#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:55:38 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179496 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/93/4339374.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_4339374
loop_
_publ_author_name
'Park, Jaejoon'
'Hong, Seunghee'
'Moon, Dohyun'
'Park, Mira'
'Lee, Kyungjin'
'Kang, Sangmi'
'Zou, Yang'
'John, Rohith P.'
'Kim, Ghyung Hwa'
'Lah, Myoung Soo'
_publ_section_title
;
 Porous metal-organic frameworks based on metal-organic polyhedra with
 nanosized cavities as supramolecular building blocks: two-fold
 interpenetrating primitive cubic networks of [Cu6L8]12+ nanocages.
;
_journal_issue                   24
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10208
_journal_page_last               10213
_journal_paper_doi               10.1021/ic7013623
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C318 H306 Cl18 Cu9 N72 O123 S14'
_chemical_formula_weight         8763.24
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           147
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   67.645(10)
_cell_length_b                   67.645(10)
_cell_length_c                   21.559(4)
_cell_measurement_reflns_used    83600
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      20.79
_cell_measurement_theta_min      0.91
_cell_volume                     85434(2)
_computing_cell_refinement       HKL2000
_computing_data_collection       'PAL ADSC Quantum-210 ADX Program'
_computing_data_reduction        HKL2000
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.853
_diffrn_measured_fraction_theta_max 0.853
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi scans'
_diffrn_radiation_monochromator  'Pt coated Si double crystal'
_diffrn_radiation_source         'Fixed gap multiple wiggler beamline'
_diffrn_radiation_type           ?synchrotronsynchrotron
_diffrn_radiation_wavelength     0.70000
_diffrn_reflns_av_R_equivalents  0.1111
_diffrn_reflns_av_sigmaI/netI    0.1982
_diffrn_reflns_limit_h_max       68
_diffrn_reflns_limit_h_min       -67
_diffrn_reflns_limit_k_max       67
_diffrn_reflns_limit_k_min       -67
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            83600
_diffrn_reflns_theta_full        20.79
_diffrn_reflns_theta_max         20.79
_diffrn_reflns_theta_min         0.91
_exptl_absorpt_coefficient_mu    0.491
_exptl_absorpt_correction_T_max  0.9082
_exptl_absorpt_correction_T_min  0.8279
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   HKL2000-Scalepack
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    0.941
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             26958
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.765
_refine_diff_density_min         -0.591
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.852
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2749
_refine_ls_number_reflns         53033
_refine_ls_number_restraints     208
_refine_ls_restrained_S_all      0.902
_refine_ls_R_factor_all          0.2092
_refine_ls_R_factor_gt           0.1307
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3274
_refine_ls_wR_factor_ref         0.3634
_reflns_number_gt                16997
_reflns_number_total             53033
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic7013623-file001.cif
_cod_data_source_block           structure1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
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        85433(24)
_cod_original_sg_symbol_H-M      P-3
_cod_database_code               4339374
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 1.11435(3) 0.33078(3) 0.90681(8) 0.0807(5) Uani 1 1 d . . .
Cu2 Cu 0.87372(3) 0.32776(4) 0.39440(8) 0.1022(6) Uani 1 1 d . A .
Cu3 Cu 0.87944(3) 0.21499(3) 0.92085(9) 0.0899(6) Uani 1 1 d . . .
Cu4 Cu 0.99365(4) 0.21065(4) 0.38423(10) 0.1318(8) Uani 1 1 d . . .
Cu5 Cu 1.10876(3) 0.44485(3) 0.36484(9) 0.1074(7) Uani 1 1 d . B .
Cu6 Cu 1.00012(3) 0.45199(3) 0.90768(8) 0.0916(6) Uani 1 1 d . . .
S1 S 1.07168(10) 0.32892(9) 0.7976(3) 0.167(2) Uani 1 1 d D . .
O1 O 1.08539(14) 0.32852(13) 0.8486(4) 0.084(3) Uani 1 1 d D . .
C1 C 1.0583(3) 0.3016(2) 0.7583(8) 0.141(6) Uiso 1 1 d D . .
C2 C 1.0502(3) 0.3338(4) 0.8268(11) 0.203(9) Uiso 1 1 d D . .
S21 S 0.92635(9) 0.33410(11) 0.4612(3) 0.097(2) Uani 0.65 1 d PD A 1
S22 S 0.9157(5) 0.3245(5) 0.4959(11) 0.264(14) Uiso 0.35 1 d PD A 2
O2 O 0.90150(14) 0.32808(17) 0.4527(4) 0.106(3) Uani 1 1 d D . .
C3 C 0.9246(3) 0.3067(2) 0.4581(9) 0.160(7) Uiso 1 1 d D . .
C4 C 0.9327(3) 0.3456(3) 0.5349(9) 0.153(7) Uiso 1 1 d D . .
S3 S 0.91940(9) 0.25543(10) 0.8047(3) 0.169(2) Uani 1 1 d D . .
O3 O 0.90603(13) 0.24233(14) 0.8599(4) 0.095(3) Uani 1 1 d D . .
C5 C 0.9033(4) 0.2665(4) 0.7666(10) 0.203(9) Uiso 1 1 d D . .
C6 C 0.9403(5) 0.2804(5) 0.8460(18) 0.43(3) Uiso 1 1 d D . .
S4 S 0.98890(9) 0.25732(11) 0.4586(3) 0.168(2) Uani 1 1 d D . .
O4 O 0.99565(16) 0.23959(17) 0.4473(4) 0.116(3) Uani 1 1 d D . .
C7 C 0.9817(4) 0.2540(4) 0.5394(8) 0.199(9) Uiso 1 1 d D . .
C8 C 1.0164(3) 0.2832(3) 0.4592(11) 0.190(9) Uiso 1 1 d D . .
S51 S 1.06259(10) 0.39273(10) 0.4428(3) 0.1112(19) Uani 0.75 1 d PD B 1
S52 S 1.0642(4) 0.4087(5) 0.4874(12) 0.284(18) Uiso 0.25 1 d PD B 2
O5 O 1.08133(18) 0.41716(17) 0.4350(5) 0.125(4) Uani 1 1 d D . .
C9 C 1.0680(3) 0.3868(3) 0.5208(7) 0.161(7) Uiso 1 1 d D . .
C10 C 1.0366(3) 0.3933(4) 0.4523(12) 0.231(11) Uiso 1 1 d D . .
S6 S 0.99905(11) 0.40995(11) 0.7973(4) 0.189(3) Uani 1 1 d D . .
O6 O 0.99999(13) 0.42464(13) 0.8481(4) 0.083(3) Uani 1 1 d D . .
C11 C 0.9970(5) 0.3853(4) 0.8295(13) 0.267(13) Uiso 1 1 d D . .
C12 C 1.0255(3) 0.4255(4) 0.7577(11) 0.231(11) Uiso 1 1 d D . .
O1A O 1.05497(18) 0.2203(2) 0.7751(6) 0.159(5) Uani 1 1 d . . .
O2A O 0.97301(17) 0.19818(18) 0.9499(5) 0.109(3) Uani 1 1 d . . .
O3A O 0.95640(17) 0.1632(2) 0.6856(6) 0.174(5) Uani 1 1 d D . .
N4A N 1.05395(18) 0.2465(2) 0.8402(5) 0.089(3) Uani 1 1 d . . .
N5A N 0.94660(18) 0.20103(18) 0.8841(6) 0.098(4) Uani 1 1 d . . .
N6A N 0.98476(11) 0.19318(9) 0.6271(3) 0.126(5) Uani 1 1 d D . .
C1A C 1.01826(11) 0.21441(9) 0.8064(3) 0.107(5) Uani 1 1 d R . .
C2A C 1.00433(11) 0.21308(9) 0.8555(3) 0.099(5) Uani 1 1 d R . .
C3A C 0.98080(11) 0.20200(9) 0.8478(3) 0.078(4) Uani 1 1 d R . .
C4A C 0.97118(11) 0.19225(9) 0.7909(3) 0.108(5) Uani 1 1 d R . .
C5A C 0.98510(11) 0.19359(9) 0.7418(3) 0.114(6) Uani 1 1 d R . .
C6A C 1.00864(11) 0.20467(9) 0.7495(3) 0.113(6) Uani 1 1 d R . .
C7A C 1.04302(12) 0.22557(11) 0.8061(2) 0.108(5) Uani 1 1 d . . .
C8A C 1.07913(12) 0.26230(11) 0.8484(2) 0.082(4) Uani 1 1 d R . .
C9A C 1.08464(12) 0.28397(11) 0.8686(2) 0.074(4) Uani 1 1 d R . .
N1A N 1.10738(12) 0.30082(11) 0.8752(2) 0.090(3) Uani 1 1 d R . .
C10A C 1.12461(12) 0.29599(11) 0.8616(2) 0.096(5) Uani 1 1 d R . .
C11A C 1.11910(12) 0.27432(11) 0.8414(2) 0.105(5) Uani 1 1 d R . .
C12A C 1.09636(12) 0.25747(11) 0.8348(2) 0.122(6) Uani 1 1 d R . .
C13A C 0.96859(7) 0.20375(7) 0.9025(2) 0.104(6) Uani 1 1 d . . .
C14A C 0.93377(7) 0.19982(7) 0.9313(2) 0.067(4) Uani 1 1 d R . .
C15A C 0.91935(7) 0.20736(7) 0.9095(2) 0.101(5) Uani 1 1 d R . .
N2A N 0.90231(7) 0.20640(7) 0.9476(2) 0.085(3) Uani 1 1 d R . .
C16A C 0.89970(7) 0.19789(7) 1.0075(2) 0.081(4) Uani 1 1 d R . .
C17A C 0.91412(7) 0.19035(7) 1.0294(2) 0.117(6) Uani 1 1 d R . .
C18A C 0.93115(7) 0.19131(7) 0.9913(2) 0.098(5) Uani 1 1 d R . .
C19A C 0.97629(7) 0.17942(7) 0.6934(2) 0.242(13) Uiso 1 1 d RD . .
C20A C 0.97887(7) 0.18285(7) 0.5648(2) 0.090(4) Uani 1 1 d R . .
C21A C 0.98718(7) 0.19752(7) 0.5142(2) 0.115(6) Uani 1 1 d R . .
N3A N 0.97994(7) 0.18915(7) 0.4547(2) 0.126(5) Uani 1 1 d R . .
C22A C 0.96439(7) 0.16612(7) 0.4457(2) 0.189(11) Uani 1 1 d R . .
C23A C 0.95608(7) 0.15146(7) 0.4963(2) 0.184(10) Uani 1 1 d R . .
C24A C 0.96332(7) 0.15982(7) 0.5558(2) 0.148(7) Uani 1 1 d R . .
O1B O 1.1062(2) 0.3129(2) 0.6767(5) 0.156(5) Uani 1 1 d . . .
O2B O 1.06279(19) 0.2887(2) 0.4096(7) 0.158(5) Uani 1 1 d . . .
O3B O 1.1179(2) 0.38752(17) 0.4907(5) 0.125(4) Uani 1 1 d D . .
N4B N 1.1373(2) 0.3501(2) 0.6649(7) 0.126(6) Uani 1 1 d . . .
N5B N 1.0772(2) 0.2688(3) 0.4723(6) 0.111(5) Uani 1 1 d . . .
N6B N 1.12473(10) 0.37411(13) 0.3913(3) 0.101(4) Uani 1 1 d D . .
C1B C 1.11138(10) 0.32945(13) 0.5797(3) 0.103(5) Uani 1 1 d R . .
C2B C 1.09718(10) 0.30910(13) 0.5491(3) 0.121(6) Uani 1 1 d R . .
C3B C 1.09086(10) 0.30946(13) 0.4879(3) 0.110(5) Uani 1 1 d R . .
C4B C 1.09873(10) 0.33016(13) 0.4574(3) 0.107(5) Uani 1 1 d R . .
C5B C 1.11292(10) 0.35052(13) 0.4881(3) 0.136(7) Uani 1 1 d R . .
C6B C 1.11924(10) 0.35016(13) 0.5492(3) 0.101(5) Uani 1 1 d R . .
C7B C 1.12060(12) 0.33187(11) 0.6406(3) 0.125(8) Uani 1 1 d . . .
C8B C 1.14373(12) 0.35061(11) 0.7315(3) 0.104(5) Uani 1 1 d R . .
C9B C 1.12971(12) 0.33927(11) 0.7817(3) 0.096(5) Uani 1 1 d R . .
N1B N 1.13764(12) 0.34606(11) 0.8419(3) 0.094(4) Uani 1 1 d R . .
C10B C 1.15958(12) 0.36417(11) 0.8518(3) 0.101(5) Uani 1 1 d R . .
C11B C 1.17361(12) 0.37551(11) 0.8015(3) 0.130(7) Uani 1 1 d R . .
C12B C 1.16567(12) 0.36873(11) 0.7414(3) 0.142(7) Uani 1 1 d R . .
C13B C 1.07690(14) 0.28755(17) 0.4472(3) 0.117(7) Uani 1 1 d . . .
C14B C 1.06254(14) 0.24649(17) 0.4543(3) 0.125(6) Uani 1 1 d R . .
C15B C 1.04096(14) 0.24146(17) 0.4345(3) 0.132(7) Uani 1 1 d R . .
N2B N 1.02562(14) 0.21974(17) 0.4127(3) 0.127(5) Uani 1 1 d R . .
C16B C 1.03187(14) 0.20305(17) 0.4106(3) 0.148(7) Uani 1 1 d R . .
C17B C 1.05345(14) 0.20808(17) 0.4303(3) 0.199(11) Uani 1 1 d R . .
C18B C 1.06879(14) 0.22980(17) 0.4522(3) 0.137(7) Uani 1 1 d R . .
C19B C 1.11970(8) 0.37367(12) 0.4618(4) 0.115(6) Uani 1 1 d D . .
C20B C 1.12459(8) 0.39030(12) 0.3502(4) 0.114(6) Uani 1 1 d R . .
C21B C 1.11688(8) 0.40477(12) 0.3705(4) 0.119(6) Uani 1 1 d R B .
N3B N 1.11712(8) 0.42099(12) 0.3304(4) 0.117(5) Uani 1 1 d R . .
C22B C 1.12509(8) 0.42273(12) 0.2700(4) 0.138(6) Uiso 1 1 d R B .
C23B C 1.13280(8) 0.40826(12) 0.2498(4) 0.149(8) Uani 1 1 d R . .
C24B C 1.13256(8) 0.39204(12) 0.2899(4) 0.152(9) Uani 1 1 d R B .
O1C O 1.1314(2) 0.44173(18) 0.9296(6) 0.130(4) Uani 1 1 d . . .
O2C O 1.1598(2) 0.4530(2) 0.6565(6) 0.169(5) Uani 1 1 d . . .
O3C O 1.10830(16) 0.50063(16) 0.7600(5) 0.115(3) Uani 1 1 d . . .
N4C N 1.12653(16) 0.41256(18) 0.8722(5) 0.074(3) Uani 1 1 d . . .
N5C N 1.1333(2) 0.4575(2) 0.6022(6) 0.106(4) Uani 1 1 d . . .
N6C N 1.08010(9) 0.47399(9) 0.8272(3) 0.103(4) Uani 1 1 d . . .
C1C C 1.12638(9) 0.44588(9) 0.8267(3) 0.103(5) Uani 1 1 d R . .
C2C C 1.13552(9) 0.44502(9) 0.7697(3) 0.155(9) Uani 1 1 d R . .
C3C C 1.13295(9) 0.45608(9) 0.7186(3) 0.112(7) Uani 1 1 d R . .
C4C C 1.12123(9) 0.46798(9) 0.7245(3) 0.097(5) Uani 1 1 d R . .
C5C C 1.11209(9) 0.46883(9) 0.7815(3) 0.090(5) Uani 1 1 d R . .
C6C C 1.11466(9) 0.45778(9) 0.8326(3) 0.079(4) Uani 1 1 d R . .
C7C C 1.12481(8) 0.43148(11) 0.8827(3) 0.132(8) Uani 1 1 d . . .
C8C C 1.12828(8) 0.39953(11) 0.9186(3) 0.073(4) Uani 1 1 d R . .
