.62(17) . .
O7 V6 O30 101.2(2) . .
O28 V6 O30 80.73(15) . .
O23 V6 O30 81.01(15) . .
O14 V6 O30 155.64(17) . .
O7 V6 V15 109.32(17) . .
O28 V6 V15 110.98(12) . .
O23 V6 V15 41.21(11) . .
O14 V6 V15 127.59(14) . .
O30 V6 V15 39.99(11) . .
O7 V6 V13 111.08(18) . .
O28 V6 V13 40.44(11) . .
O23 V6 V13 111.43(11) . .
O14 V6 V13 128.00(13) . .
O30 V6 V13 40.46(10) . .
V15 V6 V13 75.74(4) . .
O4 V7 O9 106.7(2) . .
O4 V7 O27 109.0(2) . .
O9 V7 O27 92.91(19) . .
O4 V7 O22 108.3(2) . .
O9 V7 O22 83.66(19) . .
O27 V7 O22 141.96(16) . .
O4 V7 O35 107.2(2) . .
O9 V7 O35 145.50(17) . .
O27 V7 O35 81.87(16) . .
O22 V7 O35 80.09(16) . .
O4 V7 V4 111.80(16) . .
O9 V7 V4 127.80(13) . .
O27 V7 V4 42.04(11) . .
O22 V7 V4 114.62(12) . .
O35 V7 V4 39.95(12) . .
O4 V7 V10 115.69(18) . .
O9 V7 V10 116.37(15) . .
O27 V7 V10 113.73(12) . .
O22 V7 V10 39.94(11) . .
O35 V7 V10 40.25(11) . .
V4 V7 V10 76.21(5) . .
O4 V7 V2 112.55(16) . .
O9 V7 V2 48.66(15) . .
O27 V7 V2 129.59(12) . .
O22 V7 V2 35.02(12) . .
O35 V7 V2 110.87(12) . .
V4 V7 V2 133.11(5) . .
V10 V7 V2 71.64(4) . .
O15 V8 O9 107.3(2) . .
O15 V8 O33 107.8(2) . .
O9 V8 O33 95.28(19) . .
O15 V8 O34 106.6(2) . .
O9 V8 O34 85.4(2) . .
O33 V8 O34 143.70(15) . .
O15 V8 O36 104.70(19) . .
O9 V8 O36 147.17(17) . .
O33 V8 O36 81.47(16) . .
O34 V8 O36 78.87(16) . .
O15 V8 V9 110.30(18) . .
O9 V8 V9 129.42(13) . .
O33 V8 V9 41.52(12) . .
O34 V8 V9 113.92(11) . .
O36 V8 V9 39.99(11) . .
O15 V8 V1 113.61(16) . .
O9 V8 V1 118.02(16) . .
O33 V8 V1 113.03(12) . .
O34 V8 V1 39.98(11) . .
O36 V8 V1 39.10(11) . .
V9 V8 V1 75.08(5) . .
O15 V8 V2 112.27(18) . .
O9 V8 V2 49.44(16) . .
O33 V8 V2 132.66(12) . .
O34 V8 V2 35.94(12) . .
O36 V8 V2 110.79(12) . .
V9 V8 V2 133.91(5) . .
V1 V8 V2 72.44(4) . .
O6 V9 O26 106.80(19) . .
O6 V9 O36 107.25(19) . .
O26 V9 O36 92.68(16) . .
O6 V9 O29 108.6(2) . .
O26 V9 O29 86.09(16) . .
O36 V9 O29 142.86(17) . .
O6 V9 O33 106.73(19) . .
O26 V9 O33 146.31(16) . .
O36 V9 O33 80.46(16) . .
O29 V9 O33 80.33(16) . .
O6 V9 V5 112.38(16) . .
O26 V9 V5 46.04(11) . .
O36 V9 V5 128.91(11) . .
O29 V9 V5 40.14(11) . .
O33 V9 V5 115.81(11) . .
O6 V9 V8 111.21(15) . .
O26 V9 V8 126.78(12) . .
O36 V9 V8 41.30(11) . .
O29 V9 V8 114.20(12) . .
O33 V9 V8 39.19(11) . .
V5 V9 V8 135.17(4) . .
O6 V9 V11 117.28(15) . .
O26 V9 V11 117.32(12) . .
O36 V9 V11 112.48(12) . .
O29 V9 V11 39.91(12) . .
O33 V9 V11 40.73(11) . .
V5 V9 V11 76.02(4) . .
V8 V9 V11 75.34(4) . .
O10 V10 O28 106.4(2) . .
O10 V10 O22 106.1(2) . .
O28 V10 O22 92.50(16) . .
O10 V10 O20 106.8(2) . .
O28 V10 O20 79.26(15) . .
O22 V10 O20 147.04(16) . .
O10 V10 O35 106.1(2) . .
O28 V10 O35 147.51(17) . .
O22 V10 O35 79.40(16) . .
O20 V10 O35 90.55(16) . .
O10 V10 V13 114.64(18) . .
O28 V10 V13 38.85(11) . .
O22 V10 V13 122.41(12) . .
