#------------------------------------------------------------------------------
#$Date: 2023-12-08 16:16:31 +0200 (Fri, 08 Dec 2023) $
#$Revision: 288183 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/23/4312302.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_4312302
loop_
_publ_author_name
'Merii Kato'
'Tomoaki Tanase'
_publ_contact_author_address
;
    Department of Chemistry, Faculty of Science, Nara Women's University, 
 Kitauoya-higashi-machi, Nara 630-8285, Japan
;
_publ_contact_author_email       tanase@cc.nara-wu.ac.jp
_publ_contact_author_fax         +81-742-20-3399
_publ_contact_author_name        ' Tomoaki Tanae'
_publ_contact_author_phone       +81-742-20-3399
_publ_section_title
;
 Tetranuclear Copper(II) Complex with Glucose-1-phosphate and Its
 Phosphate Ester Exchange with ATP
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8
_journal_page_last               10
_journal_paper_doi               10.1021/ic0487631
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C60 H89 Cu4 N11 O45 P2'
_chemical_formula_weight         2000.52
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 101.660(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.4537(11)
_cell_length_b                   31.618(2)
_cell_length_c                   16.6979(11)
_cell_measurement_reflns_used    17870
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     7990.5(9)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_molecular_graphics    ORTEP
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF Patty'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.903
_diffrn_measured_fraction_theta_max 0.903
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0455
_diffrn_reflns_av_sigmaI/netI    0.0697
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            68331
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    1.200
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.787
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.663
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             4128
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.971
_refine_diff_density_min         -0.589
_refine_diff_density_rms         0.094
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.000(7)
_refine_ls_extinction_coef       0.00024(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2199
_refine_ls_number_reflns         31336
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0686
_refine_ls_R_factor_gt           0.0517
_refine_ls_shift/su_max          1.511
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0815P)²+0.0436P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1241
_refine_ls_wR_factor_ref         0.1357
_reflns_number_gt                31336
_reflns_number_total             31385
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0487631si20041105_085204_1.cif
_cod_data_source_block           '[Cu4(Glc-1-P)2(phen)4(H2O)2]'
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_atom_site_symetry_multiplicity' was replaced with
'_atom_site_symmetry_multiplicity' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4312302
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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 -0.10667(4) 0.38701(2) -1.01815(4) 0.02700(15) Uani 1 1 d . . .
Cu2 Cu 0.09131(4) 0.38236(2) -0.90569(4) 0.02883(16) Uani 1 1 d . . .
Cu3 Cu -0.11934(4) 0.498996(19) -1.02273(4) 0.02184(14) Uani 1 1 d . . .
Cu4 Cu 0.11535(4) 0.49097(2) -0.83906(4) 0.02414(14) Uani 1 1 d . . .
Cu5 Cu 0.57947(4) 0.29026(2) -0.44890(4) 0.02473(15) Uani 1 1 d . . .
Cu6 Cu 0.37618(4) 0.27932(2) -0.57236(4) 0.02640(15) Uani 1 1 d . . .
Cu7 Cu 0.57544(4) 0.18299(2) -0.36597(4) 0.02213(14) Uani 1 1 d . . .
Cu8 Cu 0.36649(4) 0.171116(19) -0.57216(4) 0.02250(14) Uani 1 1 d . . .
P1 P 0.06959(9) 0.46088(4) -1.01515(8) 0.0215(3) Uani 1 1 d . . .
P2 P -0.07119(9) 0.44486(4) -0.86677(8) 0.0210(3) Uani 1 1 d . . .
P3 P 0.55432(8) 0.20824(4) -0.54983(8) 0.0192(3) Uani 1 1 d . . .
P4 P 0.39118(9) 0.22759(4) -0.41631(9) 0.0241(3) Uani 1 1 d . . .
O1 O 0.0004(3) 0.35498(12) -0.9831(3) 0.0330(9) Uani 1 1 d . . .
O2 O 0.4777(3) 0.31287(12) -0.5244(2) 0.0305(9) Uani 1 1 d . . .
O3 O -0.0496(3) 0.56191(13) -0.9908(3) 0.0370(10) Uani 1 1 d . . .
O4 O 0.0290(3) 0.54513(12) -0.8253(3) 0.0385(10) Uani 1 1 d . . .
O5 O 0.4751(2) 0.13004(12) -0.3641(2) 0.0278(8) Uani 1 1 d . . .
O6 O 0.4570(2) 0.11538(12) -0.5542(2) 0.0297(8) Uani 1 1 d . . .
O11 O 0.0927(2) 0.47504(12) -1.1010(2) 0.0256(8) Uani 1 1 d . . .
O12 O 0.1908(3) 0.54523(12) -1.1405(3) 0.0335(9) Uani 1 1 d . . .
O13 O 0.1400(3) 0.53129(15) -1.3121(2) 0.0387(10) Uani 1 1 d . . .
O14 O 0.0517(3) 0.45220(14) -1.3553(3) 0.0446(11) Uani 1 1 d . . .
O15 O 0.1866(2) 0.42947(12) -1.1516(2) 0.0313(9) Uani 1 1 d . . .
O16 O 0.2289(4) 0.37430(18) -1.2696(4) 0.0704(16) Uani 1 1 d . . .
O17 O -0.0307(2) 0.45655(11) -1.0347(2) 0.0226(8) Uani 1 1 d . . .
O18 O 0.1154(2) 0.41875(12) -0.9928(2) 0.0279(8) Uani 1 1 d . . .
O19 O 0.1038(2) 0.49613(12) -0.9560(2) 0.0268(8) Uani 1 1 d . . .
O21 O -0.0889(2) 0.44326(12) -0.7756(2) 0.0258(8) Uani 1 1 d . . .
O22 O -0.0756(3) 0.47894(13) -0.6268(2) 0.0362(9) Uani 1 1 d . . .
O23 O -0.1235(3) 0.40535(14) -0.5449(3) 0.0402(10) Uani 1 1 d . . .
O24 O -0.2001(3) 0.33898(13) -0.6544(3) 0.0384(10) Uani 1 1 d . . .
O25 O -0.2408(2) 0.43276(12) -0.7889(2) 0.0294(9) Uani 1 1 d . . .
O26 O -0.3958(3) 0.38528(15) -0.7781(3) 0.0448(11) Uani 1 1 d . . .
O27 O -0.1134(2) 0.48486(11) -0.9078(2) 0.0240(8) Uani 1 1 d . . .
O28 O -0.1097(3) 0.40451(12) -0.9079(2) 0.0277(8) Uani 1 1 d . . .
O29 O 0.0293(2) 0.44395(11) -0.8520(2) 0.0228(7) Uani 1 1 d . . .
O31 O 0.5800(2) 0.18919(11) -0.6312(2) 0.0226(7) Uani 1 1 d . . .
O32 O 0.6439(3) 0.22197(12) -0.7590(2) 0.0383(10) Uani 1 1 d . . .
O33 O 0.6521(3) 0.14525(12) -0.8537(2) 0.0302(9) Uani 1 1 d . . .
O34 O 0.6146(3) 0.06954(12) -0.7715(2) 0.0288(8) Uani 1 1 d . . .
O35 O 0.6973(2) 0.14098(11) -0.6014(2) 0.0243(8) Uani 1 1 d . . .
O36 O 0.7650(3) 0.05641(13) -0.5789(2) 0.0360(10) Uani 1 1 d . . .
O37 O 0.5782(2) 0.17538(11) -0.4818(2) 0.0238(8) Uani 1 1 d . . .
O38 O 0.6048(2) 0.24895(11) -0.5305(2) 0.0259(8) Uani 1 1 d . . .
O39 O 0.4550(2) 0.21474(11) -0.5765(2) 0.0233(8) Uani 1 1 d . . .
O41 O 0.3534(2) 0.22849(12) -0.3332(2) 0.0302(8) Uani 1 1 d . . .
O42 O 0.3622(3) 0.27347(14) -0.1894(3) 0.0445(11) Uani 1 1 d . . .
O43 O 0.2436(4) 0.2227(2) -0.1165(3) 0.0656(15) Uani 1 1 d . . .
O44 O 0.1605(4) 0.15534(16) -0.2248(3) 0.0598(14) Uani 1 1 d . . .
O45 O 0.2006(3) 0.23712(14) -0.3672(3) 0.0403(10) Uani 1 1 d . . .
O46 O 0.0253(3) 0.21076(18) -0.3858(3) 0.0611(15) Uani 1 1 d . . .
O47 O 0.3556(3) 0.26622(12) -0.4643(3) 0.0318(9) Uani 1 1 d . . .
O48 O 0.4903(2) 0.22889(12) -0.3878(2) 0.0258(8) Uani 1 1 d . . .
O49 O 0.3600(2) 0.18603(11) -0.4586(2) 0.0254(8) Uani 1 1 d . . .
O101 O 0.0299(5) 0.1747(3) 0.0032(4) 0.098(2) Uani 1 1 d . . .
O102 O 0.0312(5) 0.1933(3) -0.1193(5) 0.115(3) Uani 1 1 d . . .
O103 O 0.1081(8) 0.1377(3) -0.0669(6) 0.125(4) Uani 1 1 d . . .
O104 O 0.4191(3) 0.15727(14) -0.0793(3) 0.0471(11) Uani 1 1 d . . .
O105 O 0.5006(3) 0.16980(14) 0.0394(3) 0.0412(10) Uani 1 1 d . . .
O106 O 0.5352(3) 0.11888(13) -0.0351(3) 0.0392(10) Uani 1 1 d . . .
O107 O 0.7896(6) 0.3089(2) 0.0688(5) 0.103(3) Uani 1 1 d . . .
O108 O 0.7011(5) 0.2572(2) 0.1076(4) 0.083(2) Uani 1 1 d . . .
O109 O 0.8472(5) 0.2485(2) 0.1151(5) 0.095(2) Uani 1 1 d . . .
O110 O -0.4140(4) 0.47736(19) -0.7365(4) 0.0704(16) Uani 1 1 d . . .
O111 O -0.4505(4) 0.4662(2) -0.8648(4) 0.0794(19) Uani 1 1 d . . .
O112 O -0.3904(7) 0.52586(19) -0.8163(5) 0.116(3) Uani 1 1 d . . .
O113 O 0.4772(5) 0.97832(18) 0.4303(4) 0.096(3) Uani 1 1 d . . .
O114 O 0.4277(6) 0.9517(2) 0.5335(6) 0.104(3) Uani 1 1 d . . .
O115 O 0.5333(7) 0.9204(2) 0.4883(6) 0.122(3) Uani 1 1 d . . .
O116 O 0.8755(4) 0.2196(2) 0.3720(5) 0.094(2) Uani 1 1 d . . .
O117 O 0.8725(3) 0.2047(2) 0.4984(4) 0.093(3) Uani 1 1 d . . .