C9C C 1.12094(8) 0.37724(11) 0.9001(3) 0.084(4) Uani 1 1 d R . .
N1C N 1.12391(8) 0.36257(11) 0.9391(3) 0.087(3) Uani 1 1 d R . .
C10C C 1.13421(8) 0.37019(11) 0.9967(3) 0.110(5) Uiso 1 1 d R . .
C11C C 1.14155(8) 0.39249(11) 1.0152(3) 0.100(5) Uiso 1 1 d R . .
C12C C 1.13857(8) 0.40716(11) 0.9762(3) 0.107(5) Uani 1 1 d R . .
C13C C 1.14170(12) 0.45764(10) 0.6566(5) 0.156(10) Uani 1 1 d . . .
C14C C 1.14303(12) 0.45848(10) 0.5440(5) 0.133(8) Uani 1 1 d R . .
C15C C 1.12559(12) 0.45086(10) 0.5005(5) 0.142(8) Uani 1 1 d R B .
N2C N 1.13051(12) 0.45135(10) 0.4377(5) 0.183(9) Uani 1 1 d R . .
C16C C 1.15288(12) 0.45944(10) 0.4185(5) 0.119(6) Uani 1 1 d R B .
C17C C 1.17033(12) 0.46706(10) 0.4621(5) 0.169(10) Uani 1 1 d R . .
C18C C 1.16540(12) 0.46658(10) 0.5248(5) 0.138(7) Uani 1 1 d R B .
C19C C 1.10309(12) 0.48284(11) 0.7940(2) 0.113(6) Uani 1 1 d . . .
C20C C 1.06792(12) 0.48382(11) 0.8376(2) 0.105(5) Uani 1 1 d R . .
C21C C 1.04658(12) 0.46807(11) 0.8609(2) 0.088(4) Uani 1 1 d R . .
N3C N 1.03014(12) 0.47437(11) 0.8700(2) 0.085(3) Uani 1 1 d R . .
C22C C 1.03502(12) 0.49641(11) 0.8558(2) 0.118(6) Uani 1 1 d R . .
C23C C 1.05637(12) 0.51215(11) 0.8326(2) 0.127(6) Uani 1 1 d R . .
C24C C 1.07282(12) 0.50586(11) 0.8235(2) 0.107(5) Uani 1 1 d R . .
O1D O 1.0569(2) 0.3488(2) 0.9924(6) 0.146(5) Uani 1 1 d . . .
O2D O 0.9836(2) 0.37705(18) 1.0095(8) 0.178(6) Uani 1 1 d . . .
O3D O 0.9561(3) 0.2734(3) 1.0130(8) 0.193(7) Uani 1 1 d . . .
N4D N 1.0439(2) 0.3183(2) 1.0512(5) 0.104(5) Uani 1 1 d . . .
N5D N 1.0190(2) 0.3974(3) 1.0421(7) 0.131(5) Uani 1 1 d . . .
N6D N 0.93398(13) 0.28963(13) 1.0430(3) 0.139(5) Uani 1 1 d . . .
C1D C 1.01976(13) 0.33271(13) 1.0398(3) 0.131(7) Uani 1 1 d R . .
C2D C 1.02103(13) 0.35385(13) 1.0376(3) 0.093(5) Uani 1 1 d R . .
C3D C 1.00117(13) 0.35514(13) 1.0391(3) 0.111(6) Uani 1 1 d R . .
C4D C 0.98004(13) 0.33530(13) 1.0428(3) 0.111(6) Uani 1 1 d R . .
C5D C 0.97877(13) 0.31416(13) 1.0450(3) 0.103(5) Uani 1 1 d R . .
C6D C 0.99864(13) 0.31287(13) 1.0435(3) 0.148(8) Uani 1 1 d R . .
C7D C 1.04244(11) 0.33501(10) 1.0277(3) 0.130(7) Uani 1 1 d . . .
C8D C 1.06300(11) 0.31466(10) 1.0421(3) 0.110(5) Uani 1 1 d R . .
C9D C 1.07679(11) 0.32273(10) 0.9898(3) 0.113(5) Uani 1 1 d R . .
N1D N 1.09390(11) 0.31738(10) 0.9803(3) 0.086(3) Uani 1 1 d R . .
C10D C 1.09723(11) 0.30396(10) 1.0231(3) 0.082(4) Uiso 1 1 d R . .
C11D C 1.08345(11) 0.29589(10) 1.0755(3) 0.221(13) Uani 1 1 d R . .
C12D C 1.06634(11) 0.30125(10) 1.0850(3) 0.129(6) Uani 1 1 d R . .
C13D C 1.00187(12) 0.37948(14) 1.0342(3) 0.106(6) Uani 1 1 d . . .
C14D C 1.02448(12) 0.41932(14) 1.0291(3) 0.140(8) Uani 1 1 d R . .
C15D C 1.01152(12) 0.42413(14) 0.9884(3) 0.082(4) Uani 1 1 d R . .
N2D N 1.01553(12) 0.44631(14) 0.9830(3) 0.112(4) Uani 1 1 d R . .
C16D C 1.03250(12) 0.46369(14) 1.0183(3) 0.133(7) Uani 1 1 d R . .
C17D C 1.04547(12) 0.45888(14) 1.0591(3) 0.153(8) Uani 1 1 d R . .
C18D C 1.04147(12) 0.43670(14) 1.0644(3) 0.146(7) Uani 1 1 d R . .
C19D C 0.95676(12) 0.28962(13) 1.0321(3) 0.165(12) Uani 1 1 d . . .
C20D C 0.91437(12) 0.27307(13) 1.0356(3) 0.123(7) Uani 1 1 d R . .
C21D C 0.90855(12) 0.25372(13) 1.0002(3) 0.108(5) Uani 1 1 d R . .
N3D N 0.88585(12) 0.23655(13) 0.9957(3) 0.104(4) Uani 1 1 d R . .
C22D C 0.86899(12) 0.23871(13) 1.0265(3) 0.155(9) Uani 1 1 d R . .
C23D C 0.87481(12) 0.25805(13) 1.0619(3) 0.222(14) Uani 1 1 d R . .
C24D C 0.89750(12) 0.27523(13) 1.0664(3) 0.184(9) Uani 1 1 d R . .
O1E O 0.88099(19) 0.2577(2) 0.4228(6) 0.146(4) Uani 1 1 d . . .
O2E O 0.86521(17) 0.21719(19) 0.6935(5) 0.125(4) Uani 1 1 d . . .
O3E O 0.92803(18) 0.2034(2) 0.5085(6) 0.142(4) Uani 1 1 d . . .
N4E N 0.8507(3) 0.2454(2) 0.4871(8) 0.165(8) Uani 1 1 d . . .
N5E N 0.8705(2) 0.1862(3) 0.6805(8) 0.149(7) Uani 1 1 d . . .
N6E N 0.90868(10) 0.20009(10) 0.4126(4) 0.134(6) Uani 1 1 d . . .
C1E C 0.87475(10) 0.23002(10) 0.5039(4) 0.131(7) Uani 1 1 d R . .
C2E C 0.87011(10) 0.22459(10) 0.5664(4) 0.120(6) Uani 1 1 d R . .
C3E C 0.87881(10) 0.21237(10) 0.5963(4) 0.138(7) Uiso 1 1 d R . .
C4E C 0.89215(10) 0.20559(10) 0.5638(4) 0.124(6) Uani 1 1 d R . .
C5E C 0.89679(10) 0.21102(10) 0.5013(4) 0.126(6) Uiso 1 1 d R . .
C6E C 0.88810(10) 0.22324(10) 0.4714(4) 0.098(5) Uiso 1 1 d R . .
C7E C 0.86726(12) 0.24391(13) 0.4628(3) 0.141(9) Uani 1 1 d . . .
C8E C 0.84307(12) 0.25936(13) 0.4642(3) 0.153(8) Uani 1 1 d R . .
C9E C 0.85817(12) 0.28128(13) 0.4433(3) 0.113(6) Uani 1 1 d R A .
N1E N 0.85019(12) 0.29603(13) 0.4281(3) 0.097(4) Uani 1 1 d R . .
C10E C 0.82710(12) 0.28886(13) 0.4340(3) 0.106(5) Uani 1 1 d R A .
C11E C 0.81200(12) 0.26693(13) 0.4549(3) 0.191(10) Uani 1 1 d R . .
C12E C 0.81998(12) 0.25218(13) 0.4700(3) 0.129(6) Uiso 1 1 d R A .
C13E C 0.87093(8) 0.20371(13) 0.6550(4) 0.134(8) Uani 1 1 d . . .
C14E C 0.86832(8) 0.18303(13) 0.7445(4) 0.105(6) Uani 1 1 d R . .
C15E C 0.87112(8) 0.19743(13) 0.7938(4) 0.106(5) Uani 1 1 d R . .
N2E N 0.86926(8) 0.18968(13) 0.8544(4) 0.100(4) Uani 1 1 d R . .
C16E C 0.86459(8) 0.16752(13) 0.8657(4) 0.177(10) Uani 1 1 d R . .
C17E C 0.86179(8) 0.15312(13) 0.8163(4) 0.170(11) Uani 1 1 d R . .
C18E C 0.86365(8) 0.16087(13) 0.7557(4) 0.145(9) Uani 1 1 d R . .
C19E C 0.91374(15) 0.20474(11) 0.4704(4) 0.133(7) Uani 1 1 d . . .
C20E C 0.92838(15) 0.20137(11) 0.3760(4) 0.257(18) Uani 1 1 d R . .
C21E C 0.94925(15) 0.20449(11) 0.3964(4) 0.211(13) Uani 1 1 d R . .
N3E N 0.96242(15) 0.19936(11) 0.3574(4) 0.139(6) Uani 1 1 d R . .
C22E C 0.95473(15) 0.19111(11) 0.2980(4) 0.163(8) Uiso 1 1 d R . .
C23E C 0.93385(15) 0.18799(11) 0.2776(4) 0.186(10) Uani 1 1 d R . .
C24E C 0.92068(15) 0.19312(11) 0.3166(4) 0.191(10) Uiso 1 1 d R . .
O1F O 0.9275(3) 0.2851(3) 0.2006(6) 0.176(6) Uani 1 1 d . . .
O2F O 1.0282(2) 0.3024(3) 0.1823(9) 0.203(8) Uani 1 1 d . . .
O3F O 1.0108(3) 0.3852(3) 0.1885(10) 0.238(10) Uani 1 1 d . . .
N4F N 0.9296(3) 0.3152(4) 0.2548(8) 0.201(8) Uani 1 1 d . . .
N5F N 1.0000(2) 0.2784(3) 0.2379(6) 0.138(5) Uani 1 1 d . . .
N6F N 1.03400(13) 0.38035(14) 0.2354(3) 0.116(5) Uani 1 1 d . . .
C1F C 0.96353(13) 0.31301(14) 0.2151(3) 0.139(7) Uiso 1 1 d R . .
C2F C 0.97245(13) 0.29848(14) 0.2103(3) 0.198(13) Uani 1 1 d R . .
C3F C 0.99589(13) 0.30747(14) 0.2052(3) 0.29(3) Uani 1 1 d R . .
C4F C 1.01041(13) 0.33098(14) 0.2047(3) 0.169(10) Uani 1 1 d R . .
C5F C 1.00149(13) 0.34550(14) 0.2095(3) 0.139(6) Uiso 1 1 d R . .
C6F C 0.97805(13) 0.33652(14) 0.2146(3) 0.122(6) Uani 1 1 d R . .
C7F C 0.93877(14) 0.30482(13) 0.2246(3) 0.143(8) Uani 1 1 d . . .
C8F C 0.90730(14) 0.30805(13) 0.2580(3) 0.180(9) Uiso 1 1 d R . .
C9F C 0.90367(14) 0.31984(13) 0.3053(3) 0.116(5) Uani 1 1 d R A .
N1F N 0.88158(14) 0.31459(13) 0.3204(3) 0.101(4) Uani 1 1 d R . .
C10F C 0.86313(14) 0.29754(13) 0.2881(3) 0.187(10) Uani 1 1 d R A .
C11F C 0.86676(14) 0.28575(13) 0.2408(3) 0.181(10) Uani 1 1 d R . .
C12F C 0.88884(14) 0.29100(13) 0.2258(3) 0.169(8) Uiso 1 1 d R A .
C13F C 1.00728(12) 0.29866(12) 0.1980(4) 0.43(4) Uani 1 1 d . . .
C14F C 1.00654(12) 0.25978(12) 0.2483(4) 0.117(6) Uani 1 1 d R . .
C15F C 0.99847(12) 0.24582(12) 0.3003(4) 0.119(6) Uiso 1 1 d R . .
N2F N 1.00570(12) 0.23025(12) 0.3125(4) 0.126(4) Uiso 1 1 d R . .
C16F C 1.02101(12) 0.22865(12) 0.2727(4) 0.211(12) Uani 1 1 d R . .
C17F C 1.02908(12) 0.24261(12) 0.2207(4) 0.187(9) Uiso 1 1 d R . .
C18F C 1.02185(12) 0.25817(12) 0.2085(4) 0.269(16) Uani 1 1 d R . .
C19F C 1.01318(14) 0.36997(16) 0.2103(3) 0.28(3) Uani 1 1 d . . .
C20F C 1.05018(14) 0.40578(16) 0.2419(3) 0.194(12) Uani 1 1 d R . .
C21F C 1.06740(14) 0.41145(16) 0.2853(3) 0.159(8) Uani 1 1 d R B .
N3F N 1.08316(14) 0.43423(16) 0.2970(3) 0.121(5) Uani 1 1 d R . .
C22F C 1.08170(14) 0.45135(16) 0.2653(3) 0.171(9) Uani 1 1 d R B .
C23F C 1.06447(14) 0.44568(16) 0.2219(3) 0.158(9) Uani 1 1 d R . .
C24F C 1.04872(14) 0.42290(16) 0.2102(3) 0.193(12) Uani 1 1 d R B .
O1G O 0.93273(19) 0.3982(2) 0.5038(6) 0.144(4) Uani 1 1 d . . .
O2G O 1.03235(19) 0.43880(19) 0.4111(5) 0.123(4) Uani 1 1 d . . .
O3G O 1.01307(19) 0.46121(19) 0.6741(4) 0.131(4) Uani 1 1 d . . .
N4G N 0.9464(3) 0.4128(3) 0.3980(6) 0.123(5) Uani 1 1 d . . .
N5G N 1.0533(3) 0.4724(2) 0.4711(7) 0.130(5) Uani 1 1 d . . .
N6G N 0.97798(11) 0.45817(10) 0.6696(3) 0.101(4) Uani 1 1 d . . .
C1G C 0.97067(11) 0.42643(10) 0.4930(3) 0.162(9) Uani 1 1 d R . .
C2G C 0.99028(11) 0.43286(10) 0.4583(3) 0.096(5) Uani 1 1 d R . .
C3G C 1.01164(11) 0.44692(10) 0.4843(3) 0.118(6) Uani 1 1 d R . .
C4G C 1.01338(11) 0.45455(10) 0.5450(3) 0.101(5) Uani 1 1 d R . .
C5G C 0.99376(11) 0.44812(10) 0.5797(3) 0.093(5) Uani 1 1 d R . .
C6G C 0.97240(11) 0.43406(10) 0.5537(3) 0.097(5) Uani 1 1 d R . .
C7G C 0.94769(11) 0.41134(13) 0.4632(4) 0.111(6) Uani 1 1 d . . .
C8G C 0.92731(11) 0.39621(13) 0.3680(4) 0.119(7) Uani 1 1 d R . .
C9G C 0.91169(11) 0.37536(13) 0.3941(4) 0.112(6) Uani 1 1 d R A .
N1G N 0.89438(11) 0.35870(13) 0.3578(4) 0.099(4) Uani 1 1 d R . .
C10G C 0.89267(11) 0.36289(13) 0.2955(4) 0.136(7) Uani 1 1 d R A .
C11G C 0.90829(11) 0.38375(13) 0.2694(4) 0.132(7) Uani 1 1 d R . .
C12G C 0.92561(11) 0.40041(13) 0.3056(4) 0.118(6) Uani 1 1 d R A .
