#------------------------------------------------------------------------------
#$Date: 2019-11-10 01:25:55 +0200 (Sun, 10 Nov 2019) $
#$Revision: 225531 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/53/4515378.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_4515378
loop_
_publ_author_name
'Barreda, Omar'
'Bannwart, Gianluca'
'Yap, Glenn P. A.'
'Bloch, Eric D.'
_publ_section_title
;
 Ligand-Based Phase Control in Porous Molecular Assemblies.
;
_journal_issue                   14
_journal_name_full               'ACS applied materials & interfaces'
_journal_page_first              11420
_journal_page_last               11424
_journal_paper_doi               10.1021/acsami.8b02015
_journal_volume                  10
_journal_year                    2018
_chemical_formula_sum            'C268 H248 Cu24 N10 O144'
_chemical_formula_weight         7437.71
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_cell_angle_alpha                106.650(5)
_cell_angle_beta                 97.080(5)
_cell_angle_gamma                113.638(5)
_cell_formula_units_Z            1
_cell_length_a                   23.5934(15)
_cell_length_b                   23.6713(17)
_cell_length_c                   23.9591(16)
_cell_measurement_reflns_used    9972
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      47.62
_cell_measurement_theta_min      2.49
_cell_volume                     11303.6(15)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.911
_diffrn_measured_fraction_theta_max 0.911
_diffrn_measurement_device_type  'Bruker AXS APEX diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1081
_diffrn_reflns_av_unetI/netI     0.1066
_diffrn_reflns_Laue_measured_fraction_full 0.911
_diffrn_reflns_Laue_measured_fraction_max 0.911
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            115706
_diffrn_reflns_point_group_measured_fraction_full 0.911
_diffrn_reflns_point_group_measured_fraction_max 0.911
_diffrn_reflns_theta_full        61.720
_diffrn_reflns_theta_max         61.720
_diffrn_reflns_theta_min         2.000
_exptl_absorpt_coefficient_mu    1.779
_exptl_absorpt_correction_T_max  0.7516
_exptl_absorpt_correction_T_min  0.5115
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'APEX3 (Bruker, 2015)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.093
_exptl_crystal_description       block
_exptl_crystal_F_000             3774
_exptl_crystal_size_max          0.306
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.199
_refine_diff_density_max         1.564
_refine_diff_density_min         -0.796
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2008
_refine_ls_number_reflns         32154
_refine_ls_number_restraints     3535
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.1507
_refine_ls_R_factor_gt           0.1097
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1611P)²+35.7206P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3157
_refine_ls_wR_factor_ref         0.3433
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18443
_reflns_number_total             32154
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            am8b02015_si_005.cif
_cod_data_source_block           eric023_sq
_cod_original_cell_volume        11303.6(14)
_cod_database_code               4515378
_shelx_shelxl_version_number     2017/1
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Cu1 Cu 0.87958(7) 0.67296(9) 0.56009(7) 0.0706(5) Uani 1 1 d . U