O118 O 0.9418(3) 0.16386(15) 0.4291(3) 0.0491(12) Uani 1 1 d . . .
O201 O -0.3035(4) 0.52915(17) -0.6179(3) 0.0600(14) Uani 1 1 d . . .
O202 O -0.2368(5) 0.4617(2) -0.4924(4) 0.086(2) Uani 1 1 d . . .
O203 O -0.1487(3) 0.30070(15) -0.5044(3) 0.0472(11) Uani 1 1 d . . .
O204 O 0.5965(4) 0.74771(19) 0.0099(4) 0.0734(17) Uani 1 1 d . . .
O205 O 0.5056(6) 0.8836(3) -0.0393(5) 0.119(3) Uani 1 1 d . . .
O206 O 0.5936(4) 0.93072(17) 0.1015(4) 0.0622(14) Uani 1 1 d . . .
O207 O 0.6709(3) 0.85087(17) 0.1244(4) 0.0673(17) Uani 1 1 d . . .
O208 O 0.7548(7) 0.8828(4) 0.4135(6) 0.150(4) Uani 1 1 d . . .
O209 O 0.9529(3) 0.88873(18) 0.4656(3) 0.0588(14) Uani 1 1 d . . .
O210 O 0.9742(5) 0.8025(2) 0.4162(5) 0.118(3) Uani 1 1 d . . .
O211 O 0.5989(3) 0.61242(15) 0.2311(3) 0.0484(11) Uani 1 1 d . . .
O212 O 0.8013(5) 0.5812(2) 0.3112(6) 0.118(3) Uani 1 1 d . . .
O213 O 0.9814(3) 0.55515(15) 0.3303(3) 0.0502(12) Uani 1 1 d . . .
O214 O 0.5694(3) 0.37665(14) 0.3836(3) 0.0470(11) Uani 1 1 d . . .
O215 O 0.6541(3) 0.29213(12) 0.3381(3) 0.0361(9) Uani 1 1 d . . .
O216 O 0.1084(4) 0.28079(17) -1.1022(4) 0.0655(15) Uani 1 1 d . . .
O217 O 0.2072(3) 0.34798(14) -1.0305(3) 0.0471(11) Uani 1 1 d . . .
O218 O 0.3969(4) 0.48728(17) -0.9810(3) 0.0646(15) Uani 1 1 d . . .
O219 O -0.0492(4) 0.2618(2) -1.0077(5) 0.097(2) Uani 1 1 d . . .
O220 O -0.0263(3) 0.50890(14) -1.4730(3) 0.0457(11) Uani 1 1 d . . .
O221 O 0.5865(3) -0.01907(15) -0.7653(3) 0.0534(12) Uani 1 1 d . . .
O222 O 0.6467(6) -0.0577(2) -0.6204(4) 0.123(4) Uani 1 1 d . . .
O223 O 0.8987(3) 0.11380(14) -0.7173(3) 0.0403(10) Uani 1 1 d . . .
O224 O 0.9287(3) 0.08265(15) -0.4953(3) 0.0480(11) Uani 1 1 d . . .
O225 O -0.0783(3) 0.08970(15) -0.9345(3) 0.0527(12) Uani 1 1 d . . .
O226 O 0.5446(5) 0.3018(2) 0.0249(4) 0.089(2) Uani 1 1 d . . .
O227 O 0.3820(4) 0.04579(15) 0.4889(3) 0.0534(13) Uani 1 1 d . . .
O228 O 0.6805(3) 0.33895(12) -0.4854(2) 0.0333(9) Uani 1 1 d . . .
O229 O 0.3629(3) 0.55869(13) -1.0685(2) 0.0349(9) Uani 1 1 d . . .
O230 O -0.1704(3) 0.15834(14) -0.8640(3) 0.0407(10) Uani 1 1 d . . .
N11 N -0.2275(3) 0.41146(14) -1.0608(3) 0.0288(10) Uani 1 1 d . . .
N12 N -0.1156(3) 0.37351(16) -1.1384(3) 0.0343(11) Uani 1 1 d . . .
N21 N 0.0700(4) 0.35346(17) -0.8043(3) 0.0404(13) Uani 1 1 d . . .
N22 N 0.2094(3) 0.39566(15) -0.8330(3) 0.0338(11) Uani 1 1 d . . .
N31 N -0.2354(3) 0.52994(14) -1.0304(3) 0.0246(9) Uani 1 1 d . . .
N32 N -0.1530(3) 0.50434(13) -1.1460(3) 0.0211(9) Uani 1 1 d . . .
N41 N 0.1535(3) 0.48266(15) -0.7176(3) 0.0284(10) Uani 1 1 d . . .
N42 N 0.2299(3) 0.52278(15) -0.8234(3) 0.0294(10) Uani 1 1 d . . .
N51 N 0.6861(3) 0.27061(14) -0.3636(3) 0.0285(10) Uani 1 1 d . . .
N52 N 0.5509(3) 0.31932(14) -0.3496(3) 0.0273(10) Uani 1 1 d . . .
N61 N 0.3755(3) 0.29098(15) -0.6895(3) 0.0324(11) Uani 1 1 d . . .
N62 N 0.2541(3) 0.25471(14) -0.6234(3) 0.0313(11) Uani 1 1 d . . .
N71 N 0.6899(3) 0.15244(14) -0.3342(3) 0.0257(10) Uani 1 1 d . . .
N72 N 0.5953(3) 0.19264(13) -0.2439(3) 0.0240(9) Uani 1 1 d . . .
N81 N 0.3351(3) 0.16668(14) -0.6961(3) 0.0242(9) Uani 1 1 d . . .
N82 N 0.2570(3) 0.13627(14) -0.5811(3) 0.0249(10) Uani 1 1 d . . .
N101 N 0.0565(6) 0.1686(4) -0.0602(5) 0.089(3) Uani 1 1 d . . .
N102 N 0.4856(3) 0.14806(16) -0.0244(3) 0.0324(11) Uani 1 1 d . . .
N103 N 0.7803(6) 0.2720(2) 0.0983(5) 0.072(2) Uani 1 1 d . . .
N104 N -0.4194(5) 0.4898(2) -0.8060(4) 0.0571(16) Uani 1 1 d . . .
N105 N 0.4777(8) 0.9501(3) 0.4815(7) 0.094(3) Uani 1 1 d . . .
N106 N 0.8969(4) 0.1956(2) 0.4337(4) 0.0548(17) Uani 1 1 d . . .
C11 C 0.1792(3) 0.46947(17) -1.1169(3) 0.0255(11) Uani 1 1 d . . .
C12 C 0.1942(4) 0.50470(19) -1.1752(3) 0.0302(12) Uani 1 1 d . . .
C13 C 0.1246(3) 0.50064(19) -1.2540(3) 0.0315(13) Uani 1 1 d . . .
C14 C 0.1279(4) 0.4576(2) -1.2909(4) 0.0356(14) Uani 1 1 d . . .
C15 C 0.1239(4) 0.4225(2) -1.2262(4) 0.0371(14) Uani 1 1 d . . .
C16 C 0.1408(5) 0.3782(2) -1.2527(5) 0.0503(17) Uani 1 1 d . . .
C21 C -0.1679(4) 0.45722(17) -0.7528(3) 0.0261(11) Uani 1 1 d . . .
C22 C -0.1517(4) 0.45406(18) -0.6593(3) 0.0281(12) Uani 1 1 d . . .
C23 C -0.1384(4) 0.40880(18) -0.6325(3) 0.0304(12) Uani 1 1 d . . .
C24 C -0.2177(4) 0.38278(18) -0.6731(4) 0.0320(12) Uani 1 1 d . . .
C25 C -0.2354(4) 0.38857(17) -0.7661(3) 0.0284(12) Uani 1 1 d . . .
C26 C -0.3219(4) 0.36946(19) -0.8092(4) 0.0369(14) Uani 1 1 d . . .
C31 C 0.6704(3) 0.18059(16) -0.6350(3) 0.0228(10) Uani 1 1 d . . .
C32 C 0.6788(4) 0.18253(17) -0.7245(3) 0.0268(11) Uani 1 1 d . . .
C33 C 0.6334(3) 0.14601(17) -0.7732(3) 0.0221(11) Uani 1 1 d . . .
C34 C 0.6636(3) 0.10433(16) -0.7306(3) 0.0227(11) Uani 1 1 d . . .
C35 C 0.6477(4) 0.10626(16) -0.6436(3) 0.0255(11) Uani 1 1 d . . .
C36 C 0.6726(4) 0.06750(18) -0.5933(4) 0.0325(13) Uani 1 1 d . . .
C41 C 0.2799(4) 0.25416(19) -0.3240(4) 0.0355(14) Uani 1 1 d . . .
C42 C 0.2795(4) 0.2573(2) -0.2334(4) 0.0384(14) Uani 1 1 d . . .
C43 C 0.2577(4) 0.2162(2) -0.1994(4) 0.0402(15) Uani 1 1 d . . .
C44 C 0.1742(4) 0.1972(2) -0.2494(4) 0.0433(16) Uani 1 1 d . . .
C45 C 0.1795(4) 0.19601(19) -0.3393(4) 0.0364(14) Uani 1 1 d . . .
C46 C 0.0950(4) 0.1832(3) -0.3954(5) 0.0520(18) Uani 1 1 d . . .
C101 C -0.2830(4) 0.42872(18) -1.0195(4) 0.0323(13) Uani 1 1 d . . .
C102 C -0.3643(4) 0.44649(19) -1.0589(4) 0.0390(14) Uani 1 1 d . . .
C103 C -0.3861(4) 0.44594(19) -1.1429(4) 0.0402(15) Uani 1 1 d . . .
C104 C -0.3303(4) 0.42753(18) -1.1875(4) 0.0344(14) Uani 1 1 d . . .
C105 C -0.3479(5) 0.4240(2) -1.2746(4) 0.0468(19) Uani 1 1 d . . .
C106 C -0.2931(5) 0.4032(2) -1.3150(4) 0.0490(19) Uani 1 1 d . . .
C107 C -0.2119(4) 0.3856(2) -1.2716(4) 0.0407(15) Uani 1 1 d . . .
C108 C -0.1495(5) 0.3626(2) -1.3069(4) 0.0484(19) Uani 1 1 d . . .
C109 C -0.0769(5) 0.3472(2) -1.2590(4) 0.0487(19) Uani 1 1 d . . .
C110 C -0.0612(4) 0.3521(2) -1.1734(4) 0.0400(15) Uani 1 1 d . . .
C111 C -0.1920(4) 0.38995(18) -1.1856(3) 0.0298(12) Uani 1 1 d . . .
C112 C -0.2508(4) 0.41053(18) -1.1446(4) 0.0306(13) Uani 1 1 d . . .