O20 V10 V13 40.59(11) . .
O35 V10 V13 122.48(12) . .
O10 V10 V7 113.34(18) . .
O28 V10 V7 123.55(12) . .
O22 V10 V7 39.46(12) . .
O20 V10 V7 122.30(12) . .
O35 V10 V7 40.04(11) . .
V13 V10 V7 132.01(5) . .
O1 V11 O25 105.51(19) . .
O1 V11 O29 105.7(2) . .
O25 V11 O29 93.78(16) . .
O1 V11 O27 106.0(2) . .
O25 V11 O27 77.98(16) . .
O29 V11 O27 148.36(16) . .
O1 V11 O33 105.58(19) . .
O25 V11 O33 148.88(16) . .
O29 V11 O33 79.05(15) . .
O27 V11 O33 92.29(16) . .
O1 V11 V9 114.23(16) . .
O25 V11 V9 123.68(12) . .
O29 V11 V9 38.91(11) . .
O27 V11 V9 123.46(12) . .
O33 V11 V9 40.44(11) . .
O1 V11 V4 114.43(16) . .
O25 V11 V4 39.24(12) . .
O29 V11 V4 123.63(12) . .
O27 V11 V4 39.08(11) . .
O33 V11 V4 122.64(12) . .
V9 V11 V4 131.34(4) . .
O8 V12 O20 106.81(19) . .
O8 V12 O18 107.17(19) . .
O20 V12 O18 94.35(17) . .
O8 V12 O32 106.80(19) . .
O20 V12 O32 84.21(16) . .
O18 V12 O32 144.88(17) . .
O8 V12 O31 107.73(19) . .
O20 V12 O31 144.63(16) . .
O18 V12 O31 82.66(17) . .
O32 V12 O31 78.81(16) . .
O8 V12 V13 110.56(16) . .
O20 V12 V13 43.09(12) . .
O18 V12 V13 129.38(12) . .
O32 V12 V13 41.23(11) . .
O31 V12 V13 115.28(12) . .
O8 V12 V3 112.32(16) . .
O20 V12 V3 129.80(12) . .
O18 V12 V3 45.02(13) . .
O32 V12 V3 112.05(12) . .
O31 V12 V3 37.67(11) . .
V13 V12 V3 135.19(5) . .
O8 V12 V14 115.99(16) . .
O20 V12 V14 115.56(12) . .
O18 V12 V14 114.57(13) . .
O32 V12 V14 39.57(12) . .
O31 V12 V14 39.49(11) . .
V13 V12 V14 76.85(5) . .
V3 V12 V14 73.35(4) . .
O19 V13 O30 107.9(2) . .
O19 V13 O32 107.8(2) . .
O30 V13 O32 91.49(16) . .
O19 V13 O28 108.7(2) . .
O30 V13 O28 84.78(16) . .
O32 V13 O28 142.63(17) . .
O19 V13 O20 106.9(2) . .
O30 V13 O20 144.95(16) . .
O32 V13 O20 81.88(16) . .
O28 V13 O20 80.28(16) . .
O19 V13 V12 111.01(17) . .
O30 V13 V12 126.18(12) . .
O32 V13 V12 41.88(12) . .
O28 V13 V12 115.06(12) . .
O20 V13 V12 40.10(11) . .
O19 V13 V6 112.06(18) . .
O30 V13 V6 45.30(11) . .
O32 V13 V6 127.93(12) . .
O28 V13 V6 39.66(12) . .
O20 V13 V6 115.49(11) . .
V12 V13 V6 135.80(5) . .
O19 V13 V10 116.55(17) . .
O30 V13 V10 116.46(12) . .
O32 V13 V10 113.71(12) . .
O28 V13 V10 40.00(11) . .
O20 V13 V10 40.45(10) . .
V12 V13 V10 76.38(4) . .
V6 V13 V10 76.10(4) . .
O5 V14 O24 105.9(2) . .
O5 V14 O31 106.77(19) . .
O24 V14 O31 93.29(16) . .
O5 V14 O32 106.7(2) . .
O24 V14 O32 147.47(15) . .
O31 V14 O32 77.18(16) . .
O5 V14 O38 106.31(19) . .
O24 V14 O38 77.50(15) . .
O31 V14 O38 146.92(15) . .
O32 V14 O38 93.56(16) . .
O5 V14 V16 114.51(17) . .
O24 V14 V16 38.14(11) . .
O31 V14 V16 122.01(11) . .
O32 V14 V16 123.61(11) . .
O38 V14 V16 39.66(11) . .
O5 V14 V12 114.90(17) . .
O24 V14 V12 123.04(12) . .
O31 V14 V12 38.73(11) . .
O32 V14 V12 38.68(11) . .
O38 V14 V12 122.95(11) . .
V16 V14 V12 130.58(4) . .
O13 V15 O30 106.0(2) . .
O13 V15 O38 107.17(19) . .
O30 V15 O38 93.82(17) . .
O13 V15 O23 107.2(2) . .
O30 V15 O23 86.71(16) . .