Cu2 Cu 1.00490(7) 0.73114(9) 0.58225(7) 0.0684(4) Uani 1 1 d . U
Cu3 Cu 0.72068(7) 0.55711(9) 0.81313(7) 0.0740(5) Uani 1 1 d . U
Cu4 Cu 0.79508(7) 0.57143(10) 0.91352(8) 0.0763(5) Uani 1 1 d . U
Cu5 Cu 0.50639(7) 0.19108(8) 0.55596(7) 0.0646(4) Uani 1 1 d . U
Cu6 Cu 0.50764(7) 0.08645(8) 0.57610(7) 0.0630(4) Uani 1 1 d . U
Cu7 Cu 0.33812(8) 0.38331(10) 0.74921(8) 0.0774(5) Uani 1 1 d . U
Cu8 Cu 0.28509(7) 0.34266(9) 0.82997(8) 0.0732(5) Uani 1 1 d . U
Cu9 Cu 0.32898(7) 0.69336(9) 0.68853(7) 0.0693(5) Uani 1 1 d . U
Cu10 Cu 0.27245(7) 0.75714(9) 0.74907(7) 0.0682(4) Uani 1 1 d . U
Cu11 Cu 0.71202(7) 0.86451(9) 0.75871(7) 0.0714(5) Uani 1 1 d . U
Cu12 Cu 0.78339(7) 0.98646(9) 0.83919(7) 0.0749(5) Uani 1 1 d . U
O1_1 O 0.8945(4) 0.6526(4) 0.6318(4) 0.079(2) Uani 1 1 d . U
O2_1 O 1.0031(3) 0.6998(4) 0.6499(3) 0.078(2) Uani 1 1 d . U
O3_1 O 0.7976(4) 0.5841(5) 0.7859(4) 0.084(2) Uani 1 1 d . U
O4_1 O 0.8615(4) 0.5993(5) 0.8726(4) 0.093(2) Uani 1 1 d . U
O5_1 O 1.0770(4) 0.6656(6) 0.8397(4) 0.113(3) Uani 1 1 d . U
C1_1 C 0.9509(5) 0.6718(7) 0.6622(5) 0.074(3) Uani 1 1 d . U
C2_1 C 0.9558(5) 0.6548(6) 0.7195(5) 0.076(3) Uani 1 1 d . U
C3_1 C 1.0161(5) 0.6654(7) 0.7507(5) 0.081(3) Uani 1 1 d . U
H3_1 H 1.052289 0.679945 0.735193 0.098 Uiso 1 1 calc R U
C4_1 C 1.0215(6) 0.6541(8) 0.8044(6) 0.092(3) Uani 1 1 d . U
C5_1 C 0.9671(6) 0.6346(8) 0.8269(6) 0.094(4) Uani 1 1 d . U
H5_1 H 0.970711 0.628955 0.864677 0.112 Uiso 1 1 calc R U
C6_1 C 0.9095(6) 0.6238(7) 0.7950(6) 0.082(3) Uani 1 1 d . U
C7_1 C 0.9036(6) 0.6314(7) 0.7402(5) 0.082(3) Uani 1 1 d . U
H7_1 H 0.862466 0.620206 0.716643 0.099 Uiso 1 1 calc R U
C8_1 C 0.8518(6) 0.6009(7) 0.8191(6) 0.082(3) Uani 1 1 d . U
C9_1 C 1.1209(7) 0.6553(10) 0.8084(8) 0.120(5) Uani 1 1 d . U
H9A_1 H 1.163684 0.676785 0.837795 0.144 Uiso 1 1 calc R U
H9B_1 H 1.124660 0.677738 0.778957 0.144 Uiso 1 1 calc R U
C10_1 C 1.1032(8) 0.5823(10) 0.7745(9) 0.135(6) Uani 1 1 d . U
H10A_1 H 1.136196 0.579815 0.754131 0.202 Uiso 1 1 calc R U
H10B_1 H 1.100648 0.559795 0.803308 0.202 Uiso 1 1 calc R U
H10C_1 H 1.061543 0.560750 0.744347 0.202 Uiso 1 1 calc R U
O1_2 O 0.8922(4) 0.7599(4) 0.6130(4) 0.080(2) Uani 1 1 d . U
O2_2 O 1.0002(3) 0.8092(4) 0.6335(3) 0.078(2) Uani 1 1 d . U
O3_2 O 0.7934(4) 0.8771(4) 0.7372(4) 0.079(2) Uani 1 1 d . U
O4_2 O 0.8540(4) 0.9796(5) 0.8050(4) 0.084(2) Uani 1 1 d . U
O5_2 O 1.0683(4) 1.0455(5) 0.7529(4) 0.097(3) Uani 1 1 d . U
C1_2 C 0.9468(5) 0.8098(7) 0.6401(5) 0.075(3) Uani 1 1 d . U
C2_2 C 0.9493(5) 0.8697(7) 0.6790(6) 0.075(3) Uani 1 1 d . U
C3_2 C 1.0056(6) 0.9306(7) 0.6980(6) 0.084(3) Uani 1 1 d . U
H3_2 H 1.041677 0.931458 0.683766 0.100 Uiso 1 1 calc R U
C4_2 C 1.0101(6) 0.9897(7) 0.7372(6) 0.079(3) Uani 1 1 d . U
C5_2 C 0.9570(6) 0.9871(7) 0.7551(6) 0.083(3) Uani 1 1 d . U
H5_2 H 0.958871 1.027168 0.780706 0.100 Uiso 1 1 calc R U
C6_2 C 0.9012(5) 0.9301(7) 0.7382(5) 0.077(3) Uani 1 1 d . U
C7_2 C 0.8969(5) 0.8705(7) 0.7000(6) 0.076(3) Uani 1 1 d . U
H7_2 H 0.858171 0.830387 0.688322 0.091 Uiso 1 1 calc R U
C8_2 C 0.8444(6) 0.9273(7) 0.7625(6) 0.076(3) Uani 1 1 d . U
C9_2 C 1.0727(6) 1.1062(8) 0.7863(7) 0.100(4) Uani 1 1 d . U
H9A_2 H 1.063285 1.106097 0.825443 0.120 Uiso 1 1 calc R U
H9B_2 H 1.041464 1.115477 0.763859 0.120 Uiso 1 1 calc R U
C10_2 C 1.1394(7) 1.1574(8) 0.7967(8) 0.118(5) Uani 1 1 d . U
H10A_2 H 1.145260 1.163441 0.758659 0.177 Uiso 1 1 calc R U
H10B_2 H 1.169925 1.143004 0.811350 0.177 Uiso 1 1 calc R U
H10C_2 H 1.147027 1.199476 0.826946 0.177 Uiso 1 1 calc R U