C113 C -0.0028(5) 0.3342(2) -0.7924(5) 0.051(2) Uani 1 1 d . . .
C114 C -0.0115(7) 0.3204(3) -0.7150(6) 0.073(3) Uani 1 1 d . . .
C115 C 0.0526(8) 0.3262(3) -0.6505(6) 0.071(3) Uani 1 1 d . . .
C116 C 0.1347(7) 0.3463(2) -0.6597(5) 0.064(3) Uani 1 1 d . . .
C117 C 0.2081(7) 0.3525(2) -0.5952(5) 0.064(2) Uani 1 1 d . . .
C118 C 0.2803(7) 0.3733(3) -0.6099(4) 0.068(3) Uani 1 1 d . . .
C119 C 0.2859(5) 0.3890(2) -0.6909(5) 0.0527(19) Uani 1 1 d . . .
C120 C 0.3558(6) 0.4115(2) -0.7111(5) 0.063(3) Uani 1 1 d . . .
C121 C 0.3550(5) 0.4255(2) -0.7914(5) 0.053(2) Uani 1 1 d . . .
C122 C 0.2776(4) 0.4172(2) -0.8515(4) 0.0390(15) Uani 1 1 d . . .
C123 C 0.2125(5) 0.3822(2) -0.7549(4) 0.0437(17) Uani 1 1 d . . .
C124 C 0.1372(5) 0.3596(2) -0.7399(4) 0.0414(16) Uani 1 1 d . . .
C125 C -0.2759(4) 0.5408(2) -0.9708(4) 0.0350(14) Uani 1 1 d . . .
C126 C -0.3585(4) 0.5604(2) -0.9865(4) 0.0421(15) Uani 1 1 d . . .
C127 C -0.3996(4) 0.5697(2) -1.0663(4) 0.0370(14) Uani 1 1 d . . .
C128 C -0.3580(4) 0.55806(17) -1.1306(4) 0.0275(12) Uani 1 1 d . . .
C129 C -0.3961(4) 0.56455(18) -1.2143(4) 0.0299(13) Uani 1 1 d . . .
C130 C -0.3555(4) 0.55177(19) -1.2731(4) 0.0320(13) Uani 1 1 d . . .
C131 C -0.2696(3) 0.53018(17) -1.2534(4) 0.0270(12) Uani 1 1 d . . .
C132 C -0.2246(4) 0.51432(18) -1.3127(3) 0.0265(12) Uani 1 1 d . . .
C133 C -0.1452(4) 0.49468(19) -1.2861(3) 0.0312(12) Uani 1 1 d . . .
C134 C -0.1106(3) 0.49023(18) -1.2023(3) 0.0243(11) Uani 1 1 d . . .
C135 C -0.2306(3) 0.52447(15) -1.1714(3) 0.0189(10) Uani 1 1 d . . .
C136 C -0.2755(3) 0.53846(17) -1.1087(3) 0.0233(11) Uani 1 1 d . . .
C137 C 0.1113(4) 0.46336(19) -0.6676(3) 0.0309(12) Uani 1 1 d . . .
C138 C 0.1466(4) 0.46020(19) -0.5817(3) 0.0339(13) Uani 1 1 d . . .
C139 C 0.2284(4) 0.47732(18) -0.5519(4) 0.0364(14) Uani 1 1 d . . .
C140 C 0.2753(4) 0.49727(18) -0.6053(3) 0.0329(13) Uani 1 1 d . . .
C141 C 0.3619(4) 0.5154(2) -0.5798(4) 0.0420(16) Uani 1 1 d . . .
C142 C 0.4021(4) 0.5360(2) -0.6340(4) 0.0396(15) Uani 1 1 d . . .
C143 C 0.3589(4) 0.5405(2) -0.7181(4) 0.0384(15) Uani 1 1 d . . .
C144 C 0.3956(4) 0.5610(2) -0.7778(4) 0.0461(17) Uani 1 1 d . . .
C145 C 0.3476(5) 0.5635(2) -0.8561(5) 0.0482(17) Uani 1 1 d . . .
C146 C 0.2648(4) 0.5433(2) -0.8772(4) 0.0349(14) Uani 1 1 d . . .
C147 C 0.2765(4) 0.52180(18) -0.7443(3) 0.0268(12) Uani 1 1 d . . .
C148 C 0.2340(3) 0.50037(16) -0.6880(3) 0.0262(11) Uani 1 1 d . . .
C149 C 0.7561(4) 0.24763(18) -0.3742(4) 0.0296(12) Uani 1 1 d . . .
C150 C 0.8260(4) 0.23859(19) -0.3097(4) 0.0367(14) Uani 1 1 d . . .
C151 C 0.8248(4) 0.25183(19) -0.2322(4) 0.0394(15) Uani 1 1 d . . .
C152 C 0.7518(4) 0.27583(19) -0.2192(3) 0.0328(13) Uani 1 1 d . . .
C153 C 0.7403(4) 0.2921(2) -0.1414(4) 0.0384(14) Uani 1 1 d . . .
C154 C 0.6680(5) 0.3135(2) -0.1337(4) 0.0403(15) Uani 1 1 d . . .
C155 C 0.6001(4) 0.32415(18) -0.2025(4) 0.0302(13) Uani 1 1 d . . .
C156 C 0.5246(4) 0.34830(19) -0.1999(4) 0.0362(14) Uani 1 1 d . . .
C157 C 0.4646(4) 0.35665(18) -0.2702(4) 0.0355(14) Uani 1 1 d . . .
C158 C 0.4807(4) 0.34169(18) -0.3441(4) 0.0325(13) Uani 1 1 d . . .
C159 C 0.6095(4) 0.30999(17) -0.2795(4) 0.0290(12) Uani 1 1 d . . .
C160 C 0.6850(4) 0.28512(17) -0.2870(3) 0.0273(12) Uani 1 1 d . . .
C161 C 0.4392(4) 0.30790(18) -0.7236(4) 0.0326(13) Uani 1 1 d . . .
C162 C 0.4299(5) 0.3159(2) -0.8063(4) 0.0428(15) Uani 1 1 d . . .
C163 C 0.3518(5) 0.3053(2) -0.8590(4) 0.0428(16) Uani 1 1 d . . .
C164 C 0.2836(4) 0.28624(18) -0.8268(4) 0.0330(13) Uani 1 1 d . . .
C165 C 0.1996(5) 0.2719(2) -0.8757(4) 0.0450(17) Uani 1 1 d . . .
C166 C 0.1392(4) 0.2526(2) -0.8410(4) 0.0422(16) Uani 1 1 d . . .
C167 C 0.1550(4) 0.2457(2) -0.7555(4) 0.0389(15) Uani 1 1 d . . .
C168 C 0.0939(4) 0.2259(2) -0.7151(4) 0.0422(15) Uani 1 1 d . . .
C169 C 0.1131(4) 0.2215(2) -0.6326(5) 0.0447(17) Uani 1 1 d . . .
C170 C 0.1950(4) 0.23721(18) -0.5863(4) 0.0351(14) Uani 1 1 d . . .
C171 C 0.2336(4) 0.25962(17) -0.7056(4) 0.0292(12) Uani 1 1 d . . .
C172 C 0.2995(4) 0.27954(18) -0.7427(4) 0.0313(13) Uani 1 1 d . . .
C173 C 0.7375(4) 0.13490(19) -0.3833(4) 0.0343(13) Uani 1 1 d . . .
C174 C 0.8230(4) 0.1188(2) -0.3526(4) 0.0463(17) Uani 1 1 d . . .
C175 C 0.8564(5) 0.1189(2) -0.2707(4) 0.0468(17) Uani 1 1 d . . .
C176 C 0.8053(4) 0.1364(2) -0.2170(4) 0.0370(14) Uani 1 1 d . . .
C177 C 0.8349(4) 0.1389(2) -0.1297(4) 0.0427(16) Uani 1 1 d . . .
C178 C 0.7863(5) 0.1592(2) -0.0837(4) 0.0439(16) Uani 1 1 d . . .
C179 C 0.7020(4) 0.17760(18) -0.1188(3) 0.0337(13) Uani 1 1 d . . .
C180 C 0.6493(5) 0.20094(19) -0.0751(4) 0.0381(15) Uani 1 1 d . . .
C181 C 0.5734(4) 0.21872(19) -0.1172(4) 0.0371(14) Uani 1 1 d . . .
C182 C 0.5467(4) 0.21429(17) -0.2010(3) 0.0297(12) Uani 1 1 d . . .
C183 C 0.6717(3) 0.17447(17) -0.2035(3) 0.0259(11) Uani 1 1 d . . .
C184 C 0.7225(4) 0.15317(17) -0.2527(3) 0.0277(12) Uani 1 1 d . . .
C185 C 0.3782(4) 0.18188(18) -0.7513(4) 0.0290(12) Uani 1 1 d . . .
C186 C 0.3442(4) 0.17810(18) -0.8347(3) 0.0315(13) Uani 1 1 d . . .
C187 C 0.2639(4) 0.15910(19) -0.8614(4) 0.0349(14) Uani 1 1 d . . .
C188 C 0.2174(4) 0.14276(17) -0.8050(3) 0.0290(12) Uani 1 1 d . . .
C189 C 0.1333(4) 0.12212(19) -0.8250(4) 0.0326(13) Uani 1 1 d . . .
C190 C 0.0935(4) 0.10563(19) -0.7671(4) 0.0305(13) Uani 1 1 d . . .
C191 C 0.1340(3) 0.10922(18) -0.6812(3) 0.0271(12) Uani 1 1 d . . .
C192 C 0.0979(4) 0.0930(2) -0.6181(4) 0.0344(13) Uani 1 1 d . . .
C193 C 0.1430(4) 0.09774(19) -0.5389(4) 0.0345(13) Uani 1 1 d . . .
C194 C 0.2223(4) 0.12001(17) -0.5227(3) 0.0292(12) Uani 1 1 d . . .
C195 C 0.2138(4) 0.13027(16) -0.6608(3) 0.0255(11) Uani 1 1 d . . .
C196 C 0.2572(4) 0.14667(15) -0.7226(3) 0.0238(11) Uani 1 1 d . . .
H1 H 0.2221 0.4718 -1.0674 0.038 Uiso 1 1 d . . .
H2 H 0.2511 0.5007 -1.1877 0.038 Uiso 1 1 d . . .
H3 H 0.0674 0.5048 -1.2425 0.038 Uiso 1 1 d . . .
H4 H 0.1807 0.4542 -1.3121 0.038 Uiso 1 1 d . . .
H5 H 0.0656 0.4231 -1.2140 0.038 Uiso 1 1 d . . .
H6 H 0.0985 0.3713 -1.3021 0.038 Uiso 1 1 d . . .
H7 H 0.1335 0.3583 -1.2118 0.038 Uiso 1 1 d . . .