O38 V15 O23 144.03(16) . .
O13 V15 O37 106.7(2) . .
O30 V15 O37 146.90(16) . .
O38 V15 O37 81.31(15) . .
O23 V15 O37 79.01(15) . .
O13 V15 V6 109.81(16) . .
O30 V15 V6 46.11(12) . .
O38 V15 V6 131.31(12) . .
O23 V15 V6 40.81(11) . .
O37 V15 V6 115.96(11) . .
O13 V15 V16 111.19(16) . .
O30 V15 V16 128.20(12) . .
O38 V15 V16 41.61(11) . .
O23 V15 V16 114.00(12) . .
O37 V15 V16 39.74(10) . .
V6 V15 V16 137.42(5) . .
O13 V15 V1 115.90(17) . .
O30 V15 V1 117.94(12) . .
O38 V15 V1 113.40(12) . .
O23 V15 V1 39.35(11) . .
O37 V15 V1 39.95(10) . .
V6 V15 V1 76.75(4) . .
V16 V15 V1 75.58(4) . .
O12 V16 O26 106.68(19) . .
O12 V16 O37 106.22(19) . .
O26 V16 O37 92.66(15) . .
O12 V16 O24 109.62(19) . .
O26 V16 O24 86.91(16) . .
O37 V16 O24 142.68(16) . .
O12 V16 O38 107.31(18) . .
O26 V16 O38 145.87(17) . .
O37 V16 O38 80.80(15) . .
O24 V16 O38 78.99(16) . .
O12 V16 V5 112.84(16) . .
O26 V16 V5 46.69(11) . .
O37 V16 V5 129.52(11) . .
O24 V16 V5 40.36(11) . .
O38 V16 V5 114.84(12) . .
O12 V16 V15 110.92(15) . .
O26 V16 V15 126.61(12) . .
O37 V16 V15 41.32(11) . .
O24 V16 V15 113.37(12) . .
O38 V16 V15 39.51(10) . .
V5 V16 V15 135.01(5) . .
O12 V16 V14 118.05(15) . .
O26 V16 V14 117.36(12) . .
O37 V16 V14 112.53(11) . .
O24 V16 V14 39.14(11) . .
O38 V16 V14 40.16(11) . .
V5 V16 V14 75.58(5) . .
V15 V16 V14 75.24(4) . .
N5 Cu1 N1 169.3(3) . .
N5 Cu1 O1 97.3(2) . .
N1 Cu1 O1 93.4(2) . .
N3 Cu2 N7 165.8(3) . .
N3 Cu2 Cu2 91.20(19) . 2_665
N7 Cu2 Cu2 100.8(2) . 2_665
N9 Cu3 N11 169.9(3) . .
N15 Cu4 N13 164.9(2) . .
N15 Cu4 O4 97.0(2) . .
N13 Cu4 O4 98.1(2) . .
N17 Cu5 N19 150.4(2) . .
N17 Cu5 O5 107.5(2) . .
N19 Cu5 O5 97.5(2) . .
N17 Cu5 Cu5 109.94(19) . 2_775
N19 Cu5 Cu5 87.49(19) . 2_775
O5 Cu5 Cu5 84.80(13) . 2_775
N21 Cu6 N23 171.1(3) . .
N21 Cu6 O6 93.6(2) . .
N23 Cu6 O6 93.3(2) . .
N1 C1 N2 112.7(6) . .
N1 C1 H1A 123.7 . .
N2 C1 H1A 123.7 . .
N1 C2 C3 108.3(7) . .
N1 C2 H2A 125.9 . .
C3 C2 H2A 125.9 . .
C2 C3 N2 106.1(6) . .
C2 C3 H3A 127.0 . .
N2 C3 H3A 127.0 . .
N2 C4 C5 112.0(7) . .
N2 C4 H4A 109.2 . .
C5 C4 H4A 109.2 . .
N2 C4 H4B 109.2 . .
C5 C4 H4B 109.2 . .
H4A C4 H4B 107.9 . .
C4 C5 C6 114.8(7) . .
C4 C5 H5A 108.6 . .
C6 C5 H5A 108.6 . .
C4 C5 H5B 108.6 . .
C6 C5 H5B 108.6 . .
H5A C5 H5B 107.5 . .
C7 C6 C5 110.3(9) . .
C7 C6 H6A 109.6 . .
C5 C6 H6A 109.6 . .
C7 C6 H6B 109.6 . .
C5 C6 H6B 109.6 . .
H6A C6 H6B 108.1 . .
C6 C7 N4 110.1(9) . .
C6 C7 H7A 109.6 . .
N4 C7 H7A 109.6 . .
C6 C7 H7B 109.6 . .
N4 C7 H7B 109.6 . .
H7A C7 H7B 108.2 . .
N4 C8 C9 107.5(9) . .
N4 C8 H8A 126.3 . .
C9 C8 H8A 126.3 . .
C8 C9 N3 110.0(8) . .
C8 C9 H9A 125.0 . .
N3 C9 H9A 125.0 . .
N3 C10 N4 113.8(7) . .
N3 C10 H10A 123.1 . .