O1_3 O 0.8851(4) 0.7041(5) 0.4927(4) 0.085(2) Uani 1 1 d . U
O2_3 O 0.9912(4) 0.7571(5) 0.5125(4) 0.085(2) Uani 1 1 d . U
O3_3 O 0.7499(4) 0.6639(5) 0.3003(4) 0.089(2) Uani 1 1 d . U
O4_3 O 0.7963(4) 0.6978(5) 0.2303(4) 0.086(2) Uani 1 1 d . U
O5_3 O 1.0241(5) 0.8496(7) 0.3430(6) 0.148(4) Uani 1 1 d . U
C1_3 C 0.9355(6) 0.7354(7) 0.4820(6) 0.081(3) Uani 1 1 d . U
C2_3 C 0.9281(6) 0.7514(7) 0.4238(5) 0.082(3) Uani 1 1 d . U
C3_3 C 0.9818(7) 0.7965(8) 0.4126(6) 0.101(4) Uani 1 1 d . U
H3_3 H 1.022694 0.819099 0.441342 0.121 Uiso 1 1 calc R U
C4_3 C 0.9743(7) 0.8072(8) 0.3597(7) 0.105(4) Uani 1 1 d . U
C5_3 C 0.9170(7) 0.7745(8) 0.3166(6) 0.103(4) Uani 1 1 d . U
H5_3 H 0.913227 0.781238 0.279379 0.124 Uiso 1 1 calc R U
C6_3 C 0.8635(6) 0.7303(7) 0.3290(6) 0.087(3) Uani 1 1 d . U
C7_3 C 0.8697(6) 0.7198(7) 0.3831(5) 0.078(3) Uani 1 1 d . U
H7_3 H 0.833266 0.690651 0.391497 0.094 Uiso 1 1 calc R U
C8_3 C 0.7981(6) 0.6942(7) 0.2832(6) 0.082(3) Uani 1 1 d . U
C9_3 C 1.0846(9) 0.8868(12) 0.3860(10) 0.170(7) Uani 1 1 d . U
H9A_3 H 1.105346 0.858271 0.388443 0.255 Uiso 1 1 calc R U
H9B_3 H 1.080070 0.906790 0.426510 0.255 Uiso 1 1 calc R U
C10_3 C 1.1276(11) 0.9454(14) 0.3620(12) 0.224(12) Uani 1 1 d . U
H10A_3 H 1.170534 0.973146 0.390379 0.336 Uiso 1 1 calc R U
H10B_3 H 1.131376 0.924760 0.321850 0.336 Uiso 1 1 calc R U
H10C_3 H 1.106240 0.973011 0.359706 0.336 Uiso 1 1 calc R U
O1_4 O 0.7089(4) 0.4657(4) 0.7864(4) 0.085(2) Uani 1 1 d . U
O2_4 O 0.7726(4) 0.4784(5) 0.8713(4) 0.086(2) Uani 1 1 d . U
O3_4 O 0.5780(4) 0.2437(4) 0.6285(4) 0.081(2) Uani 1 1 d . U
O4_4 O 0.5780(4) 0.1566(5) 0.6475(4) 0.083(2) Uani 1 1 d . U
O5_4 O 0.7459(6) 0.2545(6) 0.8460(5) 0.133(4) Uani 1 1 d . U
C1_4 C 0.7336(5) 0.4440(7) 0.8186(5) 0.072(3) Uani 1 1 d . U
C2_4 C 0.7156(6) 0.3705(7) 0.7947(5) 0.078(3) Uani 1 1 d . U
C3_4 C 0.7406(7) 0.3453(7) 0.8278(6) 0.091(3) Uani 1 1 d . U
H3_4 H 0.772098 0.374306 0.865293 0.109 Uiso 1 1 calc R U
C4_4 C 0.7216(8) 0.2763(8) 0.8086(6) 0.098(4) Uani 1 1 d . U
C5_4 C 0.6722(7) 0.2349(7) 0.7521(5) 0.086(3) Uani 1 1 d . U
H5_4 H 0.655551 0.188063 0.738118 0.103 Uiso 1 1 calc R U
C6_4 C 0.6494(6) 0.2632(7) 0.7187(5) 0.079(3) Uani 1 1 d . U
C7_4 C 0.6680(5) 0.3299(6) 0.7386(5) 0.071(3) Uani 1 1 d . U
H7_4 H 0.649816 0.348279 0.715683 0.086 Uiso 1 1 calc R U
C8_4 C 0.5975(6) 0.2163(7) 0.6596(5) 0.076(3) Uani 1 1 d . U
C9_4 C 0.7177(12) 0.1813(10) 0.8298(9) 0.157(6) Uani 1 1 d . U
H9A_4 H 0.670375 0.161866 0.815102 0.188 Uiso 1 1 calc R U
H9B_4 H 0.733114 0.162716 0.795920 0.188 Uiso 1 1 calc R U
C10_4 C 0.7322(16) 0.1619(13) 0.8765(12) 0.233(12) Uani 1 1 d . U
H10A_4 H 0.711920 0.113385 0.862107 0.350 Uiso 1 1 calc R U
H10B_4 H 0.778895 0.179785 0.890668 0.350 Uiso 1 1 calc R U
H10C_4 H 0.716042 0.178934 0.909884 0.350 Uiso 1 1 calc R U
O1_5 O 0.6529(4) 0.5317(4) 0.8543(4) 0.085(2) Uani 1 1 d . U
O2_5 O 0.7137(4) 0.5414(5) 0.9381(4) 0.088(2) Uani 1 1 d . U
O3_5 O 0.4185(4) 0.4238(5) 0.8117(4) 0.089(2) Uani 1 1 d . U
O4_5 O 0.3744(4) 0.3861(5) 0.8796(4) 0.086(2) Uani 1 1 d . U
O5_5 O 0.5641(5) 0.4425(5) 1.0490(5) 0.111(3) Uani 1 1 d . U
C1_5 C 0.6612(5) 0.5242(7) 0.9034(6) 0.076(3) Uani 1 1 d . U
C2_5 C 0.6028(5) 0.4949(7) 0.9258(6) 0.079(3) Uani 1 1 d . U
C3_5 C 0.6080(6) 0.4850(7) 0.9798(6) 0.085(3) Uani 1 1 d . U
H3_5 H 0.649169 0.501970 1.006541 0.102 Uiso 1 1 calc R U
C4_5 C 0.5538(6) 0.4507(7) 0.9947(6) 0.086(3) Uani 1 1 d . U
C5_5 C 0.4942(6) 0.4287(6) 0.9583(6) 0.082(3) Uani 1 1 d . U