C13G C 1.03423(13) 0.45315(12) 0.4506(3) 0.110(6) Uani 1 1 d . . .
C14G C 1.07556(13) 0.47786(12) 0.4458(3) 0.082(4) Uani 1 1 d R . .
C15G C 1.07984(13) 0.46138(12) 0.4211(3) 0.101(5) Uiso 1 1 d R B .
N2G N 1.10151(13) 0.46755(12) 0.3994(3) 0.110(4) Uiso 1 1 d R . .
C16G C 1.11890(13) 0.49019(12) 0.4023(3) 0.120(6) Uani 1 1 d R B .
C17G C 1.11462(13) 0.50666(12) 0.4270(3) 0.132(6) Uani 1 1 d R . .
C18G C 1.09295(13) 0.50050(12) 0.4488(3) 0.139(7) Uani 1 1 d R B .
C19G C 0.99503(10) 0.45609(8) 0.6390(4) 0.109(6) Uani 1 1 d . . .
C20G C 0.97536(10) 0.46062(8) 0.7337(4) 0.109(6) Uani 1 1 d R . .
C21G C 0.98780(10) 0.45791(8) 0.7809(4) 0.090(4) Uani 1 1 d R . .
N3G N 0.98342(10) 0.46055(8) 0.8424(4) 0.082(3) Uani 1 1 d R . .
C22G C 0.96660(10) 0.46590(8) 0.8567(4) 0.151(9) Uani 1 1 d R . .
C23G C 0.95416(10) 0.46861(8) 0.8095(4) 0.136(7) Uani 1 1 d R . .
C24G C 0.95854(10) 0.46597(8) 0.7480(4) 0.123(6) Uani 1 1 d R . .
O1H O 0.86758(18) 0.3715(2) 0.6867(5) 0.134(4) Uani 1 1 d . . .
O2H O 0.89013(18) 0.35582(19) 0.9605(6) 0.134(4) Uani 1 1 d . . .
O3H O 0.82669(13) 0.27314(15) 0.7913(4) 0.094(3) Uani 1 1 d . . .
N4H N 0.86692(18) 0.3407(2) 0.6313(6) 0.098(4) Uani 1 1 d . . .
N5H N 0.9172(2) 0.3826(2) 0.8875(7) 0.111(5) Uani 1 1 d . . .
N6H N 0.85373(8) 0.27305(11) 0.8521(3) 0.101(4) Uani 1 1 d . . .
C1H C 0.86967(8) 0.34192(11) 0.7463(3) 0.080(4) Uiso 1 1 d R . .
C2H C 0.88283(8) 0.35625(11) 0.7942(3) 0.084(4) Uani 1 1 d R . .
C3H C 0.88376(8) 0.34709(11) 0.8511(3) 0.104(6) Uani 1 1 d R . .
C4H C 0.87151(8) 0.32360(11) 0.8602(3) 0.090(4) Uani 1 1 d R . .
C5H C 0.85834(8) 0.30928(11) 0.8124(3) 0.074(4) Uani 1 1 d R . .
C6H C 0.85742(8) 0.31844(11) 0.7554(3) 0.081(4) Uani 1 1 d R . .
C7H C 0.87123(8) 0.35418(10) 0.6860(3) 0.142(7) Uani 1 1 d . . .
C8H C 0.86249(8) 0.34893(10) 0.5735(3) 0.106(5) Uani 1 1 d R . .
C9H C 0.86783(8) 0.33845(10) 0.5261(3) 0.057(3) Uani 1 1 d R A .
N1H N 0.86578(8) 0.34328(10) 0.4646(3) 0.087(3) Uani 1 1 d R . .
C10H C 0.85841(8) 0.35860(10) 0.4504(3) 0.111(5) Uani 1 1 d R A .
C11H C 0.85308(8) 0.36908(10) 0.4978(3) 0.129(7) Uani 1 1 d R . .
C12H C 0.85512(8) 0.36425(10) 0.5593(3) 0.089(4) Uani 1 1 d R A .
C13H C 0.89831(12) 0.36344(11) 0.9009(4) 0.120(7) Uani 1 1 d . . .
C14H C 0.93034(12) 0.39805(11) 0.9312(4) 0.095(5) Uani 1 1 d R . .
C15H C 0.95203(12) 0.41232(11) 0.9075(4) 0.104(5) Uani 1 1 d R . .
N2H N 0.96880(12) 0.42906(11) 0.9448(4) 0.084(3) Uani 1 1 d R . .
C16H C 0.96387(12) 0.43154(11) 1.0059(4) 0.109(5) Uani 1 1 d R . .
C17H C 0.94217(12) 0.41728(11) 1.0297(4) 0.136(7) Uani 1 1 d R . .
C18H C 0.92540(12) 0.40054(11) 0.9924(4) 0.120(6) Uani 1 1 d R . .
C19H C 0.84410(11) 0.28264(13) 0.8204(3) 0.097(5) Uiso 1 1 d . . .
C20H C 0.84511(11) 0.25080(13) 0.8622(3) 0.137(8) Uani 1 1 d R . .
C21H C 0.86086(11) 0.24545(13) 0.8868(3) 0.094(5) Uani 1 1 d R . .
N3H N 0.85551(11) 0.22279(13) 0.8908(3) 0.076(3) Uani 1 1 d R . .
C22H C 0.83441(11) 0.20549(13) 0.8703(3) 0.121(6) Uani 1 1 d R . .
C23H C 0.81866(11) 0.21084(13) 0.8458(3) 0.160(8) Uani 1 1 d R . .
C24H C 0.82401(11) 0.23350(13) 0.8418(3) 0.149(8) Uani 1 1 d R . .
Cu7 Cu 0.30489(3) 0.53741(3) 0.25800(8) 0.0868(5) Uani 1 1 d . C .
Cu8 Cu 0.19876(3) 0.56355(3) -0.27685(8) 0.0975(6) Uani 1 1 d . . .
S13 S 0.29503(7) 0.48670(8) 0.3534(3) 0.1234(16) Uani 1 1 d . . .
O13 O 0.29842(17) 0.50772(15) 0.3182(5) 0.114(3) Uani 1 1 d . . .
C25 C 0.2652(4) 0.4667(4) 0.3584(11) 0.188(9) Uiso 1 1 d . . .
C26 C 0.3002(2) 0.4947(2) 0.4299(7) 0.103(5) Uiso 1 1 d . . .
S14 S 0.15041(9) 0.51881(8) -0.3703(2) 0.1295(17) Uani 1 1 d . . .
O14 O 0.16949(16) 0.54080(18) -0.3434(4) 0.104(3) Uani 1 1 d . . .
C27 C 0.1266(3) 0.5233(3) -0.3820(10) 0.167(7) Uiso 1 1 d . . .
C28 C 0.1587(3) 0.5176(3) -0.4521(10) 0.154(7) Uiso 1 1 d . . .
O1J O 0.2884(2) 0.5366(3) 0.0273(6) 0.158(5) Uani 1 1 d . . .
O2J O 0.26868(19) 0.55323(19) -0.2462(4) 0.122(4) Uani 1 1 d . . .
O3J O 0.3673(2) 0.57954(18) -0.1620(4) 0.130(4) Uani 1 1 d . . .
N4J N 0.3192(2) 0.5295(2) 0.0129(6) 0.105(4) Uani 1 1 d . . .
N5J N 0.2427(2) 0.5236(3) -0.1747(7) 0.151(7) Uani 1 1 d . . .
N6J N 0.34937(7) 0.56613(6) -0.2618(2) 0.095(4) Uani 1 1 d . . .
C1J C 0.30476(7) 0.54280(6) -0.0745(2) 0.148(8) Uani 1 1 d R . .
C2J C 0.28468(7) 0.53792(6) -0.1049(2) 0.110(6) Uani 1 1 d R . .
C3J C 0.28515(7) 0.54309(6) -0.1674(2) 0.099(5) Uani 1 1 d R . .
C4J C 0.30569(7) 0.55313(6) -0.1997(2) 0.089(4) Uani 1 1 d R . .
C5J C 0.32577(7) 0.55800(6) -0.1694(2) 0.100(5) Uiso 1 1 d R . .
C6J C 0.32530(7) 0.55284(6) -0.1068(2) 0.114(6) Uani 1 1 d R . .
C7J C 0.30195(7) 0.53172(6) 0.0006(2) 0.154(9) Uani 1 1 d R . .
C8J C 0.32303(7) 0.52591(6) 0.0803(2) 0.108(5) Uani 1 1 d R . .
C9J C 0.31325(7) 0.53056(6) 0.1308(2) 0.093(5) Uani 1 1 d R . .
N1J N 0.31815(7) 0.52668(6) 0.1907(2) 0.089(4) Uani 1 1 d R . .
C10J C 0.33283(7) 0.51815(6) 0.2000(2) 0.091(4) Uiso 1 1 d R . .
C11J C 0.34261(7) 0.51350(6) 0.1494(2) 0.097(4) Uiso 1 1 d R . .
C12J C 0.33771(7) 0.51739(6) 0.0896(2) 0.103(5) Uani 1 1 d R . .
C13J C 0.26224(17) 0.53886(13) -0.2015(3) 0.157(10) Uani 1 1 d . . .
C14J C 0.22347(17) 0.52314(13) -0.1921(3) 0.128(6) Uani 1 1 d R . .
C15J C 0.22244(17) 0.54076(13) -0.2223(3) 0.121(6) Uani 1 1 d R . .
N2J N 0.20157(17) 0.53767(13) -0.2425(3) 0.097(4) Uani 1 1 d R . .
C16J C 0.18171(17) 0.51696(13) -0.2324(3) 0.145(7) Uani 1 1 d R . .
C17J C 0.18273(17) 0.49934(13) -0.2022(3) 0.160(8) Uani 1 1 d R . .
C18J C 0.20361(17) 0.50243(13) -0.1821(3) 0.171(9) Uani 1 1 d R . .
C19J C 0.35111(12) 0.56823(10) -0.1977(3) 0.110(5) Uani 1 1 d . . .
C20J C 0.37057(12) 0.57901(10) -0.2907(3) 0.088(4) Uiso 1 1 d R . .
C21J C 0.39174(12) 0.59619(10) -0.2703(3) 0.107(5) Uani 1 1 d R . .
N3J N 0.41003(12) 0.60624(10) -0.3112(3) 0.124(5) Uani 1 1 d R . .
C22J C 0.40715(12) 0.59910(10) -0.3727(3) 0.124(6) Uiso 1 1 d R . .
C23J C 0.38598(12) 0.58192(10) -0.3932(3) 0.105(5) Uani 1 1 d R . .
C24J C 0.36769(12) 0.57188(10) -0.3522(3) 0.104(5) Uani 1 1 d R . .
O1K O 0.1996(2) 0.5113(3) 0.1052(7) 0.255(9) Uani 1 1 d . . .
O2K O 0.1542(2) 0.5685(3) 0.0245(6) 0.208(7) Uani 1 1 d . . .
O3K O 0.1957(2) 0.5766(2) 0.2905(7) 0.191(6) Uani 1 1 d . . .
N4K N 0.2317(2) 0.5349(3) 0.1758(7) 0.175(7) Uani 1 1 d . . .
N5K N 0.1835(3) 0.5594(2) -0.0327(6) 0.192(9) Uani 1 1 d . . .
N6K N 0.19828(9) 0.60708(9) 0.2302(2) 0.134(5) Uani 1 1 d . . .
C1K C 0.20681(9) 0.54785(9) 0.1168(2) 0.43(3) Uani 1 1 d R . .
C2K C 0.19562(9) 0.54921(9) 0.0643(2) 0.50(4) Uiso 1 1 d R . .
C3K C 0.18581(9) 0.56301(9) 0.0646(2) 0.269(14) Uiso 1 1 d R . .
C4K C 0.18718(9) 0.57544(9) 0.1174(2) 0.190(11) Uani 1 1 d R . .
C5K C 0.19837(9) 0.57408(9) 0.1698(2) 0.264(16) Uani 1 1 d R . .
C6K C 0.20818(9) 0.56028(9) 0.1696(2) 0.175(9) Uiso 1 1 d R . .
C7K C 0.21730(9) 0.52906(9) 0.1406(2) 0.245(14) Uiso 1 1 d R . .
C8K C 0.24180(9) 0.52041(9) 0.1799(2) 0.093(5) Uani 1 1 d R . .
C9K C 0.26326(9) 0.53278(9) 0.2069(2) 0.085(4) Uani 1 1 d R . .
N1K N 0.27515(9) 0.52182(9) 0.2242(2) 0.085(3) Uani 1 1 d R . .
C10K C 0.26557(9) 0.49849(9) 0.2146(2) 0.115(6) Uani 1 1 d R . .
C11K C 0.24411(9) 0.48612(9) 0.1876(2) 0.177(10) Uani 1 1 d R . .
C12K C 0.23222(9) 0.49708(9) 0.1703(2) 0.113(5) Uani 1 1 d R . .
C13K C 0.16911(12) 0.55822(10) 0.0164(3) 0.207(10) Uiso 1 1 d . . .
C14K C 0.17097(12) 0.55933(10) -0.0990(3) 0.143(7) Uani 1 1 d R . .
C15K C 0.18571(12) 0.56157(10) -0.1469(3) 0.117(5) Uiso 1 1 d R . .
N2K N 0.17909(12) 0.56098(10) -0.2082(3) 0.102(4) Uani 1 1 d R . .
C16K C 0.15772(12) 0.55814(10) -0.2216(3) 0.121(6) Uiso 1 1 d R . .
C17K C 0.14298(12) 0.55590(10) -0.1737(3) 0.234(12) Uani 1 1 d R . .
C18K C 0.14960(12) 0.55649(10) -0.1124(3) 0.114(5) Uiso 1 1 d R . .
C19K C 0.19767(9) 0.58805(12) 0.2322(3) 0.168(8) Uiso 1 1 d . . .
C20K C 0.20197(9) 0.62349(12) 0.2715(3) 0.129(7) Uani 1 1 d R . .
C21K C 0.21429(9) 0.64601(12) 0.2515(3) 0.083(4) Uani 1 1 d R . .
N3K N 0.21838(9) 0.66367(12) 0.2919(3) 0.086(3) Uani 1 1 d R . .
C22K C 0.21016(9) 0.65880(12) 0.3523(3) 0.104(5) Uani 1 1 d R . .
C23K C 0.19785(9) 0.63627(12) 0.3723(3) 0.092(5) Uani 1 1 d R . .
C24K C 0.19376(9) 0.61862(12) 0.3319(3) 0.131(7) Uani 1 1 d R . .
O1L O 0.2828(3) 0.61097(19) 0.4336(5) 0.138(5) Uani 1 1 d . . .
N4L N 0.3110(2) 0.6045(3) 0.3925(6) 0.120(5) Uiso 1 1 d . . .
C1L C 0.3202(4) 0.6437(4) 0.4137(6) 0.104(6) Uani 1 1 d . . .
C2L C 0.3439(5) 0.6540(4) 0.4141(7) 0.117(6) Uani 1 1 d . . .
C7L C 0.3028(4) 0.6185(4) 0.4150(12) 0.158(10) Uani 1 1 d . . .
C8L C 0.2986(3) 0.5815(3) 0.3834(8) 0.106(5) Uiso 1 1 d . . .
C9L C 0.3065(2) 0.5722(3) 0.3374(7) 0.095(5) Uani 1 1 d . . .
N1L N 0.2950(2) 0.5493(3) 0.3272(5) 0.098(4) Uani 1 1 d . . .
C10L C 0.2751(3) 0.5340(3) 0.3635(7) 0.116(6) Uani 1 1 d . . .
C11L C 0.2675(3) 0.5433(3) 0.4053(9) 0.127(6) Uiso 1 1 d . . .
C12L C 0.2780(5) 0.5657(4) 0.4194(10) 0.195(10) Uani 1 1 d . . .
O1M O 0.30128(17) 0.6056(2) -0.4436(5) 0.125(4) Uani 1 1 d . . .
N4M N 0.2753(2) 0.6165(3) -0.3948(6) 0.139(6) Uani 1 1 d . . .
C1M C 0.3150(3) 0.6443(2) -0.4180(10) 0.141(7) Uiso 1 1 d D . .