N4 C10 H10A 123.1 . .
N5 C11 N6 111.5(6) . .
N5 C11 H11A 124.2 . .
N6 C11 H11A 124.2 . .
C13 C12 N5 109.7(7) . .
C13 C12 H12A 125.2 . .
N5 C12 H12A 125.2 . .
C12 C13 N6 107.3(7) . .
C12 C13 H13A 126.3 . .
N6 C13 H13A 126.3 . .
N6 C14 C15 113.2(8) . .
N6 C14 H14A 108.9 . .
C15 C14 H14A 108.9 . .
N6 C14 H14B 108.9 . .
C15 C14 H14B 108.9 . .
H14A C14 H14B 107.8 . .
C15 C15 C14 122.8(15) 2_766 .
C15 C15 H15B 106.6 2_766 .
C14 C15 H15B 106.6 . .
C15 C15 H15C 106.6 2_766 .
C14 C15 H15C 106.6 . .
H15B C15 H15C 106.6 . .
N7 C16 N8 112.5(7) . .
N7 C16 H16A 123.7 . .
N8 C16 H16A 123.7 . .
C18 C17 N7 109.1(8) . .
C18 C17 H17A 125.4 . .
N7 C17 H17A 125.4 . .
C17 C18 N8 106.8(8) . .
C17 C18 H18A 126.6 . .
N8 C18 H18A 126.6 . .
N8 C19 C20 116.4(8) . .
N8 C19 H19A 108.2 . .
C20 C19 H19A 108.2 . .
N8 C19 H19B 108.2 . .
C20 C19 H19B 108.2 . .
H19A C19 H19B 107.3 . .
C21 C20 C19 111.3(9) . .
C21 C20 H20A 109.4 . .
C19 C20 H20A 109.4 . .
C21 C20 H20B 109.4 . .
C19 C20 H20B 109.4 . .
H20A C20 H20B 108.0 . .
C20 C21 C22 111.8(9) . .
C20 C21 H21A 109.3 . .
C22 C21 H21A 109.3 . .
C20 C21 H21B 109.3 . .
C22 C21 H21B 109.3 . .
H21A C21 H21B 107.9 . .
N10 C22 C21 117.2(8) . .
N10 C22 H22A 108.0 . .
C21 C22 H22A 108.0 . .
N10 C22 H22B 108.0 . .
C21 C22 H22B 108.0 . .
H22A C22 H22B 107.2 . .
C24 C23 N10 107.9(8) . .
C24 C23 H23A 126.0 . .
N10 C23 H23A 126.0 . .
C23 C24 N9 109.3(8) . .
C23 C24 H24A 125.4 . .
N9 C24 H24A 125.4 . .
N9 C25 N10 113.3(6) . .
N9 C25 H25A 123.4 . .
N10 C25 H25A 123.4 . .
N11 C26 N12 112.9(8) . .
N11 C26 H26A 123.6 . .
N12 C26 H26A 123.6 . .
C28 C27 N11 110.5(11) . .
C28 C27 H27A 124.8 . .
N11 C27 H27A 124.8 . .
C27 C28 N12 106.8(8) . .
C27 C28 H28A 126.6 . .
N12 C28 H28A 126.6 . .
N12 C29 C30 108.8(11) . .
N12 C29 H29A 109.9 . .
C30 C29 H29A 109.9 . .
N12 C29 H29B 109.9 . .
C30 C29 H29B 109.9 . .
H29A C29 H29B 108.3 . .
C31 C30 C29 122.7(11) . .
C31 C30 H30A 106.7 . .
C29 C30 H30A 106.7 . .
C31 C30 H30B 106.7 . .
C29 C30 H30B 106.7 . .
H30A C30 H30B 106.6 . .
C56 C31 C30 119.8(14) 2_776 .
C56 C31 H31A 107.4 2_776 .
C30 C31 H31A 107.4 . .
C56 C31 H31B 107.4 2_776 .
C30 C31 H31B 107.4 . .
H31A C31 H31B 106.9 . .
N13 C32 N14 112.4(6) . .
N13 C32 H32A 123.8 . .
N14 C32 H32A 123.8 . .
C34 C33 N14 108.3(7) . .
C34 C33 H33A 125.8 . .
N14 C33 H33A 125.8 . .
C33 C34 N13 108.7(7) . .
C33 C34 H34A 125.7 . .
N13 C34 H34A 125.7 . .
N14 C35 C52 113.7(7) . 2_765
N14 C35 H35B 108.8 . .
C52 C35 H35B 108.8 2_765 .
N14 C35 H35C 108.8 . .
C52 C35 H35C 108.8 2_765 .
H35B C35 H35C 107.7 . .
N15 C36 N16 112.3(6) . .
N15 C36 H36A 123.8 . .
N16 C36 H36A 123.8 . .
C38 C37 N15 110.6(7) . .
C38 C37 H37A 124.7 . .
N15 C37 H37A 124.7 . .
C37 C38 N16 106.8(7) . .
C37 C38 H38A 126.6 . .
N16 C38 H38A 126.6 . .