H5_5 H 0.457058 0.405457 0.969666 0.099 Uiso 1 1 calc R U
C6_5 C 0.4876(5) 0.4405(7) 0.9029(6) 0.079(3) Uani 1 1 d . U
C7_5 C 0.5420(5) 0.4716(7) 0.8863(6) 0.083(3) Uani 1 1 d . U
H7_5 H 0.538803 0.477391 0.848578 0.099 Uiso 1 1 calc R U
C8_5 C 0.4219(5) 0.4154(6) 0.8623(6) 0.080(3) Uani 1 1 d . U
C9_5 C 0.5114(7) 0.4008(9) 1.0630(8) 0.117(5) Uani 1 1 d . U
H9A_5 H 0.491828 0.355323 1.032130 0.140 Uiso 1 1 calc R U
H9B_5 H 0.478572 0.416871 1.063080 0.140 Uiso 1 1 calc R U
C10_5 C 0.5334(9) 0.3998(11) 1.1258(9) 0.160(8) Uani 1 1 d . U
H10A_5 H 0.560109 0.376884 1.123690 0.240 Uiso 1 1 calc R U
H10B_5 H 0.495680 0.376458 1.138564 0.240 Uiso 1 1 calc R U
H10C_5 H 0.558424 0.445444 1.155108 0.240 Uiso 1 1 calc R U
O1_6 O 0.7452(4) 0.6530(4) 0.8568(4) 0.082(2) Uani 1 1 d . U
O2_6 O 0.8057(4) 0.6636(5) 0.9427(4) 0.089(2) Uani 1 1 d . U
O3_6 O 0.7398(4) 0.8400(4) 0.8252(4) 0.081(2) Uani 1 1 d . U
O4_6 O 0.7992(4) 0.9434(5) 0.8947(4) 0.093(2) Uani 1 1 d . U
O5_6 O 0.8755(8) 0.8977(7) 1.0776(6) 0.189(6) Uani 1 1 d . U
C1_6 C 0.7802(6) 0.6863(7) 0.9085(6) 0.084(3) Uani 1 1 d . U
C2_6 C 0.7997(5) 0.7577(4) 0.9341(4) 0.100(4) Uani 1 1 d G U
C3_6 C 0.8333(5) 0.7969(5) 0.9943(4) 0.131(5) Uani 1 1 d G U
H3_6 H 0.845932 0.777931 1.020405 0.158 Uiso 1 1 calc R U
C4_6 C 0.8486(6) 0.8638(5) 1.0163(3) 0.168(6) Uani 1 1 d G U
C5_6 C 0.8302(6) 0.8915(4) 0.9781(4) 0.143(6) Uani 1 1 d G U
H5_6 H 0.840555 0.937203 0.993200 0.172 Uiso 1 1 calc R U
C6_6 C 0.7965(5) 0.8524(5) 0.9179(4) 0.103(4) Uani 1 1 d G U
C7_6 C 0.7813(4) 0.7855(4) 0.8959(3) 0.082(3) Uani 1 1 d G U
H7_6 H 0.758305 0.758733 0.854731 0.098 Uiso 1 1 calc R U
C8_6 C 0.7750(7) 0.8786(8) 0.8750(6) 0.087(3) Uani 1 1 d . U
C9_6 C 0.8706(13) 0.9696(12) 1.1133(10) 0.185(8) Uani 1 1 d . U
H9A_6 H 0.897901 0.992156 1.155566 0.222 Uiso 1 1 calc R U
H9B_6 H 0.884337 1.000485 1.091560 0.222 Uiso 1 1 calc R U
C10_6 C 0.7977(14) 0.9453(13) 1.1112(13) 0.209(10) Uani 1 1 d . U
H10A_6 H 0.773509 0.937939 1.071258 0.314 Uiso 1 1 calc R U
H10B_6 H 0.793010 0.979071 1.142395 0.314 Uiso 1 1 calc R U
H10C_6 H 0.781054 0.903710 1.118503 0.314 Uiso 1 1 calc R U
O1_7 O 0.4473(3) 0.1854(4) 0.6091(4) 0.077(2) Uani 1 1 d . U
O2_7 O 0.4476(4) 0.0965(4) 0.6244(4) 0.078(2) Uani 1 1 d . U
O3_7 O 0.3438(4) 0.2995(4) 0.7255(4) 0.082(2) Uani 1 1 d . U
O4_7 O 0.2966(4) 0.2643(4) 0.7923(4) 0.080(2) Uani 1 1 d . U
O5_7 O 0.3233(4) 0.0633(5) 0.7778(4) 0.088(2) Uani 1 1 d . U
C1_7 C 0.4331(5) 0.1410(7) 0.6339(5) 0.073(3) Uani 1 1 d . U
C2_7 C 0.3938(5) 0.1488(7) 0.6775(5) 0.077(3) Uani 1 1 d . U
C3_7 C 0.3757(5) 0.1002(7) 0.7047(5) 0.076(3) Uani 1 1 d . U
H3_7 H 0.386494 0.064663 0.693692 0.091 Uiso 1 1 calc R U
C4_7 C 0.3418(6) 0.1065(7) 0.7480(6) 0.081(3) Uani 1 1 d . U
C5_7 C 0.3241(6) 0.1558(7) 0.7611(6) 0.080(3) Uani 1 1 d . U
H5_7 H 0.299854 0.158865 0.789629 0.096 Uiso 1 1 calc R U
C6_7 C 0.3414(5) 0.2021(7) 0.7328(5) 0.076(3) Uani 1 1 d . U
C7_7 C 0.3756(5) 0.1969(6) 0.6915(5) 0.076(3) Uani 1 1 d . U
H7_7 H 0.386958 0.228164 0.672095 0.091 Uiso 1 1 calc R U
C8_7 C 0.3251(5) 0.2596(7) 0.7505(5) 0.076(3) Uani 1 1 d . U
C9_7 C 0.3461(7) 0.0155(7) 0.7687(7) 0.095(4) Uani 1 1 d . U
H9A_7 H 0.393639 0.037624 0.782049 0.114 Uiso 1 1 calc R U
H9B_7 H 0.331988 -0.012860 0.725262 0.114 Uiso 1 1 calc R U
C10_7 C 0.3187(7) -0.0264(8) 0.8056(7) 0.105(4) Uani 1 1 d . U
H10A_7 H 0.271674 -0.045639 0.793952 0.158 Uiso 1 1 calc R U
H10B_7 H 0.335421 0.001591 0.848794 0.158 Uiso 1 1 calc R U