H8 H -0.3188 0.3395 -0.8039 0.038 Uiso 1 1 d . . .
H9 H -0.3308 0.3763 -0.8666 0.038 Uiso 1 1 d . . .
H10 H -0.1785 0.4860 -0.7689 0.038 Uiso 1 1 d . . .
H11 H -0.2019 0.4653 -0.6410 0.038 Uiso 1 1 d . . .
H12 H -0.0866 0.3978 -0.6503 0.038 Uiso 1 1 d . . .
H13 H -0.2686 0.3917 -0.6513 0.038 Uiso 1 1 d . . .
H14 H -0.1880 0.3759 -0.7866 0.038 Uiso 1 1 d . . .
H15 H 0.2869 0.2816 -0.3459 0.038 Uiso 1 1 d . . .
H16 H 0.2343 0.2774 -0.2268 0.038 Uiso 1 1 d . . .
H17 H 0.3064 0.1967 -0.1973 0.038 Uiso 1 1 d . . .
H18 H 0.1246 0.2146 -0.2432 0.038 Uiso 1 1 d . . .
H19 H 0.2248 0.1766 -0.3455 0.038 Uiso 1 1 d . . .
H20 H 0.0798 0.1551 -0.3864 0.038 Uiso 1 1 d . . .
H21 H 0.1022 0.1855 -0.4521 0.038 Uiso 1 1 d . . .
H22 H 0.6393 0.0440 -0.6198 0.038 Uiso 1 1 d . . .
H23 H 0.6568 0.0714 -0.5411 0.038 Uiso 1 1 d . . .
H24 H 0.7070 0.2024 -0.6052 0.038 Uiso 1 1 d . . .
H25 H 0.7400 0.1819 -0.7266 0.038 Uiso 1 1 d . . .
H26 H 0.5709 0.1486 -0.7776 0.038 Uiso 1 1 d . . .
H27 H 0.7251 0.1003 -0.7298 0.038 Uiso 1 1 d . . .
H28 H 0.5861 0.1120 -0.6467 0.038 Uiso 1 1 d . . .
H29 H -0.2673 0.4293 -0.9621 0.038 Uiso 1 1 d . . .
H30 H -0.4035 0.4573 -1.0264 0.038 Uiso 1 1 d . . .
H31 H -0.4397 0.4593 -1.1687 0.038 Uiso 1 1 d . . .
H32 H -0.3995 0.4368 -1.3053 0.038 Uiso 1 1 d . . .
H33 H -0.3094 0.4008 -1.3733 0.038 Uiso 1 1 d . . .
H34 H -0.1595 0.3576 -1.3654 0.038 Uiso 1 1 d . . .
H35 H -0.0369 0.3317 -1.2832 0.038 Uiso 1 1 d . . .
H36 H -0.0083 0.3396 -1.1412 0.038 Uiso 1 1 d . . .
H37 H -0.2480 0.5350 -0.9148 0.038 Uiso 1 1 d . . .
H38 H -0.3872 0.5668 -0.9416 0.038 Uiso 1 1 d . . .
H39 H -0.4562 0.5837 -1.0778 0.038 Uiso 1 1 d . . .
H40 H -0.4519 0.5789 -1.2285 0.038 Uiso 1 1 d . . .
H41 H -0.3826 0.5571 -1.3296 0.038 Uiso 1 1 d . . .
H42 H -0.2496 0.5175 -1.3701 0.038 Uiso 1 1 d . . .
H43 H -0.1134 0.4839 -1.3254 0.038 Uiso 1 1 d . . .
H44 H -0.0543 0.4771 -1.1843 0.038 Uiso 1 1 d . . .
H45 H 0.2331 0.5453 -0.9327 0.038 Uiso 1 1 d . . .
H46 H 0.3706 0.5792 -0.8970 0.038 Uiso 1 1 d . . .
H47 H 0.4542 0.5735 -0.7629 0.038 Uiso 1 1 d . . .
H48 H 0.4592 0.5479 -0.6142 0.038 Uiso 1 1 d . . .
H49 H 0.3939 0.5123 -0.5244 0.038 Uiso 1 1 d . . .
H50 H 0.2544 0.4755 -0.4948 0.038 Uiso 1 1 d . . .
H51 H 0.1128 0.4470 -0.5456 0.038 Uiso 1 1 d . . .
H52 H 0.0550 0.4508 -0.6893 0.038 Uiso 1 1 d . . .
H53 H -0.0524 0.3300 -0.8401 0.038 Uiso 1 1 d . . .
H54 H -0.0656 0.3051 -0.7085 0.038 Uiso 1 1 d . . .
H55 H 0.0452 0.3170 -0.5968 0.038 Uiso 1 1 d . . .
H56 H 0.2089 0.3417 -0.5420 0.038 Uiso 1 1 d . . .
H57 H 0.3303 0.3783 -0.5650 0.038 Uiso 1 1 d . . .
H58 H 0.4071 0.4179 -0.6682 0.038 Uiso 1 1 d . . .
H59 H 0.4053 0.4411 -0.8047 0.038 Uiso 1 1 d . . .
H60 H 0.2737 0.4269 -0.9070 0.038 Uiso 1 1 d . . .
H61 H 0.2063 0.2358 -0.5271 0.038 Uiso 1 1 d . . .
H62 H 0.0724 0.2075 -0.6050 0.038 Uiso 1 1 d . . .
H63 H 0.0391 0.2158 -0.7460 0.038 Uiso 1 1 d . . .
H64 H 0.0853 0.2429 -0.8740 0.038 Uiso 1 1 d . . .
H65 H 0.1878 0.2763 -0.9342 0.038 Uiso 1 1 d . . .
H66 H 0.3441 0.3116 -0.9176 0.038 Uiso 1 1 d . . .
H67 H 0.4769 0.3279 -0.8268 0.038 Uiso 1 1 d . . .
H68 H 0.4939 0.3159 -0.6886 0.038 Uiso 1 1 d . . .
H69 H 0.2513 0.1238 -0.4670 0.038 Uiso 1 1 d . . .
H70 H 0.1215 0.0850 -0.4948 0.038 Uiso 1 1 d . . .
H71 H 0.0428 0.0774 -0.6293 0.038 Uiso 1 1 d . . .
H72 H 0.0384 0.0913 -0.7834 0.038 Uiso 1 1 d . . .
H73 H 0.1040 0.1196 -0.8811 0.038 Uiso 1 1 d . . .
H74 H 0.2414 0.1565 -0.9188 0.038 Uiso 1 1 d . . .
H75 H 0.3771 0.1892 -0.8726 0.038 Uiso 1 1 d . . .
H76 H 0.4339 0.1959 -0.7333 0.038 Uiso 1 1 d . . .
H77 H 0.4384 0.3482 -0.3933 0.038 Uiso 1 1 d . . .
H78 H 0.4116 0.3729 -0.2694 0.038 Uiso 1 1 d . . .
H79 H 0.5155 0.3594 -0.1483 0.038 Uiso 1 1 d . . .
H80 H 0.6623 0.3229 -0.0798 0.038 Uiso 1 1 d . . .
H81 H 0.7871 0.2877 -0.0946 0.038 Uiso 1 1 d . . .
H82 H 0.8712 0.2446 -0.1866 0.038 Uiso 1 1 d . . .
H83 H 0.8767 0.2227 -0.3208 0.038 Uiso 1 1 d . . .
H84 H 0.7573 0.2380 -0.4275 0.038 Uiso 1 1 d . . .
H85 H 0.4928 0.2270 -0.2289 0.038 Uiso 1 1 d . . .
H86 H 0.5349 0.2347 -0.0886 0.038 Uiso 1 1 d . . .
H87 H 0.6679 0.2052 -0.0166 0.038 Uiso 1 1 d . . .
H88 H 0.8078 0.1605 -0.0253 0.038 Uiso 1 1 d . . .
H89 H 0.8907 0.1266 -0.1059 0.038 Uiso 1 1 d . . .
H90 H 0.9132 0.1077 -0.2498 0.038 Uiso 1 1 d . . .
H91 H 0.8584 0.1082 -0.3900 0.038 Uiso 1 1 d . . .
H92 H 0.7138 0.1341 -0.4416 0.038 Uiso 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'
Cu Cu 0.3201 1.2651 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Cu1 O28 92.63(17) . . ?
O1 Cu1 N11 170.79(18) . . ?
O28 Cu1 N11 91.59(18) . . ?
O1 Cu1 N12 94.1(2) . . ?
O28 Cu1 N12 173.16(19) . . ?
N11 Cu1 N12 81.9(2) . . ?
O1 Cu1 O17 95.77(14) . . ?
O28 Cu1 O17 87.50(14) . . ?
N11 Cu1 O17 92.60(15) . . ?
N12 Cu1 O17 90.85(16) . . ?
O1 Cu2 O18 89.30(17) . . ?
O1 Cu2 N21 98.1(2) . . ?
O18 Cu2 N21 170.5(2) . . ?
O1 Cu2 N22 161.89(18) . . ?
O18 Cu2 N22 92.27(18) . . ?
N21 Cu2 N22 82.5(2) . . ?
O1 Cu2 O29 108.84(15) . . ?
O18 Cu2 O29 87.20(14) . . ?
N21 Cu2 O29 84.80(17) . . ?
N22 Cu2 O29 89.26(16) . . ?
O27 Cu3 O17 92.78(14) . . ?
O27 Cu3 N31 92.15(16) . . ?
O17 Cu3 N31 162.71(17) . . ?
O27 Cu3 N32 165.54(16) . . ?
O17 Cu3 N32 89.70(16) . . ?
N31 Cu3 N32 81.57(17) . . ?
O27 Cu3 O3 92.49(15) . . ?
O17 Cu3 O3 108.40(15) . . ?
N31 Cu3 O3 87.92(17) . . ?
N32 Cu3 O3 100.24(16) . . ?
O19 Cu4 O29 91.75(15) . . ?
O19 Cu4 N42 89.33(17) . . ?
O29 Cu4 N42 161.29(17) . . ?
O19 Cu4 N41 168.18(17) . . ?
O29 Cu4 N41 93.74(17) . . ?
N42 Cu4 N41 82.14(19) . . ?
O19 Cu4 O4 96.03(16) . . ?
O29 Cu4 O4 100.79(15) . . ?
N42 Cu4 O4 97.67(18) . . ?
N41 Cu4 O4 93.23(17) . . ?
O2 Cu5 O38 92.47(16) . . ?
O2 Cu5 N52 94.70(18) . . ?
O38 Cu5 N52 165.81(17) . . ?
O2 Cu5 N51 175.37(17) . . ?
O38 Cu5 N51 92.03(17) . . ?
N52 Cu5 N51 81.13(19) . . ?
O2 Cu5 O48 95.82(14) . . ?