N16 C39 C40 112.7(6) . .
N16 C39 H39A 109.0 . .
C40 C39 H39A 109.0 . .
N16 C39 H39B 109.0 . .
C40 C39 H39B 109.0 . .
H39A C39 H39B 107.8 . .
C40 C40 C39 112.2(9) 2_876 .
C40 C40 H40B 109.2 2_876 .
C39 C40 H40B 109.2 . .
C40 C40 H40C 109.2 2_876 .
C39 C40 H40C 109.2 . .
H40B C40 H40C 107.9 . .
C42 C41 N19 109.1(7) . .
C42 C41 H41A 125.5 . .
N19 C41 H41A 125.5 . .
C41 C42 N20 107.4(7) . .
C41 C42 H42A 126.3 . .
N20 C42 H42A 126.3 . .
N19 C43 N20 112.4(6) . .
N19 C43 H43A 123.8 . .
N20 C43 H43A 123.8 . .
N20 C44 C45 113.4(9) . .
N20 C44 H44A 108.9 . .
C45 C44 H44A 108.9 . .
N20 C44 H44B 108.9 . .
C45 C44 H44B 108.9 . .
H44A C44 H44B 107.7 . .
C46 C45 C44 108.2(9) . .
C46 C45 H45A 110.1 . .
C44 C45 H45A 110.1 . .
C46 C45 H45B 110.1 . .
C44 C45 H45B 110.1 . .
H45A C45 H45B 108.4 . .
C45 C46 C60 108.4(8) . 1_665
C45 C46 H46B 110.0 . .
C60 C46 H46B 110.0 1_665 .
C45 C46 H46C 110.0 . .
C60 C46 H46C 110.0 1_665 .
H46B C46 H46C 108.4 . .
N18 C47 N17 113.0(6) . .
N18 C47 H47A 123.5 . .
N17 C47 H47A 123.5 . .
C49 C48 N17 110.7(7) . .
C49 C48 H48A 124.7 . .
N17 C48 H48A 124.7 . .
C48 C49 N18 106.2(8) . .
C48 C49 H49A 126.9 . .
N18 C49 H49A 126.9 . .
N18 C50 C51 113.2(7) . .
N18 C50 H50A 108.9 . .
C51 C50 H50A 108.9 . .
N18 C50 H50B 108.9 . .
C51 C50 H50B 108.9 . .
H50A C50 H50B 107.8 . .
C50 C51 C52 115.3(7) . .
C50 C51 H51A 108.5 . .
C52 C51 H51A 108.5 . .
C50 C51 H51B 108.5 . .
C52 C51 H51B 108.5 . .
H51A C51 H51B 107.5 . .
C35 C52 C51 113.6(7) 2_765 .
C35 C52 H52B 108.8 2_765 .
C51 C52 H52B 108.8 . .
C35 C52 H52C 108.8 2_765 .
C51 C52 H52C 108.8 . .
H52B C52 H52C 107.7 . .
N21 C53 N22 112.1(6) . .
N21 C53 H53A 123.9 . .
N22 C53 H53A 123.9 . .
C55 C54 N22 105.9(7) . .
C55 C54 H54A 127.0 . .
N22 C54 H54A 127.0 . .
C54 C55 N21 109.9(8) . .
C54 C55 H55A 125.0 . .
N21 C55 H55A 125.0 . .
C31 C56 N22 117.2(11) 2_776 .
C31 C56 H56B 108.0 2_776 .
N22 C56 H56B 108.0 . .
C31 C56 H56C 108.0 2_776 .
N22 C56 H56C 108.0 . .
H56B C56 H56C 107.2 . .
N23 C57 N24 113.1(8) . .
N23 C57 H57A 123.4 . .
N24 C57 H57A 123.4 . .
C59 C58 N23 108.5(9) . .
C59 C58 H58A 125.7 . .
N23 C58 H58A 125.7 . .
N24 C59 C58 107.8(8) . .
N24 C59 H59A 126.1 . .
C58 C59 H59A 126.1 . .
N24 C60 C46 110.1(9) . 1_445
N24 C60 H60B 109.6 . .
C46 C60 H60B 109.6 1_445 .
N24 C60 H60C 109.6 . .
C46 C60 H60C 109.6 1_445 .
H60B C60 H60C 108.2 . .
V11 O1 Cu1 139.2(3) . .
V7 O4 Cu4 165.0(3) . .
V14 O5 Cu5 169.9(3) . .
V9 O6 Cu6 127.3(2) . .
V8 O9 V7 141.2(2) . .
V8 O9 V2 94.07(19) . .
V7 O9 V2 93.51(19) . .
V3 O11 V5 132.0(2) . .
V2 O14 V6 129.0(2) . .
V4 O18 V12 140.6(2) . .
V4 O18 V3 97.32(17) . .
V12 O18 V3 96.45(17) . .
V12 O20 V10 142.6(2) . .
V12 O20 V13 96.81(17) . .
V10 O20 V13 98.96(16) . .
V2 O22 V7 108.0(2) . .
V2 O22 V10 137.5(2) . .