C2M C 0.3372(3) 0.6484(3) -0.4180(6) 0.107(5) Uani 1 1 d D . .
C7M C 0.29562(12) 0.62153(13) -0.4191(3) 0.165(10) Uani 1 1 d D . .
C8M C 0.25599(12) 0.59399(13) -0.3979(3) 0.127(6) Uiso 1 1 d R . .
C9M C 0.24269(12) 0.58940(13) -0.3449(3) 0.103(5) Uani 1 1 d R . .
N1M N 0.22425(12) 0.56763(13) -0.3351(3) 0.096(4) Uiso 1 1 d R . .
C10M C 0.21913(12) 0.55045(13) -0.3782(3) 0.136(6) Uani 1 1 d R . .
C11M C 0.23243(12) 0.55504(13) -0.4312(3) 0.240(14) Uani 1 1 d R . .
C12M C 0.25087(12) 0.57681(13) -0.4410(3) 0.273(14) Uiso 1 1 d R . .
Cu9 Cu 0.02547(3) 0.12987(3) 0.73302(8) 0.0860(5) Uani 1 1 d . . .
S17 S 0.03088(7) 0.17894(8) 0.6398(2) 0.1126(14) Uani 1 1 d . . .
O17 O 0.03170(15) 0.15948(15) 0.6677(4) 0.103(3) Uani 1 1 d . . .
C33 C 0.0239(3) 0.1717(3) 0.5626(8) 0.127(6) Uiso 1 1 d . . .
C34 C 0.0606(3) 0.2032(3) 0.6335(9) 0.155(7) Uiso 1 1 d . . .
O1N O 0.0492(3) 0.1580(3) 0.9789(10) 0.269(8) Uiso 1 1 d . . .
O2N O -0.0209(3) 0.0943(3) 1.2513(9) 0.248(7) Uiso 1 1 d . . .
O3N O 0.0861(3) 0.1401(3) 1.1622(10) 0.279(9) Uiso 1 1 d . . .
N4N N 0.0122(3) 0.1356(3) 0.9725(10) 0.213(8) Uiso 1 1 d . . .
N5N N -0.0387(4) 0.0946(3) 1.1603(10) 0.230(9) Uiso 1 1 d . . .
N6N N 0.06188(15) 0.12415(12) 1.2347(5) 0.205(8) Uiso 1 1 d . . .
C1N C 0.02498(15) 0.12785(12) 1.0657(5) 0.223(11) Uiso 1 1 d R . .
C2N C 0.00442(15) 0.11851(12) 1.0977(5) 0.166(7) Uiso 1 1 d R . .
C3N C 0.00319(15) 0.11137(12) 1.1588(5) 0.178(8) Uiso 1 1 d R . .
C4N C 0.02254(15) 0.11355(12) 1.1878(5) 0.150(7) Uiso 1 1 d R . .
C5N C 0.04310(15) 0.12288(12) 1.1558(5) 0.245(12) Uiso 1 1 d R . .
C6N C 0.04433(15) 0.13003(12) 1.0948(5) 0.178(8) Uiso 1 1 d R . .
C7N C 0.03033(13) 0.13500(12) 0.9916(4) 0.211(10) Uiso 1 1 d . . .
C8N C 0.00639(13) 0.14002(12) 0.9039(4) 0.199(9) Uiso 1 1 d R . .
C9N C 0.01621(13) 0.13462(12) 0.8549(4) 0.193(9) Uiso 1 1 d R . .
N1N N 0.01080(13) 0.13691(12) 0.7941(4) 0.223(8) Uiso 1 1 d R . .
C10N C -0.00442(13) 0.14460(12) 0.7823(4) 0.120(5) Uiso 1 1 d R . .
C11N C -0.01424(13) 0.15001(12) 0.8313(4) 0.132(6) Uiso 1 1 d R . .
C12N C -0.00883(13) 0.14772(12) 0.8921(4) 0.238(11) Uiso 1 1 d R . .
C13N C -0.02278(16) 0.09713(16) 1.1954(4) 0.149(7) Uiso 1 1 d . . .
C14N C -0.06043(16) 0.08632(16) 1.1876(4) 0.233(11) Uiso 1 1 d R . .
C15N C -0.07121(16) 0.06450(16) 1.2130(4) 0.174(8) Uiso 1 1 d R . .
N2N N -0.09457(16) 0.05324(16) 1.2242(4) 0.290(12) Uiso 1 1 d R . .
C16N C -0.10714(16) 0.06379(16) 1.2101(4) 0.123(5) Uiso 1 1 d R . .
C17N C -0.09636(16) 0.08560(16) 1.1848(4) 0.37(2) Uiso 1 1 d R . .
C18N C -0.07300(16) 0.09687(16) 1.1735(4) 0.269(13) Uiso 1 1 d R . .
C19N C 0.06418(16) 0.12779(15) 1.1862(6) 0.35(2) Uiso 1 1 d . . .
C20N C 0.08454(16) 0.12773(15) 1.2841(6) 0.36(2) Uiso 1 1 d R . .
C21N C 0.09603(16) 0.11630(15) 1.2674(6) 0.306(16) Uiso 1 1 d R . .
N3N N 0.11056(16) 0.11441(15) 1.3096(6) 0.241(9) Uiso 1 1 d R . .
C22N C 0.11358(16) 0.12395(15) 1.3684(6) 0.123(5) Uiso 1 1 d R . .
C23N C 0.10209(16) 0.13538(15) 1.3850(6) 0.258(13) Uiso 1 1 d R . .
C24N C 0.08756(16) 0.13727(15) 1.3429(6) 0.289(15) Uiso 1 1 d R . .
O1O O 0.0504(3) 0.0580(4) 0.5508(11) 0.339(12) Uiso 1 1 d D . .
N4O N 0.0177(3) 0.0582(2) 0.6032(9) 0.216(8) Uiso 1 1 d D . .
C1O C 0.0157(2) 0.02352(17) 0.5802(7) 0.113(5) Uiso 1 1 d D . .
C2O C -0.0079(2) 0.0154(2) 0.5808(7) 0.100(5) Uiso 1 1 d D . .
C7O C 0.03050(2) 0.04757(2) 0.56988(6) 0.226(11) Uiso 1 1 d D . .
C8O C 0.02972(2) 0.08353(2) 0.61554(6) 0.254(13) Uiso 1 1 d RD . .
C9O C 0.01842(2) 0.09152(2) 0.65275(6) 0.204(9) Uiso 1 1 d R . .
N1O N 0.02903(2) 0.11449(2) 0.66868(6) 0.43(2) Uiso 1 1 d R . .
C10O C 0.05094(2) 0.12947(2) 0.64740(6) 0.271(13) Uiso 1 1 d R . .
C11O C 0.06224(2) 0.12149(2) 0.61018(6) 0.57(4) Uiso 1 1 d R . .
C12O C 0.05163(2) 0.09852(2) 0.59426(6) 0.52(3) Uiso 1 1 d R . .
Cl13 Cl 1.16410(2) 0.33049(2) 0.98910(6) 0.414(8) Uani 1 1 d RD . .
O113 O 1.14960(2) 0.33349(2) 0.97200(6) 0.125(3) Uiso 1 1 d RD . .
O213 O 1.18150(2) 0.33529(2) 1.01490(6) 0.116(3) Uiso 1 1 d RD . .
O313 O 1.15040(2) 0.30389(2) 0.99570(6) 0.306(11) Uiso 1 1 d RD . .
O413 O 1.17472(2) 0.32996(2) 0.93164(6) 0.52(2) Uiso 1 1 d RD . .
Cl20 Cl 0.82557(2) 0.33481(2) 0.30886(6) 0.169(2) Uani 1 1 d RD A .
O120 O 0.84007(2) 0.32491(2) 0.32576(6) 0.147(4) Uiso 1 1 d RD . .
O220 O 0.80817(2) 0.32071(2) 0.27336(6) 0.195(6) Uiso 1 1 d RD . .
O320 O 0.81357(2) 0.32841(2) 0.37436(6) 0.216(6) Uiso 1 1 d RD . .
O420 O 0.83491(2) 0.35573(2) 0.29902(6) 0.244(8) Uiso 1 1 d RD . .
S10 S 0.99648(2) 0.15972(2) 0.30416(6) 0.289(4) Uiso 1 1 d RD . .
O10 O 0.99268(2) 0.17922(2) 0.31206(6) 0.212(6) Uiso 1 1 d RD . .
S11 S 1.14940(2) 0.48619(2) 0.24020(6) 0.451(9) Uiso 1 1 d RD B .
O11 O 1.13880(2) 0.47389(2) 0.29390(6) 0.186(5) Uiso 1 1 d RD . .
C21 C 1.14640(2) 0.50759(2) 0.23010(6) 0.43(3) Uiso 1 1 d RD . .
C22 C 1.17382(2) 0.48626(2) 0.24054(6) 0.44(3) Uiso 1 1 d RD . .
S12 S 1.00000(2) 0.50000(2) 1.00000(6) 0.274(6) Uiso 1 2 d SRD . .
O12 O 1.00041(2) 0.48608(2) 0.97770(6) 0.214(6) Uiso 1 1 d RD . .
C23 C 1.00041(2) 0.48718(2) 1.07310(6) 0.138(6) Uiso 1 1 d RD . .
C24 C 1.02791(2) 0.51288(2) 0.99360(6) 0.202(9) Uiso 1 1 d RD . .
S15 S 0.31880(2) 0.59268(2) 0.16780(6) 0.093(2) Uiso 0.50 1 d PRD C 1
O15 O 0.31200(2) 0.57109(2) 0.19640(6) 0.100(3) Uiso 1 1 d RD . .
C29 C 0.33580(2) 0.59609(2) 0.10440(6) 0.135(12) Uiso 0.50 1 d PRD C 1
C30 C 0.29550(2) 0.58419(2) 0.10910(6) 0.117(10) Uiso 0.50 1 d PRD C 1
C292 C 0.32542(2) 0.60006(2) 0.20564(6) 0.060(6) Uiso 0.50 1 d PRD C 2
C302 C 0.31465(2) 0.59552(2) 0.14024(6) 0.150(14) Uiso 0.50 1 d PRD C 2
S16 S 0.25461(2) 0.60479(2) -0.16730(6) 0.183(2) Uiso 1 1 d RD . .
O16 O 0.23442(2) 0.59079(2) -0.20390(6) 0.108(3) Uiso 1 1 d RD . .
C31 C 0.26011(2) 0.58159(2) -0.13870(6) 0.38(2) Uiso 1 1 d RD . .
C32 C 0.24637(2) 0.61007(2) -0.09936(6) 0.307(16) Uiso 1 1 d RD . .
S181 S 0.01367(2) 0.07451(2) 0.83566(6) 0.150(2) Uiso 0.80 1 d PRD D 1
S182 S 0.00631(2) 0.06623(2) 0.79982(6) 0.227(15) Uiso 0.20 1 d PRD D 2
O18 O 0.01927(2) 0.09561(2) 0.80426(6) 0.094(3) Uiso 1 1 d RD . .
C35 C -0.00843(2) 0.07151(2) 0.89216(6) 0.297(15) Uiso 1 1 d RD . .
Cl1 Cl 0.87506(2) 0.28952(2) 0.63028(6) 0.207(3) Uani 1 1 d RD . .
O1P O 0.87059(2) 0.28083(2) 0.68768(6) 0.183(5) Uiso 1 1 d RD . .
O2P O 0.89164(2) 0.31751(2) 0.63579(6) 0.194(6) Uiso 1 1 d RD . .
O3P O 0.85691(2) 0.29174(2) 0.60484(6) 0.205(6) Uiso 1 1 d RD . .
O4P O 0.88688(2) 0.28099(2) 0.59568(6) 0.219(6) Uiso 1 1 d RD . .
Cl2 Cl 0.23589(2) 0.09100(2) 0.15613(6) 0.1443(17) Uani 1 1 d RD . .
O5P O 0.25960(2) 0.10165(2) 0.16574(6) 0.125(4) Uiso 1 1 d RD . .
O6P O 0.22907(2) 0.10372(2) 0.11872(6) 0.187(5) Uiso 1 1 d RD . .
O7P O 0.22398(2) 0.08502(2) 0.21059(6) 0.284(10) Uiso 1 1 d RD . .
O8P O 0.22543(2) 0.06387(2) 0.15433(6) 0.349(12) Uiso 1 1 d RD . .
Cl3 Cl 0.07299(2) 0.44734(2) 0.60761(6) 0.207(3) Uani 1 1 d RD . .
O9P O 0.09401(2) 0.46550(2) 0.58993(6) 0.185(5) Uiso 1 1 d RD . .
O10P O 0.05472(2) 0.43819(2) 0.57217(6) 0.235(7) Uiso 1 1 d RD . .
O11P O 0.08385(2) 0.42974(2) 0.61872(6) 0.249(8) Uiso 1 1 d RD . .
O12P O 0.06972(2) 0.45463(2) 0.67556(6) 0.251(8) Uiso 1 1 d RD . .
Cl4 Cl 0.33631(2) 0.00827(2) 0.45171(6) 0.243(4) Uani 1 1 d RD . .
O13P O 0.32520(2) 0.02054(2) 0.47691(6) 0.228(7) Uiso 1 1 d RD . .
O14P O 0.32957(2) 0.00434(2) 0.38741(6) 0.293(11) Uiso 1 1 d RD . .
O15P O 0.35829(2) 0.01509(2) 0.48744(6) 0.216(6) Uiso 1 1 d RD . .
O16P O 0.32284(2) -0.01402(2) 0.47286(6) 0.256(8) Uiso 1 1 d RD . .
Cl5 Cl 0.09282(2) 0.57753(2) 0.84526(6) 0.1358(17) Uani 1 1 d RD . .
O17P O 0.06856(2) 0.56796(2) 0.82362(6) 0.136(4) Uiso 1 1 d RD . .
O18P O 0.10921(2) 0.58455(2) 0.78731(6) 0.199(6) Uiso 1 1 d RD . .
O19P O 0.09805(2) 0.56482(2) 0.88688(6) 0.183(5) Uiso 1 1 d RD . .
O20P O 0.09975(2) 0.59941(2) 0.87561(6) 0.161(5) Uiso 1 1 d RD . .
Cl6 Cl 0.15631(2) 0.57318(2) 0.46396(6) 0.0914(11) Uani 1 1 d RD . .
O21P O 0.13420(2) 0.56064(2) 0.49249(6) 0.150(4) Uiso 1 1 d RD . .
O22P O 0.17223(2) 0.56976(2) 0.49725(6) 0.155(4) Uiso 1 1 d RD . .
O23P O 0.15597(2) 0.56493(2) 0.40148(6) 0.156(4) Uiso 1 1 d RD . .
O24P O 0.16371(2) 0.59705(2) 0.46870(6) 0.177(5) Uiso 1 1 d RD . .
Cl7 Cl 0.03713(2) 0.25124(2) 0.61697(6) 0.197(3) Uani 1 1 d RD . .
O25P O 0.04106(2) 0.26857(2) 0.57743(6) 0.187(5) Uiso 1 1 d RD . .
O26P O 0.04750(2) 0.25681(2) 0.67760(6) 0.231(7) Uiso 1 1 d RD . .
O27P O 0.03238(2) 0.22749(2) 0.58907(6) 0.234(7) Uiso 1 1 d RD . .
O28P O 0.01057(2) 0.24310(2) 0.62539(6) 0.280(9) Uiso 1 1 d RD . .
Cl8 Cl 0.17764(2) 0.09284(2) 0.52089(6) 0.185(3) Uani 1 1 d RD . .
O29P O 0.20100(2) 0.10617(2) 0.50761(6) 0.180(5) Uiso 1 1 d RD . .
O30P O 0.16461(2) 0.10209(2) 0.49528(6) 0.177(5) Uiso 1 1 d RD . .
O31P O 0.16850(2) 0.06998(2) 0.51878(6) 0.151(4) Uiso 1 1 d RD . .
O32P O 0.17197(2) 0.10112(2) 0.59490(6) 0.394(15) Uiso 1 1 d RD . .
Cl9 Cl 0.23660(2) 0.48834(2) 0.49956(6) 0.208(3) Uani 1 1 d RD . .