H10C_7 H 0.331239 -0.062051 0.797994 0.158 Uiso 1 1 calc R U
O1_8 O 0.3245(4) 0.4599(5) 0.7841(4) 0.088(2) Uani 1 1 d . U
O2_8 O 0.2807(4) 0.4268(4) 0.8550(4) 0.084(2) Uani 1 1 d . U
O3_8 O 0.3162(4) 0.6458(4) 0.7434(4) 0.082(2) Uani 1 1 d . U
O4_8 O 0.2735(3) 0.7056(4) 0.8002(4) 0.076(2) Uani 1 1 d . U
O5_8 O 0.2355(6) 0.6149(7) 0.9624(5) 0.131(3) Uani 1 1 d . U
C1_8 C 0.2971(6) 0.4658(7) 0.8249(6) 0.083(3) Uani 1 1 d . U
C2_8 C 0.2873(6) 0.5257(7) 0.8441(6) 0.083(3) Uani 1 1 d . U
C3_8 C 0.2660(7) 0.5400(8) 0.8980(6) 0.097(3) Uani 1 1 d . U
H3_8 H 0.257605 0.511953 0.920692 0.116 Uiso 1 1 calc R U
C4_8 C 0.2585(8) 0.5968(9) 0.9146(6) 0.106(4) Uani 1 1 d . U
C5_8 C 0.2638(6) 0.6355(7) 0.8777(6) 0.086(3) Uani 1 1 d . U
H5_8 H 0.253394 0.671273 0.888774 0.103 Uiso 1 1 calc R U
C6_8 C 0.2837(6) 0.6215(7) 0.8270(6) 0.084(3) Uani 1 1 d . U
C7_8 C 0.2957(5) 0.5650(7) 0.8095(6) 0.079(3) Uani 1 1 d . U
H7_8 H 0.309377 0.554372 0.774010 0.094 Uiso 1 1 calc R U
C8_8 C 0.2923(6) 0.6636(7) 0.7894(6) 0.081(3) Uani 1 1 d . U
C9_8 C 0.2488(11) 0.5925(11) 1.0113(8) 0.145(5) Uani 1 1 d . U
H9A_8 H 0.237695 0.544846 0.994083 0.174 Uiso 1 1 calc R U
H9B_8 H 0.222067 0.597889 1.039179 0.174 Uiso 1 1 calc R U
C10_8 C 0.3239(10) 0.6352(12) 1.0480(8) 0.157(7) Uani 1 1 d . U
H10A_8 H 0.349190 0.618563 1.025053 0.235 Uiso 1 1 calc R U
H10B_8 H 0.329931 0.631101 1.087595 0.235 Uiso 1 1 calc R U
H10C_8 H 0.338095 0.681970 1.053672 0.235 Uiso 1 1 calc R U
O1_9 O 0.4078(4) 0.7680(5) 0.7486(4) 0.085(2) Uani 1 1 d . U
O2_9 O 0.3606(4) 0.8248(4) 0.7978(4) 0.085(2) Uani 1 1 d . U
O3_9 O 0.6406(4) 0.8690(5) 0.7896(4) 0.082(2) Uani 1 1 d . U
O4_9 O 0.7010(4) 0.9754(5) 0.8596(4) 0.089(2) Uani 1 1 d . U
O5_9 O 0.5490(4) 1.0402(6) 0.9439(5) 0.108(3) Uani 1 1 d . U
C1_9 C 0.4073(5) 0.8161(7) 0.7867(6) 0.079(3) Uani 1 1 d . U
C2_9 C 0.4735(5) 0.8734(7) 0.8241(5) 0.082(3) Uani 1 1 d . U
C3_9 C 0.4779(5) 0.9273(7) 0.8680(5) 0.081(3) Uani 1 1 d . U
H3_9 H 0.439892 0.928210 0.876281 0.097 Uiso 1 1 calc R U
C4_9 C 0.5369(6) 0.9809(8) 0.9006(6) 0.092(3) Uani 1 1 d . U
C5_9 C 0.5926(6) 0.9759(8) 0.8874(6) 0.094(3) Uani 1 1 d . U
H5_9 H 0.633992 1.011475 0.909868 0.112 Uiso 1 1 calc R U
C6_9 C 0.5880(5) 0.9226(7) 0.8442(5) 0.076(3) Uani 1 1 d . U
C7_9 C 0.5297(5) 0.8706(7) 0.8111(5) 0.074(3) Uani 1 1 d . U
H7_9 H 0.526651 0.833210 0.779895 0.089 Uiso 1 1 calc R U
C8_9 C 0.6480(5) 0.9230(8) 0.8288(6) 0.080(3) Uani 1 1 d . U
C9_9 C 0.4916(8) 1.0533(10) 0.9478(9) 0.130(5) Uani 1 1 d . U
H9A_9 H 0.466880 1.045514 0.907449 0.156 Uiso 1 1 calc R U
H9B_9 H 0.462678 1.025618 0.966472 0.156 Uiso 1 1 calc R U
C10_9 C 0.5219(11) 1.1209(12) 0.9851(12) 0.176(8) Uani 1 1 d . U
H10A_9 H 0.489341 1.136019 0.991438 0.264 Uiso 1 1 calc R U
H10B_9 H 0.546678 1.126973 1.024269 0.264 Uiso 1 1 calc R U
H10C_9 H 0.550840 1.146681 0.965804 0.264 Uiso 1 1 calc R U
O1_10 O 0.3346(4) 0.7513(4) 0.6431(4) 0.079(2) Uani 1 1 d . U
O2_10 O 0.2817(3) 0.7991(4) 0.6894(3) 0.0760(19) Uani 1 1 d . U
O3_10 O 0.4345(3) 0.8183(4) 0.4922(4) 0.074(2) Uani 1 1 d . U
O4_10 O 0.4305(3) 0.9034(4) 0.4723(3) 0.073(2) Uani 1 1 d . U
O5_10 O 0.2800(4) 0.9551(5) 0.5882(4) 0.090(2) Uani 1 1 d . U
C1_10 C 0.3124(5) 0.7915(6) 0.6513(5) 0.068(3) Uani 1 1 d . U
C2_10 C 0.3215(5) 0.8313(6) 0.6111(5) 0.063(2) Uani 1 1 d . U
C3_10 C 0.2966(5) 0.8756(6) 0.6165(5) 0.070(3) Uani 1 1 d . U
H3_10 H 0.271113 0.879021 0.643829 0.085 Uiso 1 1 calc R U