V7 O22 V10 100.60(17) . .
V6 O23 V15 97.98(17) . .
V6 O23 V1 143.4(2) . .
V15 O23 V1 102.15(17) . .
V5 O24 V16 98.57(17) . .
V5 O24 V14 140.7(2) . .
V16 O24 V14 102.73(17) . .
V3 O25 V4 103.77(18) . .
V3 O25 V11 136.6(2) . .
V4 O25 V11 101.04(17) . .
V16 O26 V9 144.0(2) . .
V16 O26 V5 93.75(15) . .
V9 O26 V5 94.04(16) . .
V7 O27 V4 96.82(17) . .
V7 O27 V11 142.2(2) . .
V4 O27 V11 101.17(17) . .
V6 O28 V13 99.91(18) . .
V6 O28 V10 142.2(2) . .
V13 O28 V10 101.15(17) . .
V5 O29 V9 99.29(17) . .
V5 O29 V11 140.9(2) . .
V9 O29 V11 101.18(17) . .
V15 O30 V13 142.9(2) . .
V15 O30 V6 93.90(16) . .
V13 O30 V6 94.24(16) . .
V3 O31 V12 103.51(18) . .
V3 O31 V14 138.3(2) . .
V12 O31 V14 101.78(17) . .
V13 O32 V12 96.89(17) . .
V13 O32 V14 142.3(2) . .
V12 O32 V14 101.75(17) . .
V8 O33 V9 99.29(17) . .
V8 O33 V11 140.0(2) . .
V9 O33 V11 98.83(16) . .
V2 O34 V8 106.56(19) . .
V2 O34 V1 137.8(2) . .
V8 O34 V1 100.97(17) . .
V4 O35 V7 97.16(18) . .
V4 O35 V10 142.8(2) . .
V7 O35 V10 99.70(17) . .
V9 O36 V1 140.93(19) . .
V9 O36 V8 98.71(16) . .
V1 O36 V8 101.38(17) . .
V16 O37 V15 98.94(16) . .
V16 O37 V1 141.10(19) . .
V15 O37 V1 100.37(16) . .
V15 O38 V16 98.88(16) . .
V15 O38 V14 140.0(2) . .
V16 O38 V14 100.17(17) . .
C1 N1 C2 106.8(6) . .
C1 N1 Cu1 124.0(5) . .
C2 N1 Cu1 129.2(5) . .
C1 N2 C3 106.1(6) . .
C1 N2 C4 127.4(6) . .
C3 N2 C4 126.4(6) . .
C10 N3 C9 103.8(8) . .
C10 N3 Cu2 127.4(6) . .
C9 N3 Cu2 128.6(6) . .
C8 N4 C10 104.8(8) . .
C8 N4 C7 125.7(9) . .
C10 N4 C7 128.8(8) . .
C11 N5 C12 105.0(6) . .
C11 N5 Cu1 127.1(5) . .
C12 N5 Cu1 127.9(6) . .
C11 N6 C13 106.5(7) . .
C11 N6 C14 127.0(6) . .
C13 N6 C14 125.9(6) . .
C16 N7 C17 104.7(8) . .
C16 N7 Cu2 122.0(6) . .
C17 N7 Cu2 133.3(7) . .
C16 N8 C18 106.9(7) . .
C16 N8 C19 125.6(7) . .
C18 N8 C19 127.5(7) . .
C25 N9 C24 103.1(7) . .
C25 N9 Cu3 125.2(5) . .
C24 N9 Cu3 129.1(6) . .
C25 N10 C23 106.5(7) . .
C25 N10 C22 124.1(7) . .
C23 N10 C22 129.4(7) . .
C26 N11 C27 104.8(9) . .
C26 N11 Cu3 125.5(6) . .
C27 N11 Cu3 127.3(8) . .
C26 N12 C28 105.0(9) . .
C26 N12 C29 127.8(8) . .
C28 N12 C29 127.1(8) . .
C32 N13 C34 104.4(6) . .
C32 N13 Cu4 126.0(5) . .
C34 N13 Cu4 128.7(5) . .
C32 N14 C33 106.2(6) . .
C32 N14 C35 126.8(7) . .
C33 N14 C35 127.0(7) . .
C36 N15 C37 104.9(6) . .
C36 N15 Cu4 127.6(5) . .
C37 N15 Cu4 127.4(5) . .
C36 N16 C38 105.4(6) . .
C36 N16 C39 127.6(6) . .
C38 N16 C39 126.9(7) . .
C47 N17 C48 103.8(6) . .
C47 N17 Cu5 127.0(5) . .
C48 N17 Cu5 128.3(5) . .
C47 N18 C49 106.3(6) . .
C47 N18 C50 126.7(6) . .
C49 N18 C50 126.9(7) . .
C43 N19 C41 105.8(7) . .
C43 N19 Cu5 127.9(5) . .
C41 N19 Cu5 124.2(6) . .
C43 N20 C42 105.3(7) . .
C43 N20 C44 126.9(7) . .
C42 N20 C44 127.3(8) . .
C53 N21 C55 104.7(7) . .