O33P O 0.22596(2) 0.50081(2) 0.50611(6) 0.133(4) Uiso 1 1 d RD . .
O34P O 0.25964(2) 0.50065(2) 0.50171(6) 0.166(5) Uiso 1 1 d RD . .
O35P O 0.22390(2) 0.46811(2) 0.49810(6) 0.201(6) Uiso 1 1 d RD . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
N1A Cu1 N1B 90.6(3) . .
N1A Cu1 N1D 93.0(2) . .
N1B Cu1 N1D 172.8(3) . .
N1A Cu1 N1C 176.0(2) . .
N1B Cu1 N1C 86.6(2) . .
N1D Cu1 N1C 89.5(2) . .
N1A Cu1 O1 89.1(3) . .
N1B Cu1 O1 94.6(3) . .
N1D Cu1 O1 91.7(3) . .
N1C Cu1 O1 93.9(3) . .
N1A Cu1 O113 89.91(18) . .
N1B Cu1 O113 83.5(2) . .
N1D Cu1 O113 90.33(19) . .
N1C Cu1 O113 86.95(18) . .
O1 Cu1 O113 177.8(2) . .
N1G Cu2 N1F 87.1(3) . .
N1G Cu2 N1H 88.9(3) . .
N1F Cu2 N1H 175.0(3) . .
N1G Cu2 N1E 175.1(3) . .
N1F Cu2 N1E 93.2(3) . .
N1H Cu2 N1E 90.5(3) . .
N1G Cu2 O2 93.8(3) . .
N1F Cu2 O2 92.4(3) . .
N1H Cu2 O2 90.8(3) . .
N1E Cu2 O2 91.1(3) . .
N1G Cu2 O120 88.9(2) . .
N1F Cu2 O120 86.1(2) . .
N1H Cu2 O120 90.81(18) . .
N1E Cu2 O120 86.2(2) . .
O2 Cu2 O120 176.8(3) . .
N2A Cu3 N3H 177.7(3) . .
N2A Cu3 N2E 86.8(2) . .
N3H Cu3 N2E 90.9(3) . .
N2A Cu3 N3D 93.5(2) . .
N3H Cu3 N3D 88.8(3) . .
N2E Cu3 N3D 171.3(3) . .
N2A Cu3 O3 89.4(3) . .
N3H Cu3 O3 90.8(3) . .
N2E Cu3 O3 94.3(3) . .
N3D Cu3 O3 94.4(3) . .
N2A Cu3 O213 92.85(15) . 6_547
N3H Cu3 O213 86.76(19) . 6_547
N2E Cu3 O213 82.2(2) . 6_547
N3D Cu3 O213 89.1(2) . 6_547
O3 Cu3 O213 175.7(2) . 6_547
N2F Cu4 N3E 91.9(3) . .
N2F Cu4 N3A 176.7(3) . .
N3E Cu4 N3A 85.5(3) . .
N2F Cu4 N2B 90.8(3) . .
N3E Cu4 N2B 175.3(4) . .
N3A Cu4 N2B 91.6(3) . .
N2F Cu4 O4 93.6(4) . .
N3E Cu4 O4 95.7(4) . .
N3A Cu4 O4 88.8(3) . .
N2B Cu4 O4 87.9(4) . .
N2F Cu4 O10 85.0(2) . .
N3E Cu4 O10 85.6(3) . .
N3A Cu4 O10 92.70(15) . .
N2B Cu4 O10 90.9(3) . .
O4 Cu4 O10 178.1(3) . .
N2G Cu5 N2C 88.6(3) . .
N2G Cu5 N3B 178.3(3) . .
N2C Cu5 N3B 89.8(3) . .
N2G Cu5 N3F 92.6(3) . .
N2C Cu5 N3F 172.1(3) . .
N3B Cu5 N3F 89.0(3) . .
N2G Cu5 O5 88.5(3) . .
N2C Cu5 O5 82.9(3) . .
N3B Cu5 O5 91.3(3) . .
N3F Cu5 O5 89.3(3) . .
N2G Cu5 O11 92.3(2) . .
N2C Cu5 O11 94.9(2) . .
N3B Cu5 O11 87.8(2) . .
N3F Cu5 O11 92.8(2) . .
O5 Cu5 O11 177.7(3) . .
N3C Cu6 N3G 90.1(3) . .
N3C Cu6 N2H 178.6(3) . .
N3G Cu6 N2H 88.5(3) . .
N3C Cu6 N2D 92.6(3) . .
N3G Cu6 N2D 170.8(3) . .
N2H Cu6 N2D 88.8(3) . .
N3C Cu6 O6 88.6(3) . .
N3G Cu6 O6 93.7(3) . .
N2H Cu6 O6 91.3(3) . .
N2D Cu6 O6 95.2(3) . .
N3C Cu6 O12 90.5(2) . .
N3G Cu6 O12 85.1(2) . .
N2H Cu6 O12 89.5(2) . .
N2D Cu6 O12 86.1(2) . .
O6 Cu6 O12 178.5(2) . .
O1 S1 C2 109.1(9) . .
O1 S1 C1 109.6(7) . .
C2 S1 C1 108.7(9) . .
S1 O1 Cu1 163.7(6) . .
O2 S21 C4 102.8(8) . .
O2 S21 C3 102.9(7) . .
C4 S21 C3 112.0(9) . .
O2 S22 C4 116.1(17) . .
O2 S22 C3 107.2(14) . .
C4 S22 C3 121.6(17) . .
S22 O2 S21 39.8(12) . .
S22 O2 Cu2 168.9(15) . .
S21 O2 Cu2 150.4(6) . .
S22 C3 S21 32.9(10) . .
S22 C4 S21 35.5(11) . .
O3 S3 C5 107.4(8) . .
O3 S3 C6 97.0(14) . .
C5 S3 C6 101.0(14) . .
S3 O3 Cu3 162.7(6) . .
O4 S4 C7 103.4(9) . .
O4 S4 C8 101.5(8) . .
C7 S4 C8 101.4(10) . .
S4 O4 Cu4 148.5(7) . .
O5 S51 C10 106.6(9) . .
O5 S51 C9 101.2(8) . .
C10 S51 C9 101.9(10) . .
O5 S52 C9 102.6(15) . .
O5 S52 C10 106.4(17) . .
C9 S52 C10 103.2(16) . .
S51 O5 S52 55.7(12) . .
S51 O5 Cu5 145.4(7) . .
S52 O5 Cu5 156.1(13) . .
S52 C9 S51 46.3(10) . .
S51 C10 S52 46.4(10) . .
O6 S6 C11 107.9(11) . .
O6 S6 C12 105.6(9) . .
C11 S6 C12 109.5(12) . .
S6 O6 Cu6 166.0(6) . .
C7A N4A C8A 127.2(8) . .
C14A N5A C13A 113.4(10) . .
C20A N6A C19A 126.1(4) . .
C6A C1A C2A 120.0 . .
C6A C1A C7A 112.8(3) . .
C2A C1A C7A 127.2(3) . .
C3A C2A C1A 120.0 . .
C2A C3A C4A 120.0 . .
C2A C3A C13A 113.3(3) . .
C4A C3A C13A 126.4(3) . .
C5A C4A C3A 120.0 . .
C19A C5A C6A 117.4(3) . .
C19A C5A C4A 120.2(3) . .
C6A C5A C4A 120.0 . .
C5A C6A C1A 120.0 . .
O1A C7A N4A 118.4(9) . .
O1A C7A C1A 127.3(8) . .
N4A C7A C1A 113.7(6) . .
C12A C8A C9A 120.0 . .
C12A C8A N4A 126.6(5) . .
C9A C8A N4A 113.4(5) . .
N1A C9A C8A 120.0 . .
C10A N1A C9A 120.0 . .
C10A N1A Cu1 121.3(2) . .
C9A N1A Cu1 118.6(2) . .
C11A C10A N1A 120.0 . .
C10A C11A C12A 120.0 . .
C8A C12A C11A 120.0 . .
O2A C13A N5A 126.9(8) . .
O2A C13A C3A 115.2(6) . .
N5A C13A C3A 110.4(6) . .
N5A C14A C15A 106.1(6) . .
N5A C14A C18A 133.6(6) . .
C15A C14A C18A 120.0 . .
C14A C15A N2A 120.0 . .
C16A N2A C15A 120.0 . .
C16A N2A Cu3 115.69(15) . .
C15A N2A Cu3 124.21(16) . .
N2A C16A C17A 120.0 . .
C18A C17A C16A 120.0 . .
C17A C18A C14A 120.0 . .
O3A C19A C5A 129.0(7) . .
O3A C19A N6A 107.3(8) . .
C5A C19A N6A 111.6(4) . .
C21A C20A C24A 120.0 . .
C21A C20A N6A 117.4(3) . .
C24A C20A N6A 122.1(3) . .
C20A C21A N3A 120.0 . .
C21A N3A C22A 120.0 . .
C21A N3A Cu4 117.95(13) . .
C22A N3A Cu4 121.98(13) . .
C23A C22A N3A 120.0 . .
C22A C23A C24A 120.0 . .
C23A C24A C20A 120.0 . .
C7B N4B C8B 120.9(12) . .
C13B N5B C14B 123.9(12) . .
C20B N6B C19B 122.8(6) . .
C2B C1B C6B 120.0 . .
C2B C1B C7B 126.6(4) . .
C6B C1B C7B 113.2(4) . .
C3B C2B C1B 120.0 . .
C4B C3B C2B 120.0 . .
C4B C3B C13B 115.7(4) . .
C2B C3B C13B 124.1(4) . .
C3B C4B C5B 120.0 . .
C6B C5B C4B 120.0 . .
C6B C5B C19B 116.0(4) . .
C4B C5B C19B 123.5(4) . .
C5B C6B C1B 120.0 . .
N4B C7B O1B 121.6(11) . .
N4B C7B C1B 127.1(9) . .
O1B C7B C1B 110.1(8) . .
C12B C8B C9B 120.0 . .
C12B C8B N4B 109.7(6) . .
C9B C8B N4B 128.7(6) . .
N1B C9B C8B 120.0 . .
C10B N1B C9B 120.0 . .
C10B N1B Cu1 125.1(3) . .
C9B N1B Cu1 114.5(3) . .
N1B C10B C11B 120.0 . .
C12B C11B C10B 120.0 . .
C8B C12B C11B 120.0 . .
O2B C13B N5B 130.8(11) . .
O2B C13B C3B 114.2(9) . .
N5B C13B C3B 111.5(8) . .
N5B C14B C15B 116.3(7) . .
N5B C14B C18B 123.6(7) . .
C15B C14B C18B 120.0 . .
C14B C15B N2B 120.0 . .
C15B N2B C16B 120.0 . .
C15B N2B Cu4 122.9(3) . .
C16B N2B Cu4 117.1(3) . .
C17B C16B N2B 120.0 . .
C16B C17B C18B 120.0 . .
C14B C18B C17B 120.0 . .
O3B C19B C5B 121.9(8) . .
O3B C19B N6B 127.5(9) . .
C5B C19B N6B 109.8(6) . .
C21B C20B C24B 120.0 . .
C21B C20B N6B 120.0(3) . .
C24B C20B N6B 120.0(3) . .
C20B C21B N3B 120.0 . .
C22B N3B C21B 120.0 . .
C22B N3B Cu5 120.6(2) . .
C21B N3B Cu5 119.1(2) . .
C23B C22B N3B 120.0 . .
C24B C23B C22B 120.0 . .
C23B C24B C20B 120.0 . .
C7C N4C C8C 123.8(9) . .
C13C N5C C14C 127.6(11) . .
C20C N6C C19C 130.7(6) . .
C2C C1C C6C 120.0 . .
C2C C1C C7C 124.4(4) . .
C6C C1C C7C 114.8(4) . .
C1C C2C C3C 120.0 . .
C4C C3C C2C 120.0 . .
C4C C3C C13C 112.0(4) . .
C2C C3C C13C 128.0(4) . .
C3C C4C C5C 120.0 . .
C19C C5C C6C 115.5(4) . .
C19C C5C C4C 123.9(4) . .
C6C C5C C4C 120.0 . .
C5C C6C C1C 120.0 . .
O1C C7C N4C 120.7(9) . .
O1C C7C C1C 114.8(7) . .
N4C C7C C1C 117.3(7) . .
N4C C8C C9C 112.8(5) . .
N4C C8C C12C 126.8(5) . .
C9C C8C C12C 120.0 . .
N1C C9C C8C 120.0 . .
C9C N1C C10C 120.0 . .
C9C N1C Cu1 117.68(19) . .
C10C N1C Cu1 122.22(19) . .
C11C C10C N1C 120.0 . .
C12C C11C C10C 120.0 . .
C8C C12C C11C 120.0 . .
N5C C13C O2C 115.1(10) . .
N5C C13C C3C 132.1(8) . .
O2C C13C C3C 110.9(8) . .
C18C C14C C15C 120.0 . .
C18C C14C N5C 132.7(6) . .
C15C C14C N5C 107.1(6) . .
C14C C15C N2C 120.0 . .
C16C N2C C15C 120.0 . .
C16C N2C Cu5 112.4(3) . .
C15C N2C Cu5 127.2(3) . .
N2C C16C C17C 120.0 . .
C18C C17C C16C 120.0 . .
C14C C18C C17C 120.0 . .
O3C C19C C5C 121.1(7) . .
O3C C19C N6C 112.2(7) . .
C5C C19C N6C 122.0(6) . .
N6C C20C C24C 129.3(4) . .
N6C C20C C21C 110.4(4) . .
C24C C20C C21C 120.0 . .
C20C C21C N3C 120.0 . .
C22C N3C C21C 120.0 . .
C22C N3C Cu6 120.5(2) . .
C21C N3C Cu6 119.4(2) . .
C23C C22C N3C 120.0 . .
C22C C23C C24C 120.0 . .
C20C C24C C23C 120.0 . .
C7D N4D C8D 124.4(10) . .
C13D N5D C14D 132.1(13) . .
C20D N6D C19D 126.0(8) . .
C2D C1D C6D 120.0 . .
C2D C1D C7D 110.9(4) . .
C6D C1D C7D 128.3(4) . .
C3D C2D C1D 120.0 . .
C2D C3D C4D 120.0 . .
C2D C3D C13D 121.5(4) . .
C4D C3D C13D 118.5(4) . .
C5D C4D C3D 120.0 . .
C6D C5D C4D 120.0 . .
C6D C5D C19D 110.9(3) . .
C4D C5D C19D 127.3(3) . .
C5D C6D C1D 120.0 . .
O1D C7D N4D 122.2(10) . .
O1D C7D C1D 125.2(8) . .
N4D C7D C1D 111.7(7) . .
C12D C8D C9D 120.0 . .
C12D C8D N4D 118.2(5) . .
C9D C8D N4D 121.7(5) . .
N1D C9D C8D 120.0 . .
C9D N1D C10D 120.0 . .
C9D N1D Cu1 118.5(2) . .
C10D N1D Cu1 121.4(2) . .
N1D C10D C11D 120.0 . .
C10D C11D C12D 120.0 . .
C11D C12D C8D 120.0 . .
N5D C13D O2D 124.9(11) . .
N5D C13D C3D 122.6(10) . .
O2D C13D C3D 111.1(8) . .
N5D C14D C15D 121.5(6) . .
N5D C14D C18D 117.8(6) . .
C15D C14D C18D 120.0 . .
C14D C15D N2D 120.0 . .
C16D N2D C15D 120.0 . .
C16D N2D Cu6 123.6(2) . .
C15D N2D Cu6 115.0(2) . .
N2D C16D C17D 120.0 . .
C16D C17D C18D 120.0 . .
C17D C18D C14D 120.0 . .
O3D C19D N6D 119.1(11) . .
O3D C19D C5D 128.4(11) . .
N6D C19D C5D 112.3(6) . .
N6D C20D C24D 113.9(5) . .
N6D C20D C21D 126.1(5) . .
C24D C20D C21D 120.0 . .
N3D C21D C20D 120.0 . .
C22D N3D C21D 120.0 . .
C22D N3D Cu3 123.6(2) . .
C21D N3D Cu3 113.5(2) . .
N3D C22D C23D 120.0 . .