O38 Cu5 O48 88.44(13) . . ?
N52 Cu5 O48 78.67(15) . . ?
N51 Cu5 O48 85.38(15) . . ?
O228 Cu5 O48 169.38(13) . . ?
O2 Cu6 O47 90.17(17) . . ?
O2 Cu6 N61 98.57(19) . . ?
O47 Cu6 N61 170.30(18) . . ?
O2 Cu6 N62 168.47(17) . . ?
O47 Cu6 N62 89.75(19) . . ?
N61 Cu6 N62 80.8(2) . . ?
O2 Cu6 O39 96.08(14) . . ?
O47 Cu6 O39 91.40(14) . . ?
N61 Cu6 O39 91.83(16) . . ?
N62 Cu6 O39 95.46(15) . . ?
O48 Cu7 O37 93.19(15) . . ?
O48 Cu7 N71 160.70(17) . . ?
O37 Cu7 N71 90.44(16) . . ?
O48 Cu7 N72 92.04(17) . . ?
O37 Cu7 N72 170.06(16) . . ?
N71 Cu7 N72 81.89(18) . . ?
O48 Cu7 O5 96.54(14) . . ?
O37 Cu7 O5 94.24(14) . . ?
N71 Cu7 O5 102.09(16) . . ?
N72 Cu7 O5 93.54(15) . . ?
O39 Cu8 O49 92.21(15) . . ?
O39 Cu8 N82 167.00(16) . . ?
O49 Cu8 N82 89.83(16) . . ?
O39 Cu8 N81 92.08(16) . . ?
O49 Cu8 N81 160.96(16) . . ?
N82 Cu8 N81 82.02(18) . . ?
O39 Cu8 O6 97.95(14) . . ?
O49 Cu8 O6 102.19(14) . . ?
N82 Cu8 O6 94.15(16) . . ?
N81 Cu8 O6 95.56(16) . . ?
O19 P1 O18 113.7(2) . . ?
O19 P1 O17 114.3(2) . . ?
O18 P1 O17 112.2(2) . . ?
O19 P1 O11 105.4(2) . . ?
O18 P1 O11 106.6(2) . . ?
O17 P1 O11 103.52(19) . . ?
O28 P2 O27 113.8(2) . . ?
O28 P2 O29 110.6(2) . . ?
O27 P2 O29 114.8(2) . . ?
O28 P2 O21 106.1(2) . . ?
O27 P2 O21 108.3(2) . . ?
O29 P2 O21 102.11(19) . . ?
O38 P3 O39 113.2(2) . . ?
O38 P3 O37 112.6(2) . . ?
O39 P3 O37 112.7(2) . . ?
O38 P3 O31 107.2(2) . . ?
O39 P3 O31 102.15(19) . . ?
O37 P3 O31 108.1(2) . . ?
O47 P4 O48 112.6(2) . . ?
O47 P4 O49 114.0(2) . . ?
O48 P4 O49 112.1(2) . . ?
O47 P4 O41 106.7(2) . . ?
O48 P4 O41 104.4(2) . . ?
O49 P4 O41 106.2(2) . . ?
Cu2 O1 Cu1 115.8(2) . . ?
Cu6 O2 Cu5 123.4(2) . . ?
C11 O11 P1 121.1(3) . . ?
C11 O15 C15 113.7(4) . . ?
P1 O17 Cu3 128.3(2) . . ?
P1 O17 Cu1 121.89(19) . . ?
Cu3 O17 Cu1 103.56(14) . . ?
P1 O18 Cu2 123.5(2) . . ?
P1 O19 Cu4 123.2(2) . . ?
C21 O21 P2 124.5(3) . . ?
C21 O25 C25 115.0(4) . . ?
P2 O27 Cu3 124.2(2) . . ?
P2 O28 Cu1 126.2(2) . . ?
P2 O29 Cu4 130.2(2) . . ?
P2 O29 Cu2 114.96(19) . . ?
Cu4 O29 Cu2 109.74(15) . . ?
C31 O31 P3 121.1(3) . . ?
C31 O35 C35 113.6(4) . . ?
P3 O37 Cu7 126.9(2) . . ?
P3 O38 Cu5 123.0(2) . . ?
P3 O39 Cu8 124.4(2) . . ?
P3 O39 Cu6 126.7(2) . . ?
Cu8 O39 Cu6 103.77(14) . . ?
C41 O41 P4 122.5(4) . . ?
C41 O45 C45 114.4(5) . . ?
P4 O47 Cu6 124.0(2) . . ?
P4 O48 Cu7 130.1(2) . . ?
P4 O48 Cu5 117.6(2) . . ?
Cu7 O48 Cu5 103.29(14) . . ?
P4 O49 Cu8 125.3(2) . . ?
C101 N11 C112 118.4(5) . . ?
C101 N11 Cu1 128.9(4) . . ?
C112 N11 Cu1 112.7(4) . . ?
C110 N12 C111 119.5(6) . . ?
C110 N12 Cu1 129.1(5) . . ?
C111 N12 Cu1 111.4(4) . . ?
C113 N21 C124 119.1(6) . . ?
C113 N21 Cu2 128.4(5) . . ?
C124 N21 Cu2 112.0(4) . . ?
C122 N22 C123 120.0(6) . . ?
C122 N22 Cu2 128.6(4) . . ?
C123 N22 Cu2 111.3(5) . . ?
C125 N31 C136 118.8(5) . . ?
C125 N31 Cu3 128.7(4) . . ?
C136 N31 Cu3 112.5(3) . . ?
C134 N32 C135 118.1(4) . . ?
C134 N32 Cu3 129.0(3) . . ?
C135 N32 Cu3 112.9(3) . . ?
C137 N41 C148 119.7(5) . . ?
C137 N41 Cu4 128.5(4) . . ?
C148 N41 Cu4 111.8(4) . . ?
C146 N42 C147 117.6(5) . . ?
C146 N42 Cu4 129.3(4) . . ?
C147 N42 Cu4 113.1(4) . . ?
C149 N51 C160 118.0(5) . . ?
C149 N51 Cu5 129.0(4) . . ?
C160 N51 Cu5 113.0(4) . . ?
C158 N52 C159 118.2(5) . . ?
C158 N52 Cu5 128.5(4) . . ?
C159 N52 Cu5 112.9(4) . . ?
C161 N61 C172 115.8(5) . . ?
C161 N61 Cu6 129.2(4) . . ?
C172 N61 Cu6 115.0(4) . . ?
C170 N62 C171 118.6(5) . . ?
C170 N62 Cu6 128.8(5) . . ?
C171 N62 Cu6 112.5(4) . . ?
C173 N71 C184 119.1(5) . . ?
C173 N71 Cu7 127.7(4) . . ?
C184 N71 Cu7 113.0(4) . . ?
C182 N72 C183 118.6(5) . . ?
C182 N72 Cu7 129.3(4) . . ?
C183 N72 Cu7 112.1(3) . . ?
C185 N81 C196 118.6(5) . . ?
C185 N81 Cu8 129.1(4) . . ?
C196 N81 Cu8 112.3(3) . . ?
C194 N82 C195 118.3(5) . . ?
C194 N82 Cu8 128.9(4) . . ?
C195 N82 Cu8 112.7(4) . . ?
O101 N101 O102 118.5(12) . . ?
O101 N101 O103 121.2(9) . . ?
O102 N101 O103 120.3(10) . . ?
O106 N102 O105 121.3(5) . . ?
O106 N102 O104 120.3(5) . . ?
O105 N102 O104 118.4(5) . . ?
O109 N103 O107 118.1(8) . . ?
O109 N103 O108 119.4(7) . . ?
O107 N103 O108 122.4(8) . . ?
O110 N104 O112 118.1(7) . . ?
O110 N104 O111 119.9(7) . . ?
O112 N104 O111 122.0(7) . . ?
O113 N105 O115 120.6(13) . . ?
O113 N105 O114 121.5(11) . . ?
O115 N105 O114 117.6(10) . . ?
O118 N106 O117 121.0(8) . . ?
O118 N106 O116 119.7(7) . . ?
O117 N106 O116 119.3(7) . . ?
O15 C11 O11 110.2(4) . . ?
O15 C11 C12 110.9(4) . . ?
O11 C11 C12 107.3(4) . . ?
O15 C11 H1 109.2(5) . . ?
O11 C11 H1 110.1(5) . . ?
C12 C11 H1 109.1(5) . . ?
O12 C12 C13 110.6(5) . . ?
O12 C12 C11 112.1(4) . . ?
C13 C12 C11 108.5(4) . . ?
O12 C12 H2 108.9(5) . . ?
C13 C12 H2 108.7(5) . . ?
C11 C12 H2 107.9(5) . . ?
O13 C13 C14 108.2(5) . . ?
O13 C13 C12 110.1(4) . . ?
C14 C13 C12 110.7(5) . . ?
O13 C13 H3 109.6(5) . . ?
C14 C13 H3 108.6(5) . . ?
C12 C13 H3 109.7(5) . . ?
O14 C14 C13 109.0(5) . . ?
O14 C14 C15 107.0(5) . . ?
C13 C14 C15 110.7(5) . . ?
O14 C14 H4 109.8(5) . . ?
C13 C14 H4 110.9(5) . . ?
C15 C14 H4 109.4(6) . . ?
O15 C15 C16 105.8(5) . . ?
O15 C15 C14 112.2(5) . . ?
C16 C15 C14 115.2(5) . . ?
O15 C15 H5 108.0(5) . . ?
C16 C15 H5 107.9(6) . . ?
C14 C15 H5 107.6(6) . . ?
O16 C16 C15 111.2(5) . . ?
O16 C16 H6 108.2(7) . . ?
C15 C16 H6 109.4(6) . . ?
O16 C16 H7 109.7(6) . . ?
C15 C16 H7 110.5(7) . . ?
H6 C16 H7 107.7(7) . . ?
O25 C21 O21 112.0(4) . . ?
O25 C21 C22 110.8(4) . . ?
O21 C21 C22 106.3(4) . . ?
O25 C21 H10 109.1(5) . . ?
O21 C21 H10 109.2(5) . . ?
C22 C21 H10 109.5(5) . . ?
O22 C22 C23 111.0(5) . . ?
O22 C22 C21 107.7(4) . . ?
C23 C22 C21 110.5(4) . . ?
O22 C22 H11 109.4(5) . . ?
C23 C22 H11 109.3(5) . . ?
C21 C22 H11 108.9(5) . . ?
O23 C23 C22 111.1(4) . . ?
O23 C23 C24 111.3(4) . . ?
C22 C23 C24 109.5(5) . . ?
O23 C23 H12 108.2(5) . . ?
C22 C23 H12 108.6(5) . . ?
C24 C23 H12 108.0(5) . . ?
O24 C24 C23 109.0(5) . . ?