C53 N21 Cu6 124.7(5) . .
C55 N21 Cu6 128.8(6) . .
C53 N22 C54 107.3(7) . .
C53 N22 C56 126.7(6) . .
C54 N22 C56 126.0(6) . .
C57 N23 C58 104.6(8) . .
C57 N23 Cu6 125.8(5) . .
C58 N23 Cu6 129.2(7) . .
C57 N24 C59 105.9(8) . .
C57 N24 C60 127.6(9) . .
C59 N24 C60 126.4(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
V1 O3 1.603(4) .
V1 O36 1.929(4) .
V1 O23 1.940(4) .
V1 O37 1.952(3) .
V1 O34 1.963(4) .
V1 V15 2.9906(15) .
V1 V8 2.9987(14) .
V2 O21 1.608(4) .
V2 O14 1.748(4) .
V2 O22 1.851(4) .
V2 O34 1.855(4) .
V2 O9 2.307(5) .
V2 V8 3.029(2) .
V2 V7 3.0674(16) .
V3 O17 1.599(4) .
V3 O11 1.776(4) .
V3 O31 1.877(4) .
V3 O25 1.882(4) .
V3 O18 2.126(4) .
V3 V12 2.986(2) .
V3 V4 2.9998(17) .
V4 O16 1.587(4) .
V4 O35 1.847(4) .
V4 O18 1.863(4) .
V4 O27 1.925(4) .
V4 O25 1.930(4) .
V4 V7 2.8537(15) .
V4 V11 2.9950(16) .
V5 O2 1.604(4) .
V5 O11 1.873(4) .
V5 O24 1.878(4) .
V5 O29 1.893(4) .
V5 O26 2.092(4) .
V5 V16 2.8683(16) .
V5 V9 2.8982(14) .
V6 O7 1.599(4) .
V6 O28 1.879(4) .
V6 O23 1.889(4) .
V6 O14 1.907(4) .
V6 O30 2.067(4) .
V6 V15 2.8620(18) .
V6 V13 2.9005(15) .
V7 O4 1.612(4) .
V7 O9 1.885(4) .
V7 O27 1.891(4) .
V7 O22 1.939(4) .
V7 O35 1.958(4) .
V7 V10 2.9990(18) .
V8 O15 1.599(4) .
V8 O9 1.806(4) .
V8 O33 1.867(4) .
V8 O34 1.924(4) .
V8 O36 1.947(4) .
V8 V9 2.9152(18) .
V9 O6 1.608(4) .
V9 O26 1.864(4) .
V9 O36 1.895(4) .
V9 O29 1.910(4) .
V9 O33 1.958(4) .
V9 V11 2.9829(14) .
V10 O10 1.588(4) .
V10 O28 1.957(4) .
V10 O22 1.959(4) .
V10 O20 1.962(4) .
V10 O35 1.966(4) .
V10 V13 2.9871(15) .
V11 O1 1.601(4) .
V11 O25 1.950(4) .
V11 O29 1.951(4) .
V11 O27 1.952(4) .
V11 O33 1.970(4) .
V12 O8 1.596(4) .
V12 O20 1.855(4) .
V12 O18 1.872(4) .
V12 O32 1.923(4) .
V12 O31 1.925(4) .
V12 V13 2.8596(17) .
V12 V14 3.0123(15) .
V13 O19 1.592(4) .
V13 O30 1.887(4) .
V13 O32 1.898(4) .
V13 O28 1.910(4) .
V13 O20 1.967(4) .
V14 O5 1.605(4) .
V14 O24 1.948(4) .
V14 O31 1.957(4) .
V14 O32 1.960(4) .
V14 O38 1.972(4) .
V14 V16 3.0101(14) .
V15 O13 1.592(4) .
V15 O30 1.844(4) .
V15 O38 1.870(4) .
V15 O23 1.904(3) .
V15 O37 1.941(4) .
V15 V16 2.904(2) .
V16 O12 1.601(4) .
V16 O26 1.831(4) .
V16 O37 1.880(3) .
V16 O24 1.906(4) .
V16 O38 1.952(4) .
Cu1 N5 1.868(6) .
Cu1 N1 1.889(6) .
Cu1 O1 2.260(4) .
Cu2 N3 1.877(7) .
Cu2 N7 1.881(7) .
Cu2 Cu2 3.056(2) 2_665
Cu3 N9 1.866(6) .
Cu3 N11 1.877(8) .
Cu4 N15 1.889(5) .
Cu4 N13 1.893(6) .
Cu4 O4 2.229(4) .
Cu5 N17 1.873(6) .
Cu5 N19 1.894(6) .
Cu5 O5 2.151(4) .
Cu5 Cu5 2.7307(18) 2_775
Cu6 N21 1.873(6) .
Cu6 N23 1.877(6) .
Cu6 O6 2.384(4) .
C1 N1 1.285(10) .
C1 N2 1.321(9) .
C1 H1A 0.9300 .
C2 N1 1.353(9) .
C2 C3 1.364(10) .
C2 H2A 0.9300 .