C4_10 C 0.3088(5) 0.9155(6) 0.5821(5) 0.070(3) Uani 1 1 d . U
C5_10 C 0.3472(5) 0.9111(6) 0.5439(5) 0.068(3) Uani 1 1 d . U
H5_10 H 0.356166 0.938377 0.520444 0.082 Uiso 1 1 calc R U
C6_10 C 0.3723(5) 0.8679(6) 0.5396(5) 0.066(2) Uani 1 1 d D U
C7_10 C 0.3601(5) 0.8253(6) 0.5725(5) 0.065(2) Uani 1 1 d . U
H7_10 H 0.377113 0.794578 0.568609 0.078 Uiso 1 1 calc R U
C8_10 C 0.4164(5) 0.8626(6) 0.4978(5) 0.066(3) Uani 1 1 d D U
C9_10 C 0.2831(6) 0.9941(8) 0.5505(7) 0.095(4) Uani 1 1 d . U
H9A_10 H 0.327640 1.030236 0.562963 0.114 Uiso 1 1 calc R U
H9B_10 H 0.275102 0.965198 0.508236 0.114 Uiso 1 1 calc R U
C10_10 C 0.2422(10) 1.0220(12) 0.5507(12) 0.167(8) Uani 1 1 d . U
O1_11 O 0.6968(4) 0.9074(5) 0.7058(4) 0.084(2) Uani 1 1 d . U
O2_11 O 0.7575(4) 1.0125(5) 0.7742(4) 0.084(2) Uani 1 1 d . U
O3_11 O 0.5641(4) 0.8754(4) 0.5151(4) 0.078(2) Uani 1 1 d . U
O4_11 O 0.5649(3) 0.9628(4) 0.4971(3) 0.0707(19) Uani 1 1 d . U
O5_11 O 0.7468(4) 1.1600(5) 0.6682(4) 0.090(2) Uani 1 1 d . U
C1_11 C 0.7200(5) 0.9720(7) 0.7237(6) 0.074(3) Uani 1 1 d . U
C2_11 C 0.7017(5) 1.0000(7) 0.6784(5) 0.074(3) Uani 1 1 d . U
C3_11 C 0.7322(5) 1.0662(6) 0.6914(6) 0.074(3) Uani 1 1 d . U
H3_11 H 0.766577 1.094221 0.727070 0.089 Uiso 1 1 calc R U
C4_11 C 0.7130(6) 1.0940(7) 0.6519(6) 0.078(3) Uani 1 1 d . U
C5_11 C 0.6646(5) 1.0509(6) 0.5997(5) 0.071(3) Uani 1 1 d . U
H5_11 H 0.649459 1.067881 0.573050 0.085 Uiso 1 1 calc R U
C6_11 C 0.6381(5) 0.9839(7) 0.5859(5) 0.071(3) Uani 1 1 d . U
C7_11 C 0.6567(5) 0.9588(6) 0.6243(5) 0.069(3) Uani 1 1 d . U
H7_11 H 0.638341 0.912090 0.613668 0.083 Uiso 1 1 calc R U
C8_11 C 0.5843(5) 0.9362(7) 0.5280(5) 0.071(3) Uani 1 1 d . U
C9_11 C 0.7372(6) 1.1892(7) 0.6264(6) 0.084(3) Uani 1 1 d . U
H9A_11 H 0.692598 1.183297 0.618330 0.101 Uiso 1 1 calc R U
H9B_11 H 0.744181 1.167738 0.587746 0.101 Uiso 1 1 calc R U
C10_11 C 0.7835(8) 1.2610(8) 0.6528(7) 0.118(5) Uani 1 1 d . U
H10A_11 H 0.827309 1.266514 0.655389 0.177 Uiso 1 1 calc R U
H10B_11 H 0.780078 1.280661 0.693468 0.177 Uiso 1 1 calc R U
H10C_11 H 0.773717 1.283274 0.627084 0.177 Uiso 1 1 calc R U
O1_12 O 0.2425(4) 0.6289(4) 0.6379(4) 0.082(2) Uani 1 1 d . U
O2_12 O 0.1942(3) 0.6818(4) 0.6918(4) 0.0729(18) Uani 1 1 d . U
O3_12 O 0.1133(4) 0.4062(4) 0.4891(4) 0.085(2) Uani 1 1 d . U
O4_12 O 0.0063(4) 0.3549(4) 0.4737(4) 0.084(2) Uani 1 1 d . U
O5_12 O -0.0390(4) 0.5349(5) 0.6004(4) 0.096(3) Uani 1 1 d . U
C1_12 C 0.1914(5) 0.6348(7) 0.6496(5) 0.068(2) Uani 1 1 d . U
C2_12 C 0.1288(5) 0.5771(6) 0.6118(5) 0.068(2) Uani 1 1 d . U
C3_12 C 0.0720(5) 0.5804(7) 0.6199(6) 0.077(3) Uani 1 1 d . U
H3_12 H 0.074478 0.620315 0.646507 0.093 Uiso 1 1 calc R U
C4_12 C 0.0136(6) 0.5272(7) 0.5900(6) 0.080(3) Uani 1 1 d . U
C5_12 C 0.0096(5) 0.4698(7) 0.5508(5) 0.076(3) Uani 1 1 d . U
H5_12 H -0.031035 0.432054 0.530524 0.091 Uiso 1 1 calc R U
C6_12 C 0.0653(5) 0.4674(7) 0.5413(5) 0.076(3) Uani 1 1 d . U
C7_12 C 0.1255(5) 0.5222(6) 0.5720(5) 0.074(3) Uani 1 1 d . U
H7_12 H 0.163522 0.520533 0.564736 0.089 Uiso 1 1 calc R U
C8_12 C 0.0621(6) 0.4033(6) 0.4977(5) 0.074(3) Uani 1 1 d . U
C9_12 C -0.0996(6) 0.4780(8) 0.5824(8) 0.109(5) Uani 1 1 d . U
H9A_12 H -0.094291 0.445076 0.597388 0.164 Uiso 1 1 calc R U
H9B_12 H -0.113858 0.457923 0.537670 0.164 Uiso 1 1 calc R U
C10_12 C -0.1486(10) 0.4907(11) 0.6036(12) 0.213(12) Uani 1 1 d . U
H10A_12 H -0.188709 0.449133 0.589320 0.319 Uiso 1 1 calc R U
H10B_12 H -0.135711 0.509432 0.647954 0.319 Uiso 1 1 calc R U
H10C_12 H -0.155314 0.522303 0.588129 0.319 Uiso 1 1 calc R U