O24 C24 C25 108.9(5) . . ?
C23 C24 C25 110.6(4) . . ?
O24 C24 H13 109.3(5) . . ?
C23 C24 H13 108.5(5) . . ?
C25 C24 H13 110.6(5) . . ?
O25 C25 C26 105.2(4) . . ?
O25 C25 C24 111.7(4) . . ?
C26 C25 C24 113.2(5) . . ?
O25 C25 H14 108.6(5) . . ?
C26 C25 H14 109.3(5) . . ?
C24 C25 H14 108.7(5) . . ?
O26 C26 C25 112.4(5) . . ?
O26 C26 H8 110.0(5) . . ?
C25 C26 H8 109.3(5) . . ?
O26 C26 H9 108.4(5) . . ?
C25 C26 H9 108.6(5) . . ?
H8 C26 H9 108.1(6) . . ?
O35 C31 O31 111.4(4) . . ?
O35 C31 C32 110.5(4) . . ?
O31 C31 C32 108.1(4) . . ?
O35 C31 H24 109.7(5) . . ?
O31 C31 H24 108.4(4) . . ?
C32 C31 H24 108.6(5) . . ?
O32 C32 C33 110.8(4) . . ?
O32 C32 C31 109.2(4) . . ?
C33 C32 C31 112.1(4) . . ?
O32 C32 H25 107.4(5) . . ?
C33 C32 H25 108.7(5) . . ?
C31 C32 H25 108.5(5) . . ?
O33 C33 C32 111.2(4) . . ?
O33 C33 C34 108.8(4) . . ?
C32 C33 C34 110.3(4) . . ?
O33 C33 H26 108.7(4) . . ?
C32 C33 H26 109.3(5) . . ?
C34 C33 H26 108.6(5) . . ?
O34 C34 C33 111.1(4) . . ?
O34 C34 C35 108.3(4) . . ?
C33 C34 C35 108.5(4) . . ?
O34 C34 H27 109.5(4) . . ?
C33 C34 H27 109.4(4) . . ?
C35 C34 H27 110.1(5) . . ?
O35 C35 C36 107.4(4) . . ?
O35 C35 C34 108.9(4) . . ?
C36 C35 C34 115.5(4) . . ?
O35 C35 H28 107.9(4) . . ?
C36 C35 H28 109.0(5) . . ?
C34 C35 H28 107.9(5) . . ?
O36 C36 C35 115.4(5) . . ?
O36 C36 H22 108.0(5) . . ?
C35 C36 H22 108.8(5) . . ?
O36 C36 H23 107.7(5) . . ?
C35 C36 H23 108.8(5) . . ?
H22 C36 H23 107.8(6) . . ?
O45 C41 O41 111.0(5) . . ?
O45 C41 C42 111.1(5) . . ?
O41 C41 C42 108.0(5) . . ?
O45 C41 H15 107.9(6) . . ?
O41 C41 H15 108.7(5) . . ?
C42 C41 H15 110.2(5) . . ?
O42 C42 C43 111.3(5) . . ?
O42 C42 C41 110.6(5) . . ?
C43 C42 C41 111.7(5) . . ?
O42 C42 H16 107.3(5) . . ?
C43 C42 H16 107.9(5) . . ?
C41 C42 H16 107.8(6) . . ?
O43 C43 C42 109.1(5) . . ?
O43 C43 C44 107.8(5) . . ?
C42 C43 C44 111.7(6) . . ?
O43 C43 H17 108.7(6) . . ?
C42 C43 H17 109.6(5) . . ?
C44 C43 H17 109.8(6) . . ?
O44 C44 C43 111.8(6) . . ?
O44 C44 C45 107.7(5) . . ?
C43 C44 C45 110.2(5) . . ?
O44 C44 H18 109.4(6) . . ?
C43 C44 H18 108.8(6) . . ?
C45 C44 H18 108.8(6) . . ?
O45 C45 C46 105.4(6) . . ?
O45 C45 C44 111.0(5) . . ?
C46 C45 C44 114.1(5) . . ?
O45 C45 H19 109.1(5) . . ?
C46 C45 H19 109.0(6) . . ?
C44 C45 H19 108.1(6) . . ?
O46 C46 C45 110.5(5) . . ?
O46 C46 H20 110.1(6) . . ?
C45 C46 H20 111.7(7) . . ?
O46 C46 H21 107.6(7) . . ?
C45 C46 H21 109.2(6) . . ?
H20 C46 H21 107.7(7) . . ?
N11 C101 C102 122.2(6) . . ?
N11 C101 H29 118.6(6) . . ?
C102 C101 H29 119.2(6) . . ?
C103 C102 C101 118.7(6) . . ?
C103 C102 H30 122.2(6) . . ?
C101 C102 H30 119.0(7) . . ?
C102 C103 C104 120.4(6) . . ?
C102 C103 H31 117.9(7) . . ?
C104 C103 H31 121.7(7) . . ?
C103 C104 C112 117.8(6) . . ?
C103 C104 C105 124.9(6) . . ?
C112 C104 C105 117.3(6) . . ?
C106 C105 C104 122.3(6) . . ?
C106 C105 H32 118.8(7) . . ?
C104 C105 H32 119.0(8) . . ?
C105 C106 C107 120.6(6) . . ?
C105 C106 H33 118.6(8) . . ?
C107 C106 H33 120.7(8) . . ?
C106 C107 C108 125.9(6) . . ?
C106 C107 C111 117.8(6) . . ?
C108 C107 C111 116.2(6) . . ?
C109 C108 C107 119.7(6) . . ?
C109 C108 H34 119.3(8) . . ?
C107 C108 H34 121.0(8) . . ?
C108 C109 C110 121.4(6) . . ?
C108 C109 H35 118.6(7) . . ?
C110 C109 H35 119.9(8) . . ?
N12 C110 C109 121.0(7) . . ?
N12 C110 H36 120.8(6) . . ?
C109 C110 H36 118.2(6) . . ?
N12 C111 C112 117.3(5) . . ?
N12 C111 C107 121.9(6) . . ?
C112 C111 C107 120.8(6) . . ?
N11 C112 C111 116.4(5) . . ?
N11 C112 C104 122.4(6) . . ?
C111 C112 C104 121.1(6) . . ?
N21 C113 C114 121.7(8) . . ?
N21 C113 H53 118.8(7) . . ?
C114 C113 H53 119.5(8) . . ?
C115 C114 C113 120.9(9) . . ?
C115 C114 H54 119.3(9) . . ?
C113 C114 H54 119.8(11) . . ?
C114 C115 C116 120.2(7) . . ?
C114 C115 H55 120.1(11) . . ?
C116 C115 H55 119.7(11) . . ?
C117 C116 C124 120.7(9) . . ?
C117 C116 C115 124.4(8) . . ?
C124 C116 C115 114.9(8) . . ?
C118 C117 C116 119.4(8) . . ?
C118 C117 H56 119.2(10) . . ?
C116 C117 H56 121.4(11) . . ?
C117 C118 C119 122.5(8) . . ?
C117 C118 H57 119.5(9) . . ?
C119 C118 H57 118.0(11) . . ?
C120 C119 C123 116.0(7) . . ?
C120 C119 C118 126.4(8) . . ?
C123 C119 C118 117.5(8) . . ?
C121 C120 C119 122.2(6) . . ?
C121 C120 H58 118.9(10) . . ?
C119 C120 H58 118.9(9) . . ?
C120 C121 C122 117.3(7) . . ?
C120 C121 H59 121.1(7) . . ?
C122 C121 H59 121.6(8) . . ?
N22 C122 C121 121.3(7) . . ?
N22 C122 H60 118.9(6) . . ?
C121 C122 H60 119.9(7) . . ?
N22 C123 C119 123.1(7) . . ?
N22 C123 C124 116.7(6) . . ?
C119 C123 C124 120.1(6) . . ?
N21 C124 C116 123.3(8) . . ?
N21 C124 C123 117.1(5) . . ?
C116 C124 C123 119.6(7) . . ?
N31 C125 C126 121.8(5) . . ?
N31 C125 H37 119.6(5) . . ?
C126 C125 H37 118.6(5) . . ?
C125 C126 C127 119.9(6) . . ?
C125 C126 H38 119.6(6) . . ?
C127 C126 H38 120.5(6) . . ?
C126 C127 C128 119.1(5) . . ?
C126 C127 H39 120.6(6) . . ?
C128 C127 H39 120.4(6) . . ?
C136 C128 C127 116.7(5) . . ?
C136 C128 C129 119.9(5) . . ?
C127 C128 C129 123.4(5) . . ?
C130 C129 C128 121.3(5) . . ?
C130 C129 H40 119.7(6) . . ?
C128 C129 H40 119.0(6) . . ?
C129 C130 C131 121.0(5) . . ?
C129 C130 H41 119.5(6) . . ?
C131 C130 H41 119.6(6) . . ?
C135 C131 C132 117.9(5) . . ?
C135 C131 C130 118.2(5) . . ?
C132 C131 C130 123.9(5) . . ?
C133 C132 C131 118.0(5) . . ?
C133 C132 H42 121.6(6) . . ?
C131 C132 H42 120.4(5) . . ?
C132 C133 C134 120.5(5) . . ?
C132 C133 H43 119.3(5) . . ?
C134 C133 H43 120.2(5) . . ?
N32 C134 C133 122.0(5) . . ?
N32 C134 H44 118.1(5) . . ?
C133 C134 H44 119.9(5) . . ?
N32 C135 C131 123.5(5) . . ?
N32 C135 C136 116.4(4) . . ?
C131 C135 C136 120.0(5) . . ?
N31 C136 C128 123.8(5) . . ?
N31 C136 C135 116.6(4) . . ?
C128 C136 C135 119.5(5) . . ?
N41 C137 C138 122.3(5) . . ?
N41 C137 H52 119.0(5) . . ?
C138 C137 H52 118.8(6) . . ?
C139 C138 C137 118.1(6) . . ?
C139 C138 H51 121.2(6) . . ?
C137 C138 H51 120.7(6) . . ?
C138 C139 C140 120.2(5) . . ?
C138 C139 H50 120.4(7) . . ?
C140 C139 H50 119.4(6) . . ?
C148 C140 C139 117.7(5) . . ?
C148 C140 C141 118.3(6) . . ?
C139 C140 C141 124.0(6) . . ?
C142 C141 C140 121.0(6) . . ?
C142 C141 H49 118.3(6) . . ?
C140 C141 H49 120.7(7) . . ?
C141 C142 C143 120.9(6) . . ?
C141 C142 H48 118.1(6) . . ?
C143 C142 H48 121.0(7) . . ?
C147 C143 C144 116.7(6) . . ?
C147 C143 C142 118.7(6) . . ?
C144 C143 C142 124.5(6) . . ?