C3 N2 1.373(9) .
C3 H3A 0.9300 .
C4 N2 1.452(10) .
C4 C5 1.487(13) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.530(14) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 C7 1.455(9) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 N4 1.527(9) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 N4 1.348(11) .
C8 C9 1.349(14) .
C8 H8A 0.9300 .
C9 N3 1.367(10) .
C9 H9A 0.9300 .
C10 N3 1.304(11) .
C10 N4 1.350(12) .
C10 H10A 0.9300 .
C11 N5 1.308(9) .
C11 N6 1.336(9) .
C11 H11A 0.9300 .
C12 C13 1.315(12) .
C12 N5 1.383(10) .
C12 H12A 0.9300 .
C13 N6 1.364(10) .
C13 H13A 0.9300 .
C14 N6 1.444(10) .
C14 C15 1.479(9) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C15 1.35(2) 2_766
C15 H15B 0.9700 .
C15 H15C 0.9700 .
C16 N7 1.310(10) .
C16 N8 1.327(10) .
C16 H16A 0.9300 .
C17 C18 1.343(13) .
C17 N7 1.388(11) .
C17 H17A 0.9300 .
C18 N8 1.363(10) .
C18 H18A 0.9300 .
C19 N8 1.470(11) .
C19 C20 1.527(14) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 C21 1.469(9) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C22 1.536(14) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 N10 1.457(11) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.329(14) .
C23 N10 1.342(11) .
C23 H23A 0.9300 .
C24 N9 1.414(10) .
C24 H24A 0.9300 .
C25 N9 1.307(9) .
C25 N10 1.339(9) .
C25 H25A 0.9300 .
C26 N11 1.300(12) .
C26 N12 1.319(10) .
C26 H26A 0.9300 .
C27 C28 1.286(17) .
C27 N11 1.388(11) .
C27 H27A 0.9300 .
C28 N12 1.416(14) .
C28 H28A 0.9300 .
C29 N12 1.446(14) .
C29 C30 1.504(5) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 C31 1.475(5) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C56 1.314(16) 2_776
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 N13 1.300(9) .
C32 N14 1.316(9) .
C32 H32A 0.9300 .
C33 C34 1.298(11) .
C33 N14 1.358(10) .
C33 H33A 0.9300 .
C34 N13 1.400(9) .
C34 H34A 0.9300 .
C35 N14 1.457(9) .
C35 C52 1.523(12) 2_765
C35 H35B 0.9700 .
C35 H35C 0.9700 .
C36 N15 1.305(8) .
C36 N16 1.341(9) .
C36 H36A 0.9300 .
C37 C38 1.323(11) .
C37 N15 1.360(9) .
C37 H37A 0.9300 .
C38 N16 1.375(10) .
C38 H38A 0.9300 .
C39 N16 1.480(9) .
C39 C40 1.523(11) .
C39 H39A 0.9700 .
C39 H39B 0.9700 .
C40 C40 1.466(16) 2_876
C40 H40B 0.9700 .
C40 H40C 0.9700 .
C41 C42 1.321(13) .
C41 N19 1.356(9) .
C41 H41A 0.9300 .
C42 N20 1.371(10) .
C42 H42A 0.9300 .
C43 N19 1.295(9) .
C43 N20 1.320(10) .
C43 H43A 0.9300 .
C44 N20 1.460(12) .
C44 C45 1.541(13) .
C44 H44A 0.9700 .
C44 H44B 0.9700 .
C45 C46 1.472(8) .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C46 C60 1.566(14) 1_665
C46 H46B 0.9700 .
C46 H46C 0.9700 .
C47 N18 1.318(9) .
C47 N17 1.326(8) .
C47 H47A 0.9300 .
C48 C49 1.340(12) .
C48 N17 1.362(10) .
C48 H48A 0.9300 .
C49 N18 1.371(10) .
C49 H49A 0.9300 .
C50 N18 1.459(9) .
C50 C51 1.508(11) .
C50 H50A 0.9700 .
C50 H50B 0.9700 .
C51 C52 1.543(13) .
C51 H51A 0.9700 .
C51 H51B 0.9700 .
C52 C35 1.523(12) 2_765
C52 H52B 0.9700 .
C52 H52C 0.9700 .
C53 N21 1.311(10) .
C53 N22 1.316(9) .
C53 H53A 0.9300 .
C54 C55 1.335(12) .
C54 N22 1.370(9) .
C54 H54A 0.9300 .
C55 N21 1.375(11) .
C55 H55A 0.9300 .
C56 C31 1.314(16) 2_776
C56 N22 1.450(10) .
C56 H56B 0.9700 .
C56 H56C 0.9700 .
C57 N23 1.301(10) .
C57 N24 1.310(10) .
C57 H57A 0.9300 .
C58 C59 1.339(14) .
C58 N23 1.358(11) .
C58 H58A 0.9300 .
C59 N24 1.335(13) .
C59 H59A 0.9300 .
C60 N24 1.454(12) .
C60 C46 1.566(14) 1_445
C60 H60B 0.9700 .
C60 H60C 0.9700 .