C22D C23D C24D 120.0 . .
C20D C24D C23D 120.0 . .
C7E N4E C8E 123.3(14) . .
C13E N5E C14E 121.1(16) . .
C19E N6E C20E 111.8(7) . .
C2E C1E C6E 120.0 . .
C2E C1E C7E 128.0(4) . .
C6E C1E C7E 112.0(4) . .
C1E C2E C3E 120.0 . .
C13E C3E C4E 119.8(4) . .
C13E C3E C2E 119.2(4) . .
C4E C3E C2E 120.0 . .
C3E C4E C5E 120.0 . .
C6E C5E C4E 120.0 . .
C6E C5E C19E 123.5(4) . .
C4E C5E C19E 116.3(4) . .
C5E C6E C1E 120.0 . .
O1E C7E N4E 124.3(10) . .
O1E C7E C1E 119.6(8) . .
N4E C7E C1E 112.1(8) . .
N4E C8E C9E 121.5(8) . .
N4E C8E C12E 118.0(8) . .
C9E C8E C12E 120.0 . .
N1E C9E C8E 120.0 . .
C9E N1E C10E 120.0 . .
C9E N1E Cu2 117.1(2) . .
C10E N1E Cu2 122.9(2) . .
N1E C10E C11E 120.0 . .
C12E C11E C10E 120.0 . .
C11E C12E C8E 120.0 . .
N5E C13E C3E 127.3(11) . .
N5E C13E O2E 116.7(12) . .
C3E C13E O2E 115.6(8) . .
C15E C14E C18E 120.0 . .
C15E C14E N5E 133.0(8) . .
C18E C14E N5E 106.8(8) . .
C14E C15E N2E 120.0 . .
C15E N2E C16E 120.0 . .
C15E N2E Cu3 114.1(3) . .
C16E N2E Cu3 125.0(3) . .
C17E C16E N2E 120.0 . .
C16E C17E C18E 120.0 . .
C17E C18E C14E 120.0 . .
N6E C19E O3E 134.9(10) . .
N6E C19E C5E 109.8(7) . .
O3E C19E C5E 114.9(8) . .
C24E C20E C21E 120.0 . .
C24E C20E N6E 108.3(4) . .
C21E C20E N6E 130.0(4) . .
N3E C21E C20E 120.0 . .
C21E N3E C22E 120.0 . .
C21E N3E Cu4 115.4(3) . .
C22E N3E Cu4 123.2(3) . .
N3E C22E C23E 120.0 . .
C24E C23E C22E 120.0 . .
C23E C24E C20E 120.0 . .
C7F N4F C8F 125.3(18) . .
C13F N5F C14F 137.6(11) . .
C19F N6F C20F 127.5(8) . .
C2F C1F C6F 120.0 . .
C2F C1F C7F 123.4(4) . .
C6F C1F C7F 116.4(4) . .
C3F C2F C1F 120.0 . .
C13F C3F C2F 132.1(5) . .
C13F C3F C4F 107.8(5) . .
C2F C3F C4F 120.0 . .
C5F C4F C3F 120.0 . .
C4F C5F C6F 120.0 . .
C4F C5F C19F 129.3(4) . .
C6F C5F C19F 110.7(4) . .
C5F C6F C1F 120.0 . .
O1F C7F N4F 124.5(12) . .
O1F C7F C1F 107.8(9) . .
N4F C7F C1F 127.6(12) . .
N4F C8F C9F 108.7(10) . .
N4F C8F C12F 131.2(10) . .
C9F C8F C12F 120.0 . .
C8F C9F N1F 120.0 . .
C10F N1F C9F 120.0 . .
C10F N1F Cu2 115.8(2) . .
C9F N1F Cu2 123.8(2) . .
N1F C10F C11F 120.0 . .
C12F C11F C10F 120.0 . .
C11F C12F C8F 120.0 . .
C3F C13F O2F 144.7(10) . .
C3F C13F N5F 112.7(8) . .
O2F C13F N5F 98.8(11) . .
C15F C14F C18F 120.0 . .
C15F C14F N5F 119.6(6) . .
C18F C14F N5F 120.2(6) . .
N2F C15F C14F 120.0 . .
C15F N2F C16F 120.0 . .
C15F N2F Cu4 119.0(3) . .
C16F N2F Cu4 121.0(3) . .
C17F C16F N2F 120.0 . .
C18F C17F C16F 120.0 . .
C17F C18F C14F 120.0 . .
O3F C19F N6F 105.2(14) . .
O3F C19F C5F 138.1(14) . .
N6F C19F C5F 116.1(8) . .
C24F C20F C21F 120.0 . .
C24F C20F N6F 126.1(4) . .
C21F C20F N6F 113.9(4) . .
C20F C21F N3F 120.0 . .
C22F N3F C21F 120.0 . .
C22F N3F Cu5 116.6(3) . .
C21F N3F Cu5 123.3(3) . .
N3F C22F C23F 120.0 . .
C24F C23F C22F 120.0 . .
C20F C24F C23F 120.0 . .
C8G N4G C7G 118.4(11) . .
C13G N5G C14G 118.8(12) . .
C19G N6G C20G 129.2(6) . .
C2G C1G C6G 120.0 . .
C2G C1G C7G 118.7(4) . .
C6G C1G C7G 121.3(4) . .
C1G C2G C3G 120.0 . .
C4G C3G C2G 120.0 . .
C4G C3G C13G 116.9(4) . .
C2G C3G C13G 122.9(4) . .
C3G C4G C5G 120.0 . .
C19G C5G C4G 121.0(4) . .
C19G C5G C6G 118.9(4) . .
C4G C5G C6G 120.0 . .
C1G C6G C5G 120.0 . .
O1G C7G N4G 131.7(10) . .
O1G C7G C1G 111.2(8) . .
N4G C7G C1G 117.0(8) . .
N4G C8G C9G 124.3(6) . .
N4G C8G C12G 115.3(6) . .
C9G C8G C12G 120.0 . .
N1G C9G C8G 120.0 . .
C9G N1G C10G 120.0 . .
C9G N1G Cu2 119.3(2) . .
C10G N1G Cu2 120.5(2) . .
N1G C10G C11G 120.0 . .
C12G C11G C10G 120.0 . .
C11G C12G C8G 120.0 . .
O2G C13G N5G 129.8(10) . .
O2G C13G C3G 113.9(8) . .
N5G C13G C3G 116.1(8) . .
C15G C14G C18G 120.0 . .
C15G C14G N5G 122.6(6) . .
C18G C14G N5G 117.3(6) . .
C14G C15G N2G 120.0 . .
C16G N2G C15G 120.0 . .
C16G N2G Cu5 118.1(2) . .
C15G N2G Cu5 121.9(2) . .
C17G C16G N2G 120.0 . .
C18G C17G C16G 120.0 . .
C17G C18G C14G 120.0 . .
O3G C19G C5G 120.1(7) . .
O3G C19G N6G 113.7(7) . .
C5G C19G N6G 126.0(6) . .
C24G C20G C21G 120.0 . .
C24G C20G N6G 114.5(3) . .
C21G C20G N6G 125.5(3) . .
N3G C21G C20G 120.0 . .
C22G N3G C21G 120.0 . .
C22G N3G Cu6 123.8(2) . .
C21G N3G Cu6 115.7(2) . .
N3G C22G C23G 120.0 . .
C22G C23G C24G 120.0 . .
C20G C24G C23G 120.0 . .
C7H N4H C8H 118.6(10) . .
C13H N5H C14H 123.0(12) . .
C19H N6H C20H 126.7(7) . .
C2H C1H C6H 120.0 . .
C2H C1H C7H 114.2(3) . .
C6H C1H C7H 125.8(3) . .
C1H C2H C3H 120.0 . .
C4H C3H C2H 120.0 . .
C4H C3H C13H 122.5(3) . .
C2H C3H C13H 117.5(3) . .
C3H C4H C5H 120.0 . .
C4H C5H C6H 120.0 . .
C4H C5H C19H 121.9(3) . .
C6H C5H C19H 118.1(3) . .
C1H C6H C5H 120.0 . .
O1H C7H N4H 120.6(8) . .
O1H C7H C1H 119.0(7) . .
N4H C7H C1H 115.0(7) . .
C9H C8H C12H 120.0 . .
C9H C8H N4H 106.2(5) . .
C12H C8H N4H 133.8(5) . .
N1H C9H C8H 120.0 . .
C9H N1H C10H 120.0 . .
C9H N1H Cu2 120.0(2) . .
C10H N1H Cu2 120.0(2) . .
C11H C10H N1H 120.0 . .
C10H C11H C12H 120.0 . .
C11H C12H C8H 120.0 . .
N5H C13H O2H 125.2(10) . .
N5H C13H C3H 121.5(9) . .
O2H C13H C3H 113.2(7) . .
N5H C14H C18H 130.3(6) . .
N5H C14H C15H 109.6(6) . .
C18H C14H C15H 120.0 . .
C14H C15H N2H 120.0 . .
C16H N2H C15H 120.0 . .
C16H N2H Cu6 119.7(2) . .
C15H N2H Cu6 120.1(2) . .
N2H C16H C17H 120.0 . .
C16H C17H C18H 120.0 . .
C17H C18H C14H 120.0 . .
O3H C19H N6H 127.1(8) . .
O3H C19H C5H 115.6(6) . .
N6H C19H C5H 116.8(6) . .
N6H C20H C21H 113.4(3) . .
N6H C20H C24H 125.7(3) . .
C21H C20H C24H 120.0 . .
C20H C21H N3H 120.0 . .
C21H N3H C22H 120.0 . .
C21H N3H Cu3 120.1(2) . .
C22H N3H Cu3 119.7(2) . .
C23H C22H N3H 120.0 . .
C22H C23H C24H 120.0 . .
C20H C24H C23H 120.0 . .
N1K Cu7 N1L 92.1(4) . .
N1K Cu7 N3K 178.1(3) . 2_665
N1L Cu7 N3K 87.9(4) . 2_665
N1K Cu7 N1J 93.6(2) . .
N1L Cu7 N1J 174.3(4) . .
N3K Cu7 N1J 86.5(2) 2_665 .
N1K Cu7 O13 92.7(3) . .
N1L Cu7 O13 88.5(5) . .
N3K Cu7 O13 89.2(3) 2_665 .
N1J Cu7 O13 90.9(3) . .
N1K Cu7 O15 88.26(17) . .
N1L Cu7 O15 88.9(4) . .
N3K Cu7 O15 89.83(19) 2_665 .
N1J Cu7 O15 91.63(14) . .
O13 Cu7 O15 177.2(3) . .
N2K Cu8 N2J 90.0(3) . .
N2K Cu8 N3J 90.1(3) . 3_565
N2J Cu8 N3J 179.5(4) . 3_565
N2K Cu8 N1M 168.2(3) . .
N2J Cu8 N1M 84.4(3) . .
N3J Cu8 N1M 95.4(3) 3_565 .
N2K Cu8 O14 95.3(3) . .
N2J Cu8 O14 94.1(4) . .
N3J Cu8 O14 86.4(3) 3_565 .
N1M Cu8 O14 95.4(3) . .
N2K Cu8 O16 87.4(2) . .
N2J Cu8 O16 86.4(3) . .
N3J Cu8 O16 93.0(2) 3_565 .
N1M Cu8 O16 81.9(2) . .
O14 Cu8 O16 177.2(2) . .
O13 S13 C26 105.8(7) . .
O13 S13 C25 108.7(9) . .
C26 S13 C25 99.0(9) . .
S13 O13 Cu7 173.9(7) . .
O14 S14 C27 106.5(8) . .
O14 S14 C28 106.1(7) . .
C27 S14 C28 100.9(9) . .
S14 O14 Cu8 157.0(6) . .
C7J N4J C8J 117.2(9) . .
C13J N5J C14J 118.3(13) . .
C19J N6J C20J 111.8(5) . .
C2J C1J C6J 120.0 . .
C2J C1J C7J 116.6 . .
C6J C1J C7J 122.6 . .
C1J C2J C3J 120.0 . .
C4J C3J C2J 120.0 . .
C4J C3J C13J 119.8(3) . .
C2J C3J C13J 120.1(3) . .
C3J C4J C5J 120.0 . .
C6J C5J C4J 120.0 . .
C6J C5J C19J 111.2(3) . .
C4J C5J C19J 128.7(3) . .
C1J C6J C5J 120.0 . .
O1J C7J N4J 139.9(9) . .
O1J C7J C1J 104.4(6) . .
N4J C7J C1J 109.4(6) . .
C12J C8J C9J 120.0 . .
C12J C8J N4J 114.8(4) . .
C9J C8J N4J 125.2(4) . .
N1J C9J C8J 120.0 . .
C9J N1J C10J 120.0 . .
C9J N1J Cu7 114.09(14) . .
C10J N1J Cu7 125.62(14) . .
C11J C10J N1J 120.0 . .
C10J C11J C12J 120.0 . .
C8J C12J C11J 120.0 . .
O2J C13J N5J 137.8(11) . .
O2J C13J C3J 106.1(8) . .
N5J C13J C3J 115.8(8) . .
N5J C14J C15J 125.0(8) . .
N5J C14J C18J 114.8(8) . .
C15J C14J C18J 120.0 . .
C14J C15J N2J 120.0 . .
C16J N2J C15J 120.0 . .
C16J N2J Cu8 118.3(3) . .
C15J N2J Cu8 121.3(3) . .
N2J C16J C17J 120.0 . .
C18J C17J C16J 120.0 . .
C17J C18J C14J 120.0 . .
O3J C19J N6J 133.2(8) . .
O3J C19J C5J 116.8(8) . .
N6J C19J C5J 108.4(5) . .
C21J C20J C24J 120.0 . .
C21J C20J N6J 133.4(3) . .
C24J C20J N6J 106.6(3) . .
C20J C21J N3J 120.0 . .
C22J N3J C21J 120.0 . .
C22J N3J Cu8 126.1(2) . 2_665
C21J N3J Cu8 112.4(2) . 2_665
C23J C22J N3J 120.0 . .
C22J C23J C24J 120.0 . .
C20J C24J C23J 120.0 . .
C7K N4K C8K 114.5(15) . .
C13K N5K C14K 108.1(13) . .
C19K N6K C20K 135.6(7) . .
C2K C1K C6K 120.0 . .
C2K C1K C7K 134.0 . .
C6K C1K C7K 105.2 . .
C3K C2K C1K 120.0 . .
C2K C3K C4K 120.0 . .
C2K C3K C13K 115.3(3) . .
C4K C3K C13K 122.1(4) . .
C5K C4K C3K 120.0 . .
C4K C5K C6K 120.0 . .
C4K C5K C19K 116.8(3) . .
C6K C5K C19K 123.1(3) . .
C5K C6K C1K 120.0 . .
N4K C7K O1K 149.7(12) . .
N4K C7K C1K 120.7(10) . .
O1K C7K C1K 89.0(7) . .
C9K C8K C12K 120.0 . .
C9K C8K N4K 108.8(6) . .
C12K C8K N4K 130.4(6) . .
C8K C9K N1K 120.0 . .
C10K N1K C9K 120.0 . .
C10K N1K Cu7 116.97(18) . .
C9K N1K Cu7 123.00(18) . .
N1K C10K C11K 120.0 . .
C12K C11K C10K 120.0 . .
C8K C12K C11K 120.0 . .
N5K C13K C3K 95.0(9) . .
N5K C13K O2K 131.8(11) . .
C3K C13K O2K 116.3(7) . .
C18K C14K C15K 120.0 . .
C18K C14K N5K 132.3(6) . .
C15K C14K N5K 107.6(6) . .
N2K C15K C14K 120.0 . .
C15K N2K C16K 120.0 . .
C15K N2K Cu8 121.8(2) . .
C16K N2K Cu8 118.2(2) . .
C17K C16K N2K 120.0 . .
C16K C17K C18K 120.0 . .
C14K C18K C17K 120.0 . .
N6K C19K O3K 121.4(8) . .
N6K C19K C5K 123.7(6) . .
O3K C19K C5K 114.9(7) . .
N6K C20K C24K 122.5(3) . .
N6K C20K C21K 117.5(3) . .
C24K C20K C21K 120.0 . .