O1_13 O 1.1095(4) 0.7783(5) 0.6025(4) 0.094(3) Uani 1 1 d . U
N1_13 N 1.1509(5) 0.7400(7) 0.5266(6) 0.109(4) Uani 1 1 d . U
C1_13 C 1.1389(6) 0.7437(8) 0.5784(7) 0.101(4) Uani 1 1 d . U
H1_13 H 1.151506 0.720831 0.600050 0.121 Uiso 1 1 calc R U
C3_13 C 1.1850(7) 0.7023(10) 0.5067(9) 0.139(6) Uani 1 1 d . U
H3A_13 H 1.158835 0.665864 0.467904 0.209 Uiso 1 1 calc R U
H3B_13 H 1.193512 0.684205 0.536900 0.209 Uiso 1 1 calc R U
H3C_13 H 1.225863 0.731434 0.501656 0.209 Uiso 1 1 calc R U
C2_13 C 1.1349(10) 0.7757(11) 0.4912(9) 0.155(7) Uani 1 1 d . U
H2A_13 H 1.147835 0.766310 0.453649 0.232 Uiso 1 1 calc R U
H2B_13 H 1.088502 0.760982 0.481579 0.232 Uiso 1 1 calc R U
H2C_13 H 1.157817 0.823458 0.514906 0.232 Uiso 1 1 calc R U
O1_14 O 0.8530(5) 0.5822(6) 0.9934(4) 0.113(3) Uani 1 1 d . U
C3_14 C 0.8827(13) 0.6607(14) 1.1527(10) 0.204(10) Uani 1 1 d . U
H3A_14 H 0.903154 0.655057 1.187430 0.306 Uiso 1 1 calc R U
H3B_14 H 0.907701 0.705983 1.154288 0.306 Uiso 1 1 calc R U
H3C_14 H 0.838961 0.653030 1.153905 0.306 Uiso 1 1 calc R U
N1_14 N 0.8803(9) 0.6121(12) 1.0953(7) 0.191(7) Uani 1 1 d . U
C1_14 C 0.8535(9) 0.6113(13) 1.0407(9) 0.157(6) Uani 1 1 d . U
H1_14 H 0.832548 0.638398 1.042514 0.188 Uiso 1 1 calc R U
O1_15 O 0.5099(4) 0.0109(4) 0.6096(3) 0.078(2) Uani 1 1 d . U
N1_15 N 0.5156(6) -0.0134(6) 0.6937(5) 0.094(3) Uani 1 1 d . U
C1_15 C 0.5119(6) 0.0241(7) 0.6638(6) 0.088(3) Uani 1 1 d . U
H1_15 H 0.510814 0.064067 0.685159 0.105 Uiso 1 1 calc R U
C2_15 C 0.5144(6) -0.0779(7) 0.6662(6) 0.087(3) Uani 1 1 d . U
H2A_15 H 0.515635 -0.085572 0.624057 0.130 Uiso 1 1 calc R U
H2B_15 H 0.474935 -0.113105 0.667463 0.130 Uiso 1 1 calc R U
H2C_15 H 0.551807 -0.078244 0.688736 0.130 Uiso 1 1 calc R U
C3_15 C 0.5169(11) 0.0065(10) 0.7595(7) 0.153(7) Uani 1 1 d . U
H3A_15 H 0.514694 0.048534 0.773060 0.229 Uiso 1 1 calc R U
H3B_15 H 0.556831 0.011803 0.783371 0.229 Uiso 1 1 calc R U
H3C_15 H 0.480037 -0.028001 0.765016 0.229 Uiso 1 1 calc R U
O1_16 O 0.2495(4) 0.3145(4) 0.9019(4) 0.082(2) Uani 1 1 d . U
N1_16 N 0.3097(5) 0.2915(7) 0.9669(6) 0.101(3) Uani 1 1 d . U
C1_16 C 0.2799(7) 0.3246(8) 0.9511(7) 0.099(4) Uani 1 1 d . U
H1_16 H 0.283206 0.361318 0.983273 0.119 Uiso 1 1 calc R U
C2_16 C 0.3142(10) 0.2410(10) 0.9247(9) 0.151(7) Uani 1 1 d . U
H2A_16 H 0.295838 0.228595 0.882828 0.181 Uiso 1 1 calc R U
H2B_16 H 0.335666 0.218565 0.937477 0.181 Uiso 1 1 calc R U
C3_16 C 0.3419(9) 0.3121(10) 1.0298(8) 0.136(6) Uani 1 1 d . U
H3A_16 H 0.321809 0.275857 1.044106 0.204 Uiso 1 1 calc R U
H3B_16 H 0.338476 0.351126 1.053834 0.204 Uiso 1 1 calc R U
H3C_16 H 0.387349 0.323137 1.034027 0.204 Uiso 1 1 calc R U
O1_17 O 0.2218(4) 0.8033(5) 0.7940(4) 0.087(2) Uani 1 1 d . U
N1_17 N 0.1410(5) 0.8331(6) 0.7946(5) 0.096(3) Uani 1 1 d . U
C1_17 C 0.1803(6) 0.8145(8) 0.7686(6) 0.095(3) Uani 1 1 d . U
H1_17 H 0.176546 0.809214 0.727303 0.114 Uiso 1 1 calc R U
C2_17 C 0.1411(8) 0.8341(10) 0.8554(7) 0.141(7) Uani 1 1 d . U
H2A_17 H 0.114205 0.789205 0.853553 0.212 Uiso 1 1 calc R U
H2B_17 H 0.123966 0.863816 0.874849 0.212 Uiso 1 1 calc R U
H2C_17 H 0.185169 0.850062 0.878939 0.212 Uiso 1 1 calc R U
C3_17 C 0.0936(7) 0.8456(9) 0.7607(8) 0.126(5) Uani 1 1 d . U
H3A_17 H 0.053260 0.804372 0.741381 0.189 Uiso 1 1 calc R U
H3B_17 H 0.110272 0.861305 0.729652 0.189 Uiso 1 1 calc R U
H3C_17 H 0.085835 0.879344 0.788585 0.189 Uiso 1 1 calc R U
O1_18 O 0.8402(5) 1.0866(5) 0.9058(4) 0.108(3) Uani 1 1 d . .