C145 C144 C143 119.2(6) . . ?
C145 C144 H47 121.2(7) . . ?
C143 C144 H47 119.7(7) . . ?
C144 C145 C146 120.1(6) . . ?
C144 C145 H46 119.9(7) . . ?
C146 C145 H46 120.0(7) . . ?
N42 C146 C145 122.1(6) . . ?
N42 C146 H45 119.7(6) . . ?
C145 C146 H45 118.2(6) . . ?
N42 C147 C143 124.2(5) . . ?
N42 C147 C148 115.1(5) . . ?
C143 C147 C148 120.7(5) . . ?
N41 C148 C140 121.9(5) . . ?
N41 C148 C147 117.8(5) . . ?
C140 C148 C147 120.3(5) . . ?
N51 C149 C150 121.8(6) . . ?
N51 C149 H84 117.9(6) . . ?
C150 C149 H84 120.2(6) . . ?
C151 C150 C149 121.0(6) . . ?
C151 C150 H83 120.2(6) . . ?
C149 C150 H83 118.9(6) . . ?
C150 C151 C152 118.4(6) . . ?
C150 C151 H82 121.8(7) . . ?
C152 C151 H82 119.8(7) . . ?
C160 C152 C151 118.0(6) . . ?
C160 C152 C153 116.7(6) . . ?
C151 C152 C153 125.3(6) . . ?
C154 C153 C152 121.7(6) . . ?
C154 C153 H81 120.1(7) . . ?
C152 C153 H81 118.2(6) . . ?
C153 C154 C155 122.4(6) . . ?
C153 C154 H80 118.6(7) . . ?
C155 C154 H80 119.0(7) . . ?
C159 C155 C156 116.3(6) . . ?
C159 C155 C154 117.9(6) . . ?
C156 C155 C154 125.7(6) . . ?
C157 C156 C155 120.3(5) . . ?
C157 C156 H79 120.0(6) . . ?
C155 C156 H79 119.8(7) . . ?
C156 C157 C158 118.9(5) . . ?
C156 C157 H78 121.3(6) . . ?
C158 C157 H78 119.8(7) . . ?
N52 C158 C157 123.0(6) . . ?
N52 C158 H77 118.9(6) . . ?
C157 C158 H77 118.1(6) . . ?
N52 C159 C155 123.3(5) . . ?
N52 C159 C160 117.1(5) . . ?
C155 C159 C160 119.6(5) . . ?
N51 C160 C152 122.7(5) . . ?
N51 C160 C159 115.6(5) . . ?
C152 C160 C159 121.6(5) . . ?
N61 C161 C162 124.0(6) . . ?
N61 C161 H68 118.5(6) . . ?
C162 C161 H68 117.5(6) . . ?
C161 C162 C163 119.5(6) . . ?
C161 C162 H67 120.3(7) . . ?
C163 C162 H67 120.2(7) . . ?
C162 C163 C164 118.9(6) . . ?
C162 C163 H66 119.9(7) . . ?
C164 C163 H66 121.2(7) . . ?
C172 C164 C163 117.2(5) . . ?
C172 C164 C165 118.3(6) . . ?
C163 C164 C165 124.5(6) . . ?
C166 C165 C164 121.1(6) . . ?
C166 C165 H65 119.8(7) . . ?
C164 C165 H65 119.1(7) . . ?
C165 C166 C167 120.9(6) . . ?
C165 C166 H64 120.0(7) . . ?
C167 C166 H64 119.0(7) . . ?
C171 C167 C168 116.1(6) . . ?
C171 C167 C166 120.2(6) . . ?
C168 C167 C166 123.7(6) . . ?
C169 C168 C167 120.0(6) . . ?
C169 C168 H63 120.3(7) . . ?
C167 C168 H63 119.7(7) . . ?
C168 C169 C170 120.1(6) . . ?
C168 C169 H62 120.3(6) . . ?
C170 C169 H62 119.6(7) . . ?
N62 C170 C169 120.7(6) . . ?
N62 C170 H61 119.7(6) . . ?
C169 C170 H61 119.5(6) . . ?
N62 C171 C167 124.4(6) . . ?
N62 C171 C172 116.4(5) . . ?
C167 C171 C172 119.1(6) . . ?
N61 C172 C164 124.6(5) . . ?
N61 C172 C171 115.1(5) . . ?
C164 C172 C171 120.3(5) . . ?
N71 C173 C174 121.4(5) . . ?
N71 C173 H92 119.1(6) . . ?
C174 C173 H92 119.5(6) . . ?
C175 C174 C173 120.1(6) . . ?
C175 C174 H91 120.0(6) . . ?
C173 C174 H91 119.9(6) . . ?
C174 C175 C176 119.2(6) . . ?
C174 C175 H90 120.5(7) . . ?
C176 C175 H90 120.3(7) . . ?
C184 C176 C175 117.0(6) . . ?
C184 C176 C177 119.1(6) . . ?
C175 C176 C177 123.9(6) . . ?
C178 C177 C176 120.5(6) . . ?
C178 C177 H89 121.3(6) . . ?
C176 C177 H89 118.3(7) . . ?
C177 C178 C179 121.7(6) . . ?
C177 C178 H88 118.9(7) . . ?
C179 C178 H88 119.4(7) . . ?
C183 C179 C180 116.7(6) . . ?
C183 C179 C178 118.2(6) . . ?
C180 C179 C178 124.9(6) . . ?
C181 C180 C179 118.6(5) . . ?
C181 C180 H87 120.8(6) . . ?
C179 C180 H87 120.6(7) . . ?
C180 C181 C182 122.0(6) . . ?
C180 C181 H86 120.6(6) . . ?
C182 C181 H86 117.4(6) . . ?
N72 C182 C181 120.8(6) . . ?
N72 C182 H85 119.1(5) . . ?
C181 C182 H85 120.1(5) . . ?
N72 C183 C179 123.4(5) . . ?
N72 C183 C184 116.1(5) . . ?
C179 C183 C184 120.5(5) . . ?
N71 C184 C176 123.0(5) . . ?
N71 C184 C183 117.0(5) . . ?
C176 C184 C183 119.9(5) . . ?
N81 C185 C186 121.5(5) . . ?
N81 C185 H76 119.4(5) . . ?
C186 C185 H76 119.1(6) . . ?
C187 C186 C185 119.9(5) . . ?
C187 C186 H75 121.0(6) . . ?
C185 C186 H75 119.1(6) . . ?
C186 C187 C188 119.9(5) . . ?
C186 C187 H74 119.1(6) . . ?
C188 C187 H74 120.9(6) . . ?
C196 C188 C187 116.7(5) . . ?
C196 C188 C189 118.0(5) . . ?
C187 C188 C189 125.3(5) . . ?
C190 C189 C188 122.1(5) . . ?
C190 C189 H73 118.3(6) . . ?
C188 C189 H73 119.6(6) . . ?
C189 C190 C191 120.7(5) . . ?
C189 C190 H72 119.3(6) . . ?
C191 C190 H72 120.0(6) . . ?
C195 C191 C192 117.8(5) . . ?
C195 C191 C190 117.8(5) . . ?
C192 C191 C190 124.3(5) . . ?
C193 C192 C191 119.2(5) . . ?
C193 C192 H71 119.7(6) . . ?
C191 C192 H71 121.0(6) . . ?
C192 C193 C194 119.8(6) . . ?
C192 C193 H70 120.6(6) . . ?
C194 C193 H70 119.6(6) . . ?
N82 C194 C193 122.1(5) . . ?
N82 C194 H69 119.5(6) . . ?
C193 C194 H69 118.4(6) . . ?
N82 C195 C191 122.6(5) . . ?
N82 C195 C196 116.0(5) . . ?
C191 C195 C196 121.3(5) . . ?
N81 C196 C188 123.4(5) . . ?
N81 C196 C195 116.6(5) . . ?
C188 C196 C195 120.0(5) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 O1 1.927(4) . ?
Cu1 O28 1.933(4) . ?
Cu1 N11 2.013(5) . ?
Cu1 N12 2.031(5) . ?
Cu1 O17 2.534(3) . ?
Cu2 O1 1.913(4) . ?
Cu2 O18 1.948(4) . ?
Cu2 N21 2.009(5) . ?
Cu2 N22 2.021(5) . ?
Cu2 O29 2.421(4) . ?
Cu3 O27 1.955(4) . ?
Cu3 O17 1.957(4) . ?
Cu3 N31 2.025(4) . ?
Cu3 N32 2.026(4) . ?
Cu3 O3 2.274(4) . ?
Cu4 O19 1.931(3) . ?
Cu4 O29 1.977(4) . ?
Cu4 N42 2.007(5) . ?
Cu4 N41 2.012(4) . ?
Cu4 O4 2.212(4) . ?
Cu5 O2 1.943(4) . ?
Cu5 O38 1.983(4) . ?
Cu5 N52 2.021(5) . ?
Cu5 N51 2.045(5) . ?
Cu5 O48 2.697(4) . ?
Cu6 O2 1.929(4) . ?
Cu6 O47 1.939(4) . ?
Cu6 N61 1.989(5) . ?
Cu6 N62 2.059(5) . ?
Cu6 O39 2.385(3) . ?
Cu7 O48 1.943(4) . ?
Cu7 O37 1.958(4) . ?
Cu7 N71 1.990(5) . ?
Cu7 N72 2.022(4) . ?
Cu7 O5 2.287(4) . ?
Cu8 O39 1.954(3) . ?
Cu8 O49 1.976(4) . ?
Cu8 N82 1.999(4) . ?
Cu8 N81 2.032(4) . ?
Cu8 O6 2.232(4) . ?
P1 O19 1.512(4) . ?
P1 O18 1.519(4) . ?
P1 O17 1.524(4) . ?
P1 O11 1.609(4) . ?
P2 O28 1.512(4) . ?
P2 O27 1.521(4) . ?
P2 O29 1.523(4) . ?
P2 O21 1.601(4) . ?
P3 O38 1.506(4) . ?
P3 O39 1.523(4) . ?
P3 O37 1.529(4) . ?
P3 O31 1.608(4) . ?
P4 O47 1.503(4) . ?
P4 O48 1.510(4) . ?
P4 O49 1.523(4) . ?
P4 O41 1.611(4) . ?
O11 C11 1.425(6) . ?
O12 C12 1.412(7) . ?
O13 C13 1.426(7) . ?
O14 C14 1.436(7) . ?
O15 C11 1.406(7) . ?
O15 C15 1.432(7) . ?
O16 C16 1.450(9) . ?
O21 C21 1.422(6) . ?
O22 C22 1.428(7) . ?
O23 C23 1.438(6) . ?
O24 C24 1.434(7) . ?
O25 C21 1.398(6) . ?
O25 C25 1.446(6) . ?