N3K C21K C20K 120.0 . .
C22K N3K C21K 120.0 . .
C22K N3K Cu7 121.4(2) . 3_565
C21K N3K Cu7 118.2(2) . 3_565
N3K C22K C23K 120.0 . .
C24K C23K C22K 120.0 . .
C23K C24K C20K 120.0 . .
C8L N4L C7L 126.2(16) . .
C2L C1L C2L 120(2) 3_565 .
C2L C1L C7L 111(2) 3_565 .
C2L C1L C7L 129(2) . .
C1L C2L C1L 120(2) 2_665 .
O1L C7L N4L 123.3(19) . .
O1L C7L C1L 123(2) . .
N4L C7L C1L 114(2) . .
N4L C8L C9L 116.9(16) . .
N4L C8L C12L 124.6(17) . .
C9L C8L C12L 118.5(15) . .
N1L C9L C8L 119.3(15) . .
C9L N1L C10L 121.8(12) . .
C9L N1L Cu7 118.0(10) . .
C10L N1L Cu7 120.1(11) . .
C11L C10L N1L 117.7(15) . .
C10L C11L C12L 124.7(18) . .
C11L C12L C8L 117.9(17) . .
C7M N4M C8M 121.8(14) . .
C2M C1M C2M 119.4(15) . 3_565
C2M C1M C7M 121.8(17) . .
C2M C1M C7M 118.8(16) 3_565 .
C1M C2M C1M 120.6(15) . 2_665
N4M C7M O1M 125.7(11) . .
N4M C7M C1M 122.1(13) . .
O1M C7M C1M 112.0(10) . .
C12M C8M C9M 120.0 . .
C12M C8M N4M 129.4(7) . .
C9M C8M N4M 110.2(7) . .
N1M C9M C8M 120.0 . .
C9M N1M C10M 120.0 . .
C9M N1M Cu8 119.2(2) . .
C10M N1M Cu8 117.3(2) . .
C11M C10M N1M 120.0 . .
C10M C11M C12M 120.0 . .
C8M C12M C11M 120.0 . .
N1O Cu9 N1N 158.6(2) . .
N1O Cu9 N2N 111.4(3) . 5_557
N1N Cu9 N2N 88.7(4) . 5_557
N1O Cu9 N3N 69.1(3) . 6_557
N1N Cu9 N3N 90.6(4) . 6_557
N2N Cu9 N3N 178.4(5) 5_557 6_557
N1O Cu9 O17 90.7(3) . .
N1N Cu9 O17 95.7(4) . .
N2N Cu9 O17 92.8(4) 5_557 .
N3N Cu9 O17 88.7(4) 6_557 .
N1O Cu9 O18 87.12(8) . .
N1N Cu9 O18 86.6(3) . .
N2N Cu9 O18 87.2(3) 5_557 .
N3N Cu9 O18 91.4(3) 6_557 .
O17 Cu9 O18 177.7(3) . .
O17 S17 C33 105.6(7) . .
O17 S17 C34 108.1(7) . .
C33 S17 C34 101.6(8) . .
S17 O17 Cu9 162.3(6) . .
C7N N4N C8N 128.1(16) . .
C13N N5N C14N 117.0(18) . .
C19N N6N C20N 122.6(10) . .
C2N C1N C6N 120.0 . .
C2N C1N C7N 129.4(4) . .
C6N C1N C7N 110.3(4) . .
C3N C2N C1N 120.0 . .
C2N C3N C4N 120.0 . .
C2N C3N C13N 119.8(5) . .
C4N C3N C13N 119.9(5) . .
C5N C4N C3N 120.0 . .
C4N C5N C6N 120.0 . .
C4N C5N C19N 121.7(6) . .
C6N C5N C19N 117.9(6) . .
C5N C6N C1N 120.0 . .
N4N C7N O1N 104.0(12) . .
N4N C7N C1N 103.9(11) . .
O1N C7N C1N 115.9(10) . .
C12N C8N C9N 120.0 . .
C12N C8N N4N 122.5(8) . .
C9N C8N N4N 117.4(8) . .
N1N C9N C8N 120.0 . .
C10N N1N C9N 120.0 . .
C10N N1N Cu9 124.0(3) . .
C9N N1N Cu9 116.0(3) . .
C11N C10N N1N 120.0 . .
C12N C11N C10N 120.0 . .
C11N C12N C8N 120.0 . .
O2N C13N N5N 135.4(15) . .
O2N C13N C3N 112.4(11) . .
N5N C13N C3N 111.6(12) . .
C15N C14N C18N 120.0 . .
C15N C14N N5N 118.3(10) . .
C18N C14N N5N 119.1(10) . .
C14N C15N N2N 120.0 . .
C15N N2N C16N 120.0 . .
C15N N2N Cu9 111.6(3) . 6_557
C16N N2N Cu9 128.0(3) . 6_557
C17N C16N N2N 120.0 . .
C16N C17N C18N 120.0 . .
C17N C18N C14N 120.0 . .
N6N C19N O3N 119.5(14) . .
N6N C19N C5N 112.2(10) . .
O3N C19N C5N 127.0(13) . .
C24N C20N C21N 120.0 . .
C24N C20N N6N 121.7(5) . .
C21N C20N N6N 116.9(5) . .
C20N C21N N3N 120.0 . .
C22N N3N C21N 120.0 . .
C22N N3N Cu9 127.9(4) . 5_557
C21N N3N Cu9 110.3(4) . 5_557
C23N C22N N3N 120.0 . .
C22N C23N C24N 120.0 . .
C20N C24N C23N 120.0 . .
C8O N4O C7O 120.1(10) . .
C2O C1O C2O 118.7(12) 3 .
C2O C1O C7O 123.2(13) 3 .
C2O C1O C7O 117.5(13) . .
C1O C2O C1O 121.3(12) 2 .
O1O C7O C1O 130.1(12) . .
O1O C7O N4O 126.0(12) . .
C1O C7O N4O 102.5(8) . .
C9O C8O C12O 120.0 . .
C9O C8O N4O 117.1(6) . .
C12O C8O N4O 122.8(6) . .
C8O C9O N1O 120.0 . .
C10O N1O C9O 120.0 . .
C10O N1O Cu9 103.42(6) . .
C9O N1O Cu9 133.25(7) . .
N1O C10O C11O 120.0 . .
C12O C11O C10O 120.0 . .
C11O C12O C8O 120.0 . .
O113 Cl13 O213 155.5 . .
O113 Cl13 O413 101.9 . .
O213 Cl13 O413 88.4 . .
O113 Cl13 O313 99.4 . .
O213 Cl13 O313 102.0 . .
O413 Cl13 O313 93.8 . .
Cl13 O113 Cu1 162.5 . .
O420 Cl20 O220 118.8 . .
O420 Cl20 O120 118.7 . .
O220 Cl20 O120 111.5 . .
O420 Cl20 O320 111.3 . .
O220 Cl20 O320 99.8 . .
O120 Cl20 O320 91.3 . .
Cl20 O120 Cu2 147.71(5) . .
S10 O10 Cu4 148.58(6) . .
O11 S11 C21 113.5 . .
O11 S11 C22 102.3 . .
C21 S11 C22 126.0 . .
S11 O11 Cu5 160.46(6) . .
O12 S12 O12 180.0(3) . 4_767
O12 S12 C24 95.70(8) . 4_767
O12 S12 C24 84.30(14) 4_767 4_767
O12 S12 C24 84.3 . .
O12 S12 C24 95.70(13) 4_767 .
C24 S12 C24 180.00(13) 4_767 .
O12 S12 C23 92.51(8) . 4_767
O12 S12 C23 87.49(15) 4_767 4_767
C24 S12 C23 92.21(12) 4_767 4_767
C24 S12 C23 87.79(7) . 4_767
O12 S12 C23 87.5 . .
O12 S12 C23 92.51(14) 4_767 .
C24 S12 C23 87.79(9) 4_767 .
C24 S12 C23 92.2 . .
C23 S12 C23 180.00(9) 4_767 .
S12 O12 C24 61.0 . .
S12 O12 Cu6 173.2 . .
C24 O12 Cu6 120.0 . .
S12 C24 O12 34.7 . .
O15 S15 C29 109.2 . .
O15 S15 C30 100.7 . .
C29 S15 C30 84.7 . .
S15 O15 C292 33.5 . .
S15 O15 Cu7 170.99(5) . .
C292 O15 Cu7 137.9 . .
C302 C292 O15 74.9 . .
O16 S16 C32 108.2 . .
O16 S16 C31 98.5 . .
C32 S16 C31 96.7 . .
S16 O16 Cu8 175.5 . .
O18 S181 C35 102.3 . .
S181 O18 S182 32.9 . .
S181 O18 Cu9 171.1 . .
S182 O18 Cu9 138.2 . .
O1P Cl1 O4P 111.0 . .
O1P Cl1 O3P 112.7 . .
O4P Cl1 O3P 122.4 . .
O1P Cl1 O2P 108.1 . .
O4P Cl1 O2P 107.9 . .
O3P Cl1 O2P 92.0 . .
O7P Cl2 O5P 112.2 . .
O7P Cl2 O6P 110.3 . .
O5P Cl2 O6P 114.1 . .
O7P Cl2 O8P 79.9 . .
O5P Cl2 O8P 109.1 . .
O6P Cl2 O8P 126.2 . .
O10P Cl3 O9P 124.2 . .
O10P Cl3 O12P 115.8 . .
O9P Cl3 O12P 102.6 . .
O10P Cl3 O11P 112.7 . .
O9P Cl3 O11P 92.8 . .
O12P Cl3 O11P 105.2 . .
O16P Cl4 O14P 98.0 . .
O16P Cl4 O13P 104.3 . .
O14P Cl4 O13P 104.8 . .
O16P Cl4 O15P 100.0 . .
O14P Cl4 O15P 135.3 . .
O13P Cl4 O15P 109.7 . .
O19P Cl5 O20P 106.4 . .
O19P Cl5 O17P 119.2 . .
O20P Cl5 O17P 107.6 . .
O19P Cl5 O18P 109.6 . .
O20P Cl5 O18P 103.2 . .
O17P Cl5 O18P 109.6 . .
O22P Cl6 O24P 106.5 . .
O22P Cl6 O21P 109.9 . .
O24P Cl6 O21P 107.9 . .
O22P Cl6 O23P 106.1 . .
O24P Cl6 O23P 115.3 . .
O21P Cl6 O23P 111.0 . .
O25P Cl7 O26P 118.8 . .
O25P Cl7 O27P 119.1 . .
O26P Cl7 O27P 115.7 . .
O25P Cl7 O28P 94.0 . .
O26P Cl7 O28P 107.6 . .
O27P Cl7 O28P 94.0 . .
O31P Cl8 O29P 117.0 . .
O31P Cl8 O30P 117.5 . .
O29P Cl8 O30P 112.6 . .
O31P Cl8 O32P 109.9 . .
O29P Cl8 O32P 109.2 . .
O30P Cl8 O32P 86.1 . .
O35P Cl9 O34P 130.7 . .
O35P Cl9 O33P 114.2 . .
O34P Cl9 O33P 114.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N1A 1.959(7) .
Cu1 N1B 1.971(7) .
Cu1 N1D 1.997(7) .
Cu1 N1C 2.034(7) .
Cu1 O1 2.266(8) .
Cu1 O113 2.694(2) .
Cu2 N1G 2.007(8) .
Cu2 N1F 2.025(9) .
Cu2 N1H 2.060(7) .
Cu2 N1E 2.062(8) .
Cu2 O2 2.253(9) .
Cu2 O120 2.640(2) .
Cu3 N2A 1.991(5) .
Cu3 N3H 2.043(6) .
Cu3 N2E 2.068(8) .
Cu3 N3D 2.070(8) .
Cu3 O3 2.248(8) .
Cu3 O213 2.648(2) 6_547
Cu4 N2F 1.931(9) .
Cu4 N3E 1.941(9) .
Cu4 N3A 1.983(6) .
Cu4 N2B 2.025(9) .
Cu4 O4 2.331(9) .
Cu4 O10 2.609(2) .
Cu5 N2G 1.976(7) .
Cu5 N2C 2.044(9) .
Cu5 N3B 2.095(7) .
Cu5 N3F 2.100(8) .
Cu5 O5 2.401(11) .
Cu5 O11 2.517(2) .
Cu6 N3C 2.000(7) .
Cu6 N3G 2.060(7) .
Cu6 N2H 2.061(7) .
Cu6 N2D 2.066(7) .
Cu6 O6 2.249(8) .
Cu6 O12 2.748(2) .
S1 O1 1.447(8) .
S1 C2 1.762(15) .
S1 C1 1.811(13) .
S21 O2 1.529(9) .
S21 C4 1.726(19) .
S21 C3 1.798(12) .
S22 O2 1.443(18) .
S22 C4 1.56(3) .
S22 C3 1.787(14) .
S3 O3 1.489(9) .
S3 C5 1.801(15) .
S3 C6 1.802(19) .
S4 O4 1.502(9) .
S4 C7 1.792(15) .
S4 C8 1.810(15) .
S51 O5 1.507(10) .
S51 C10 1.787(16) .
S51 C9 1.808(14) .
S52 O5 1.51(2) .
S52 C9 1.775(19) .
S52 C10 1.79(2) .
S6 O6 1.458(8) .
S6 C11 1.744(16) .
S6 C12 1.776(16) .
O1A C7A 1.229(12) .
O2A C13A 1.178(10) .
O3A C19A 1.252(10) .
N4A C7A 1.432(12) .
N4A C8A 1.501(12) .
N5A C14A 1.313(12) .
N5A C13A 1.460(12) .
N6A C20A 1.473(8) .
N6A C19A 1.644(8) .
C1A C6A 1.3900 .
C1A C2A 1.3902 .
C1A C7A 1.453(9) .
C2A C3A 1.3895 .
C3A C4A 1.3901 .
C3A C13A 1.478(8) .
C4A C5A 1.3900 .
C5A C19A 1.339(7) .
C5A C6A 1.3899 .
C8A C12A 1.3899 .
C8A C9A 1.3901 .
C9A N1A 1.3899 .
N1A C10A 1.3899 .
C10A C11A 1.3897 .
C11A C12A 1.3900 .
C14A C15A 1.3898 .
C14A C18A 1.3901 .
C15A N2A 1.3900 .
N2A C16A 1.3898 .
C16A C17A 1.3902 .
C17A C18A 1.3898 .
C20A C21A 1.3899 .
C20A C24A 1.3901 .
C21A N3A 1.3900 .
N3A C22A 1.3901 .
C22A C23A 1.3900 .
C23A C24A 1.3900 .
O1B C7B 1.397(13) .
O2B C13B 1.284(15) .
O3B C19B 1.181(9) .
N4B C7B 1.298(11) .
N4B C8B 1.495(16) .
N5B C13B 1.386(16) .
N5B C14B 1.386(14) .
N6B C20B 1.412(10) .
N6B C19B 1.554(9) .
C1B C2B 1.3900 .
C1B C6B 1.3901 .
C1B C7B 1.426(10) .
C2B C3B 1.3900 .
C3B C4B 1.3900 .
C3B C13B 1.569(12) .
C4B C5B 1.3900 .
C5B C6B 1.3899 .
C5B C19B 1.505(10) .
C8B C12B 1.3896 .
C8B C9B 1.3902 .
C9B N1B 1.3900 .
N1B C10B 1.3898 .
C10B C11B 1.3904 .
C11B C12B 1.3901 .
C14B C15B 1.3899 .
C14B C18B 1.3899 .
C15B N2B 1.3901 .
N2B C16B 1.3903 .
C16B C17B 1.3898 .
C17B C18B 1.3900 .
C20B C21B 1.3897 .
C20B C24B 1.3900 .
C21B N3B 1.3902 .
N3B C22B 1.3900 .
C22B C23B 1.3900 .
C23B C24B 1.3900 .
O1C C7C 1.179(12) .
O2C C13C 1.407(15) .
O3C C19C 1.298(11) .
N4C C7C 1.361(11) .
N4C C8C 1.377(12) .
N5C C13C 1.303(12) .
N5C C14C 1.404(14) .
N6C C20C 1.311(9) .
N6C C19C 1.536(9) .
C1C C2C 1.3899 .
C1C C6C 1.3902 .
C1C C7C 1.521(9) .
C2C C3C 1.3900 .
C3C C4C 1.3897 .
C3C C13C 1.443(12) .
C4C C5C 1.3900 .
C5C C19C 1.385(9) .
C5C C6C 1.3899 .
C8C C9C 1.3899 .
C8C C12C 1.3899 .
C9C N1C 1.3899 .
N1C C10C 1.3900 .
C10C C11C 1.3900 .
C11C C12C 1.3899 .
C14C C18C 1.3899 .
C14C C15C 1.3900 .
C15C N2C 1.3900 .
N2C C16C 1.3899 .
C16C C17C 1.3901 .
C17C C18C 1.3900 .
C20C C24C 1.3894 .
C20C C21C 1.3900 .
C21C N3C 1.3901 .
N3C C22C 1.3900 .
C22C C23C 1.3900 .
C23C C24C 1.3904 .
O1D C7D 1.221(13) .
O2D C13D 1.281(12) .
O3D C19D 1.151(17) .
N4D C7D 1.289(12) .
N4D C8D 1.441(11) .
N5D C13D 1.197(14) .
N5D C14D 1.367(17) .
N6D C20D 1.246(10) .
N6D C19D 1.559(10) .
C1D C2D 1.3899 .
C1D C6D 1.3900 .
C1D C7D 1.485(10) .
C2D C3D 1.3898 .
C3D C4D 1.3902 .
C3D C13D 1.626(10) .
C4D C5D 1.3901 .
C5D C6D 1.3900 .
C5D C19D 1.606(10) .
C8D C12D 1.3902 .
C8D C9D 1.3903 .
C9D N1D 1.3899 .
N1D C10D 1.3899 .
C10D C11D 1.3901 .
C11D C12D 1.3902 .
C14D C15D 1.3893 .
C14D C18D 1.3902 .
C15D N2D 1.3901 .
N2D C16D 1.3899 .
C16D C17D 1.3900 .
C17D C18D 1.3901 .
C20D C24D 1.3900 .
C20D C21D 1.3902 .
C21D N3D 1.3901 .
N3D C22D 1.3899 .
C22D C23D 1.3900 .
C23D C24D 1.3900 .
O1E C7E 1.269(14) .
O2E C13E 1.423(13) .
O3E C19E 1.307(14) .
N4E C7E 1.29(2) .
N4E C8E 1.371(16) .
N5E C13E 1.290(15) .
N5E C14E 1.393(18) .
N6E C19E 1.288(10) .
N6E C20E 1.513(12) .
C1E C2E 1.3900 .
C1E C6E 1.3901 .
C1E C7E 1.550(11) .
C2E C3E 1.3900 .
C3E C13E 1.384(11) .
C3E C4E 1.3898 .
C4E C5E 1.3900 .
C5E C6E 1.3898 .
C5E C19E 1.557(12) .
C8E C9E 1.3901 .
C8E C12E 1.3902 .
C9E N1E 1.3899 .
N1E C10E 1.3900 .
C10E C11E 1.3901 .
C11E C12E 1.3899 .
C14E C15E 1.3899 .
C14E C18E 1.3902 .
C15E N2E 1.3901 .
N2E C16E 1.3901 .
C16E C17E 1.3899 .
C17E C18E 1.3899 .
C20E C24E 1.3900 .
C20E C21E 1.3901 .
C21E N3E 1.3899 .
N3E C22E 1.3900 .
C22E C23E 1.3902 .
C23E C24E 1.3900 .
O1F C7F 1.272(17) .
O2F C13F 1.354(15) .
O3F C19F 1.21(2) .
N4F C7F 1.32(2) .
N4F C8F 1.334(19) .
N5F C13F 1.478(18) .
N5F C14F 1.548(16) .
N6F C19F 1.334(10) .
N6F C20F 1.515(11) .
C1F C2F 1.3899 .
C1F C6F 1.3901 .
C1F C7F 1.492(11) .
C2F C3F 1.3899 .
C3F C13F 1.197(11) .
C3F C4F 1.3900 .
C4F C5F 1.3898 .
C5F C6F 1.3900 .
C5F C19F 1.434(11) .
C8F C9F 1.3898 .
C8F C12F 1.3901 .
C9F N1F 1.3903 .
N1F C10F 1.3900 .
C10F C11F 1.3901 .
C11F C12F 1.3899 .
C14F C15F 1.3899 .
C14F C18F 1.3901 .
C15F N2F 1.3899 .
N2F C16F 1.3900 .
C16F C17F 1.3900 .
C17F C18F 1.3897 .
C20F C24F 1.3900 .
C20F C21F 1.3901 .
C21F N3F 1.3901 .
N3F C22F 1.3899 .
C22F C23F 1.3903 .
C23F C24F 1.3900 .
O1G C7G 1.296(13) .
O2G C13G 1.250(12) .
O3G C19G 1.326(12) .
N4G C8G 1.378(16) .
N4G C7G 1.413(13) .
N5G C13G 1.368(14) .
N5G C14G 1.464(15) .
N6G C19G 1.395(9) .
N6G C20G 1.414(10) .
C1G C2G 1.3899 .
C1G C6G 1.3899 .
C1G C7G 1.512(10) .
C2G C3G 1.3901 .
C3G C4G 1.3900 .
C3G C13G 1.549(10) .
C4G C5G 1.3900 .
C5G C19G 1.372(9) .
C5G C6G 1.3902 .
C8G C9G 1.3900 .
C8G C12G 1.3900 .
C9G N1G 1.3899 .
N1G C10G 1.3901 .
C10G C11G 1.3901 .
C11G C12G 1.3899 .
C14G C15G 1.3900 .
C14G C18G 1.3901 .
C15G N2G 1.3900 .
N2G C16G 1.3899 .
C16G C17G 1.3899 .
C17G C18G 1.3899 .
C20G C24G 1.3899 .
C20G C21G 1.3902 .
C21G N3G 1.3901 .
N3G C22G 1.3899 .
C22G C23G 1.3900 .
C23G C24G 1.3900 .
O1H C7H 1.313(12) .
O2H C13H 1.391(14) .
O3H C19H 1.198(9) .
N4H C7H 1.427(13) .
N4H C8H 1.456(13) .
N5H C13H 1.319(12) .
N5H C14H 1.357(15) .
N6H C19H 1.316(8) .
N6H C20H 1.333(9) .
C1H C2H 1.3899 .
C1H C6H 1.3900 .
C1H C7H 1.518(9) .
C2H C3H 1.3902 .
C3H C4H 1.3900 .
C3H C13H 1.503(10) .
C4H C5H 1.3900 .
C5H C6H 1.3900 .
C5H C19H 1.572(9) .
C8H C9H 1.3899 .
C8H C12H 1.3901 .
C9H N1H 1.3899 .
N1H C10H 1.3900 .
C10H C11H 1.3900 .
C11H C12H 1.3901 .
C14H C18H 1.3900 .
C14H C15H 1.3900 .
C15H N2H 1.3901 .
N2H C16H 1.3898 .
C16H C17H 1.3899 .
C17H C18H 1.3900 .
C20H C21H 1.3898 .
C20H C24H 1.3901 .
C21H N3H 1.3900 .
N3H C22H 1.3901 .
C22H C23H 1.3899 .
C23H C24H 1.3901 .
Cu7 N1K 1.889(6) .
Cu7 N1L 1.964(11) .
Cu7 N3K 1.985(7) 2_665
Cu7 N1J 2.023(5) .
Cu7 O13 2.243(9) .
Cu7 O15 2.467(2) .
Cu8 N2K 1.940(7) .
Cu8 N2J 1.995(8) .
Cu8 N3J 2.021(7) 3_565
Cu8 N1M 2.037(7) .
Cu8 O14 2.302(9) .
Cu8 O16 2.691(2) .
S13 O13 1.526(9) .
S13 C26 1.717(16) .
S13 C25 1.78(2) .
S14 O14 1.515(10) .
S14 C27 1.80(2) .
S14 C28 1.87(2) .
O1J C7J 1.258(12) .
O2J C13J 1.280(11) .
O3J C19J 1.241(12) .
N4J C7J 1.277(12) .
N4J C8J 1.516(14) .
N5J C13J 1.334(15) .
N5J C14J 1.338(17) .
N6J C19J 1.388(8) .
N6J C20J 1.398(8) .
C1J C2J 1.3900 .
C1J C6J 1.3900 .
C1J C7J 1.7547 .
C2J C3J 1.3901 .
C3J C4J 1.3899 .
C3J C13J 1.606(10) .
C4J C5J 1.3901 .
C5J C6J 1.3900 .
C5J C19J 1.614(8) .
C8J C12J 1.3896 .
C8J C9J 1.3901 .
C9J N1J 1.3900 .
N1J C10J 1.3901 .
C10J C11J 1.3899 .
C11J C12J 1.3900 .
C14J C15J 1.3899 .
C14J C18J 1.3901 .
C15J N2J 1.3899 .
N2J C16J 1.3899 .
C16J C17J 1.3900 .
C17J C18J 1.3899 .
C20J C21J 1.3899 .
C20J C24J 1.3900 .
C21J N3J 1.3900 .
N3J C22J 1.3900 .
N3J Cu8 2.021(7) 2_665
C22J C23J 1.3900 .
C23J C24J 1.3901 .
O1K C7K 1.422(18) .
O2K C13K 1.495(16) .
O3K C19K 1.447(16) .
N4K C7K 1.136(12) .
N4K C8K 1.454(17) .
N5K C13K 1.412(15) .
N5K C14K 1.659(17) .
N6K C19K 1.268(8) .
N6K C20K 1.344(8) .
C1K C2K 1.3899 .
C1K C6K 1.3900 .
C1K C7K 1.8123 .
C2K C3K 1.3897 .
C3K C4K 1.3901 .
C3K C13K 1.447(9) .
C4K C5K 1.3899 .
C5K C6K 1.3900 .
C5K C19K 1.658(8) .
C8K C9K 1.3899 .
C8K C12K 1.3899 .
C9K N1K 1.3899 .
N1K C10K 1.3898 .
C10K C11K 1.3900 .
C11K C12K 1.3899 .
C14K C18K 1.3900 .
C14K C15K 1.3901 .
C15K N2K 1.3900 .
N2K C16K 1.3900 .
C16K C17K 1.3900 .
C17K C18K 1.3900 .
C20K C24K 1.3900 .
C20K C21K 1.3902 .
C21K N3K 1.3900 .
N3K C22K 1.3900 .
N3K Cu7 1.985(7) 3_565
C22K C23K 1.3903 .
C23K C24K 1.3897 .
O1L C7L 1.24(2) .
N4L C8L 1.364(17) .
N4L C7L 1.41(2) .
C1L C2L 1.321(18) 3_565
C1L C2L 1.390(19) .
C1L C7L 1.51(2) .
C2L C1L 1.321(18) 2_665
C8L C9L 1.418(19) .
C8L C12L 1.48(2) .
C9L N1L 1.357(15) .
N1L C10L 1.448(17) .
C10L C11L 1.34(2) .
C11L C12L 1.35(2) .
O1M C7M 1.414(13) .
N4M C7M 1.343(14) .
N4M C8M 1.429(16) .
C1M C2M 1.387(13) .
C1M C2M 1.398(12) 3_565
C1M C7M 1.439(13) .
C2M C1M 1.398(12) 2_665
C8M C12M 1.3899 .
C8M C9M 1.3900 .
C9M N1M 1.3899 .
N1M C10M 1.3900 .
C10M C11M 1.3900 .
C11M C12M 1.3900 .
Cu9 N1O 1.821(2) .
Cu9 N1N 1.849(9) .
Cu9 N2N 1.890(10) 5_557
Cu9 N3N 1.973(11) 6_557
Cu9 O17 2.308(9) .
Cu9 O18 2.633(2) .
S17 O17 1.473(9) .
S17 C33 1.733(18) .
S17 C34 1.858(19) .
O1N C7N 1.46(2) .
O2N C13N 1.24(2) .
O3N C19N 1.39(2) .
N4N C7N 1.31(2) .
N4N C8N 1.60(2) .
N5N C13N 1.26(2) .
N5N C14N 1.41(2) .
N6N C19N 1.067(15) .
N6N C20N 1.780(14) .
C1N C2N 1.3900 .
C1N C6N 1.3901 .
C1N C7N 1.657(13) .
C2N C3N 1.3899 .
C3N C4N 1.3901 .
C3N C13N 1.716(13) .
C4N C5N 1.3899 .
C5N C6N 1.3900 .
C5N C19N 1.449(14) .
C8N C12N 1.3901 .
C8N C9N 1.3901 .
C9N N1N 1.3900 .
N1N C10N 1.3900 .
C10N C11N 1.3900 .
C11N C12N 1.3900 .
C14N C15N 1.3900 .
C14N C18N 1.3901 .
C15N N2N 1.3900 .
N2N C16N 1.3900 .
N2N Cu9 1.890(10) 6_557
C16N C17N 1.3900 .
C17N C18N 1.3900 .
C20N C24N 1.3898 .
C20N C21N 1.3901 .
C21N N3N 1.3901 .
N3N C22N 1.3900 .
N3N Cu9 1.973(11) 5_557
C22N C23N 1.3899 .
C23N C24N 1.3901 .
O1O C7O 1.235(15) .
N4O C8O 1.509(14) .
N4O C7O 1.549(13) .
C1O C2O 1.388(11) 3
C1O C2O 1.400(12) .
C1O C7O 1.439(10) .
C2O C1O 1.388(11) 2
C8O C9O 1.3900 .
C8O C12O 1.3900 .
C9O N1O 1.3900 .
N1O C10O 1.3900 .
C10O C11O 1.3901 .
C11O C12O 1.3900 .
Cl13 O113 1.1568 .
Cl13 O213 1.1909 .
Cl13 O413 1.4412 .
Cl13 O313 1.5650 .
Cl20 O420 1.2459 .
Cl20 O220 1.3259 .
Cl20 O120 1.4833 .
Cl20 O320 1.5776 .
S10 O10 1.4746 .
S11 O11 1.3965 .
S11 C21 1.5742 .
S11 C22 1.6494 .
S12 O12 1.0698 .
S12 O12 1.070(2) 4_767
S12 C24 1.642(2) 4_767
S12 C24 1.6421 .
S12 C23 1.806(3) 4_767
S12 C23 1.8057 .
O12 C24 1.8687 .
S15 O15 1.4333 .
S15 C29 1.7260 .
S15 C30 1.8735 .
O15 C292 1.7107 .
C292 C302 1.5459 .
S16 O16 1.4465 .
S16 C32 1.6683 .
S16 C31 1.8882 .
S181 O18 1.4485 .
S181 C35 1.8591 .
S182 O18 1.7280 .
Cl1 O1P 1.3381 .
Cl1 O4P 1.4109 .
Cl1 O3P 1.4195 .
Cl1 O2P 1.6531 .
Cl2 O7P 1.3659 .
Cl2 O5P 1.4066 .
Cl2 O6P 1.4145 .
Cl2 O8P 1.6037 .
Cl3 O10P 1.3152 .
Cl3 O9P 1.3891 .
Cl3 O12P 1.5960 .
Cl3 O11P 1.6996 .
Cl4 O16P 1.3922 .
Cl4 O14P 1.4418 .
Cl4 O13P 1.4737 .
Cl4 O15P 1.5264 .
Cl5 O19P 1.4051 .
Cl5 O20P 1.4642 .
Cl5 O17P 1.5057 .
Cl5 O18P 1.5778 .
Cl6 O22P 1.4061 .
Cl6 O24P 1.4354 .
Cl6 O21P 1.4373 .
Cl6 O23P 1.4536 .
Cl7 O25P 1.3638 .
Cl7 O26P 1.4415 .
Cl7 O27P 1.5902 .
Cl7 O28P 1.6044 .
Cl8 O31P 1.3490 .
Cl8 O29P 1.4026 .
Cl8 O30P 1.4234 .
Cl8 O32P 1.7949 .
Cl9 O35P 1.1984 .
Cl9 O34P 1.3513 .
Cl9 O33P 1.3629 .