O26 C26 1.437(8) . ?
O31 C31 1.436(6) . ?
O32 C32 1.432(7) . ?
O33 C33 1.430(6) . ?
O34 C34 1.429(6) . ?
O35 C31 1.401(6) . ?
O35 C35 1.440(6) . ?
O36 C36 1.442(7) . ?
O41 C41 1.429(7) . ?
O42 C42 1.434(7) . ?
O43 C43 1.459(8) . ?
O44 C44 1.415(8) . ?
O45 C41 1.399(7) . ?
O45 C45 1.440(8) . ?
O46 C46 1.417(8) . ?
O101 N101 1.226(11) . ?
O102 N101 1.256(11) . ?
O103 N101 1.282(13) . ?
O104 N102 1.266(6) . ?
O105 N102 1.250(6) . ?
O106 N102 1.236(6) . ?
O107 N103 1.283(9) . ?
O108 N103 1.350(10) . ?
O109 N103 1.258(10) . ?
O110 N104 1.214(8) . ?
O111 N104 1.250(8) . ?
O112 N104 1.249(9) . ?
O113 N105 1.234(11) . ?
O114 N105 1.276(13) . ?
O115 N105 1.262(12) . ?
O116 N106 1.268(9) . ?
O117 N106 1.248(9) . ?
O118 N106 1.231(8) . ?
N11 C101 1.322(8) . ?
N11 C112 1.373(7) . ?
N12 C110 1.306(8) . ?
N12 C111 1.382(8) . ?
N21 C113 1.328(9) . ?
N21 C124 1.349(9) . ?
N22 C122 1.341(9) . ?
N22 C123 1.364(8) . ?
N31 C125 1.323(7) . ?
N31 C136 1.356(7) . ?
N32 C134 1.327(7) . ?
N32 C135 1.349(6) . ?
N41 C137 1.308(7) . ?
N41 C148 1.363(7) . ?
N42 C146 1.309(8) . ?
N42 C147 1.371(7) . ?
N51 C149 1.344(7) . ?
N51 C160 1.362(7) . ?
N52 C158 1.313(7) . ?
N52 C159 1.360(8) . ?
N61 C161 1.343(8) . ?
N61 C172 1.369(7) . ?
N62 C170 1.324(8) . ?
N62 C171 1.354(8) . ?
N71 C173 1.328(7) . ?
N71 C184 1.353(7) . ?
N72 C182 1.328(7) . ?
N72 C183 1.362(7) . ?
N81 C185 1.332(7) . ?
N81 C196 1.352(7) . ?
N82 C194 1.311(7) . ?
N82 C195 1.376(7) . ?
C11 C12 1.528(8) . ?
C11 H1 0.951(5) . ?
C12 C13 1.527(8) . ?
C12 H2 0.953(5) . ?
C13 C14 1.498(9) . ?
C13 H3 0.950(5) . ?
C14 C15 1.559(9) . ?
C14 H4 0.958(6) . ?
C15 C16 1.507(9) . ?
C15 H5 0.963(6) . ?
C16 H6 0.969(7) . ?
C16 H7 0.952(8) . ?
C21 C22 1.533(7) . ?
C21 H10 0.953(5) . ?
C22 C23 1.501(8) . ?
C22 H11 0.958(5) . ?
C23 C24 1.518(8) . ?
C23 H12 0.973(6) . ?
C24 C25 1.533(8) . ?
C24 H13 0.974(6) . ?
C25 C26 1.510(8) . ?
C25 H14 0.957(6) . ?
C26 H8 0.951(6) . ?
C26 H9 0.965(6) . ?
C31 C32 1.527(7) . ?
C31 H24 0.965(5) . ?
C32 C33 1.502(7) . ?
C32 H25 0.954(5) . ?
C33 C34 1.525(7) . ?
C33 H26 0.957(5) . ?
C34 C35 1.524(7) . ?
C34 H27 0.955(5) . ?
C35 C36 1.492(8) . ?
C35 H28 0.960(5) . ?
C36 H22 0.959(6) . ?
C36 H23 0.960(6) . ?
C41 C42 1.517(9) . ?
C41 H15 0.956(6) . ?
C42 C43 1.486(9) . ?
C42 H16 0.967(6) . ?
C43 C44 1.512(9) . ?
C43 H17 0.967(6) . ?
C44 C45 1.520(9) . ?
C44 H18 0.965(6) . ?
C45 C46 1.501(9) . ?
C45 H19 0.951(6) . ?
C46 H20 0.942(8) . ?
C46 H21 0.979(7) . ?
C101 C102 1.411(8) . ?
C101 H29 0.942(6) . ?
C102 C103 1.375(10) . ?
C102 H30 0.955(7) . ?
C103 C104 1.377(10) . ?
C103 H31 0.952(6) . ?
C104 C112 1.398(8) . ?
C104 C105 1.429(9) . ?
C105 C106 1.356(12) . ?
C105 H32 0.947(7) . ?
C106 C107 1.428(11) . ?
C106 H33 0.957(7) . ?
C107 C108 1.427(10) . ?
C107 C111 1.413(8) . ?
C108 C109 1.331(11) . ?
C108 H34 0.971(6) . ?
C109 C110 1.408(10) . ?
C109 H35 0.943(7) . ?
C110 H36 0.967(7) . ?
C111 C112 1.404(9) . ?
C113 C114 1.397(11) . ?
C113 H53 0.996(9) . ?
C114 C115 1.321(14) . ?
C114 H54 0.990(10) . ?
C115 C116 1.454(14) . ?
C115 H55 0.972(8) . ?
C116 C117 1.410(13) . ?
C116 C124 1.413(10) . ?
C117 C118 1.359(14) . ?
C117 H56 0.950(8) . ?
C118 C119 1.459(12) . ?
C118 H57 0.976(8) . ?
C119 C120 1.392(13) . ?
C119 C123 1.408(10) . ?
C120 C121 1.410(12) . ?
C120 H58 0.975(7) . ?
C121 C122 1.422(9) . ?
C121 H59 0.985(8) . ?
C122 H60 0.968(7) . ?
C123 C124 1.430(11) . ?
C125 C126 1.396(8) . ?
C125 H37 0.964(6) . ?
C126 C127 1.388(9) . ?
C126 H38 0.966(6) . ?
C127 C128 1.408(8) . ?
C127 H39 0.964(6) . ?
C128 C136 1.397(7) . ?
C128 C129 1.418(8) . ?
C129 C130 1.330(9) . ?
C129 H40 0.961(6) . ?
C130 C131 1.470(8) . ?
C130 H41 0.967(6) . ?
C131 C135 1.390(7) . ?
C131 C132 1.412(8) . ?
C132 C133 1.367(8) . ?
C132 H42 0.963(5) . ?
C133 C134 1.400(7) . ?
C133 H43 0.960(6) . ?
C134 H44 0.956(5) . ?
C135 C136 1.438(7) . ?
C137 C138 1.432(8) . ?
C137 H52 0.959(6) . ?
C138 C139 1.373(9) . ?
C138 H51 0.968(6) . ?
C139 C140 1.406(9) . ?
C139 H50 0.960(6) . ?
C140 C148 1.403(8) . ?
C140 C141 1.439(9) . ?
C141 C142 1.363(10) . ?
C141 H49 0.961(6) . ?
C142 C143 1.435(9) . ?
C142 H48 0.955(6) . ?
C143 C147 1.391(8) . ?
C143 C144 1.401(10) . ?
C144 C145 1.369(10) . ?
C144 H47 0.973(6) . ?
C145 C146 1.410(9) . ?
C145 H46 0.968(7) . ?
C146 H45 0.960(6) . ?
C147 C148 1.423(8) . ?
C149 C150 1.392(8) . ?
C149 H84 0.944(6) . ?
C150 C151 1.362(10) . ?
C150 H83 0.980(6) . ?
C151 C152 1.413(9) . ?
C151 H82 0.962(6) . ?
C152 C160 1.400(8) . ?
C152 C153 1.441(9) . ?
C153 C154 1.334(10) . ?
C153 H81 0.961(7) . ?
C154 C155 1.430(9) . ?
C154 H80 0.970(6) . ?
C155 C159 1.397(8) . ?
C155 C156 1.402(9) . ?
C156 C157 1.367(10) . ?
C156 H79 0.968(6) . ?
C157 C158 1.390(8) . ?
C157 H78 0.968(6) . ?
C158 H77 0.964(6) . ?
C159 C160 1.433(8) . ?
C161 C162 1.382(9) . ?
C161 H68 0.961(6) . ?
C162 C163 1.383(10) . ?
C162 H67 0.945(7) . ?
C163 C164 1.410(10) . ?
C163 H66 0.981(7) . ?
C164 C172 1.392(8) . ?
C164 C165 1.460(9) . ?
C165 C166 1.341(10) . ?
C165 H65 0.967(7) . ?
C166 C167 1.416(10) . ?
C166 H64 0.953(6) . ?
C167 C171 1.398(8) . ?
C167 C168 1.412(10) . ?
C168 C169 1.355(10) . ?
C168 H63 0.953(6) . ?
C169 C170 1.431(8) . ?
C169 H62 0.960(7) . ?
C170 H61 0.970(7) . ?
C171 C172 1.440(8) . ?
C173 C174 1.412(8) . ?
C173 H92 0.969(6) . ?
C174 C175 1.359(10) . ?
C174 H91 0.971(6) . ?
C175 C176 1.421(10) . ?
C175 H90 0.946(6) . ?
C176 C184 1.402(8) . ?
C176 C177 1.439(9) . ?
C177 C178 1.340(10) . ?
C177 H89 0.956(6) . ?
C178 C179 1.439(9) . ?
C178 H88 0.967(6) . ?
C179 C183 1.401(8) . ?
C179 C180 1.408(9) . ?
C180 C181 1.361(9) . ?
C180 H87 0.971(6) . ?
C181 C182 1.384(8) . ?
C181 H86 0.974(6) . ?
C182 H85 0.956(6) . ?
C183 C184 1.418(8) . ?
C185 C186 1.390(8) . ?
C185 H76 0.960(5) . ?
C186 C187 1.369(9) . ?
C186 H75 0.956(6) . ?
C187 C188 1.395(9) . ?
C187 H74 0.955(6) . ?
C188 C196 1.395(8) . ?
C188 C189 1.433(8) . ?
C189 C190 1.350(9) . ?
C189 H73 0.958(6) . ?
C190 C191 1.450(8) . ?
C190 H72 0.954(5) . ?
C191 C195 1.382(8) . ?
C191 C192 1.386(8) . ?
C192 C193 1.373(8) . ?
C192 H71 0.970(6) . ?
C193 C194 1.391(8) . ?
C193 H70 0.957(6) . ?
C194 H69 0.954(5) . ?
C195 C196 1.435(8) . ?