O1_19 O 0.7761(4) 0.6221(6) 0.5349(6) 0.129(4) Uani 1 1 d . .
O1_20 O 0.6571(8) 0.5406(9) 0.7300(5) 0.193(7) Uani 1 1 d . .
O1_21 O 0.5027(6) 0.2787(7) 0.5449(11) 0.235(10) Uani 1 1 d . .
O1_22 O 0.3778(7) 0.4153(6) 0.6809(5) 0.149(5) Uani 1 1 d . .
O1_23 O 0.3807(8) 0.6488(10) 0.6371(5) 0.204(8) Uani 1 1 d . .
O1_24 O 0.6655(6) 0.7615(5) 0.6986(5) 0.138(4) Uani 1 1 d . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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
O1_1 Cu1 O1_3 167.4(3) . .
O1_1 Cu1 O1_2 88.5(4) . .
O1_3 Cu1 O1_2 89.5(4) . .
O1_1 Cu1 O3_12 89.9(4) . 2_666
O1_3 Cu1 O3_12 89.6(4) . 2_666
O1_2 Cu1 O3_12 168.1(3) . 2_666
O1_1 Cu1 O1_19 97.7(4) . .
O1_3 Cu1 O1_19 94.8(4) . .
O1_2 Cu1 O1_19 98.3(4) . .
O3_12 Cu1 O1_19 93.6(4) 2_666 .
O1_1 Cu1 Cu2 85.4(2) . .
O1_3 Cu1 Cu2 82.1(2) . .
O1_2 Cu1 Cu2 84.6(2) . .
O3_12 Cu1 Cu2 83.5(2) 2_666 .
O1_19 Cu1 Cu2 175.8(4) . .
O2_2 Cu2 O2_1 89.2(3) . .
O2_2 Cu2 O2_3 88.8(4) . .
O2_1 Cu2 O2_3 170.5(3) . .
O2_2 Cu2 O4_12 170.3(3) . 2_666
O2_1 Cu2 O4_12 90.8(4) . 2_666
O2_3 Cu2 O4_12 89.6(4) . 2_666
O2_2 Cu2 O1_13 95.5(4) . .
O2_1 Cu2 O1_13 94.0(3) . .
O2_3 Cu2 O1_13 95.4(3) . .
O4_12 Cu2 O1_13 94.1(4) 2_666 .
O2_2 Cu2 Cu1 84.8(2) . .
O2_1 Cu2 Cu1 84.5(2) . .
O2_3 Cu2 Cu1 86.1(2) . .
O4_12 Cu2 Cu1 85.6(2) 2_666 .
O1_13 Cu2 Cu1 178.4(3) . .
O3_1 Cu3 O1_5 169.5(3) . .
O3_1 Cu3 O1_4 89.8(4) . .
O1_5 Cu3 O1_4 89.0(4) . .
O3_1 Cu3 O1_6 89.1(4) . .
O1_5 Cu3 O1_6 89.9(4) . .
O1_4 Cu3 O1_6 167.6(3) . .
O3_1 Cu3 O1_20 95.3(5) . .
O1_5 Cu3 O1_20 95.2(5) . .
O1_4 Cu3 O1_20 94.1(5) . .
O1_6 Cu3 O1_20 98.4(5) . .
O3_1 Cu3 Cu4 85.9(2) . .
O1_5 Cu3 Cu4 83.6(2) . .
O1_4 Cu3 Cu4 83.7(2) . .
O1_6 Cu3 Cu4 83.9(2) . .
O1_20 Cu3 Cu4 177.4(5) . .
O4_1 Cu4 O2_4 90.9(4) . .
O4_1 Cu4 O2_6 88.8(4) . .
O2_4 Cu4 O2_6 168.9(3) . .
O4_1 Cu4 O2_5 166.3(4) . .
O2_4 Cu4 O2_5 88.5(4) . .
O2_6 Cu4 O2_5 89.2(4) . .
O4_1 Cu4 O1_14 98.2(4) . .
O2_4 Cu4 O1_14 95.4(4) . .
O2_6 Cu4 O1_14 95.6(4) . .
O2_5 Cu4 O1_14 95.4(4) . .
O4_1 Cu4 Cu3 82.5(3) . .
O2_4 Cu4 Cu3 84.5(2) . .
O2_6 Cu4 Cu3 84.5(2) . .
O2_5 Cu4 Cu3 83.9(2) . .
O1_14 Cu4 Cu3 179.3(3) . .
O3_4 Cu5 O3_11 169.7(4) . 2_666
O3_4 Cu5 O3_10 90.1(3) . 2_666
O3_11 Cu5 O3_10 87.7(3) 2_666 2_666
O3_4 Cu5 O1_7 88.2(3) . .
O3_11 Cu5 O1_7 91.9(3) 2_666 .
O3_10 Cu5 O1_7 168.2(3) 2_666 .
O3_4 Cu5 O1_21 93.4(6) . .
O3_11 Cu5 O1_21 96.9(6) 2_666 .
O3_10 Cu5 O1_21 99.9(5) 2_666 .
O1_7 Cu5 O1_21 91.8(5) . .
O3_4 Cu5 Cu6 85.3(3) . .
O3_11 Cu5 Cu6 84.4(2) 2_666 .
O3_10 Cu5 Cu6 83.9(2) 2_666 .
O1_7 Cu5 Cu6 84.3(2) . .
O1_21 Cu5 Cu6 176.0(6) . .
O4_10 Cu6 O4_11 91.4(3) 2_666 2_666
O4_10 Cu6 O4_4 89.0(3) 2_666 .
O4_11 Cu6 O4_4 164.5(4) 2_666 .
O4_10 Cu6 O2_7 166.4(4) 2_666 .
O4_11 Cu6 O2_7 89.1(3) 2_666 .
O4_4 Cu6 O2_7 87.0(3) . .
O4_10 Cu6 O1_15 104.0(3) 2_666 .
O4_11 Cu6 O1_15 104.4(3) 2_666 .
O4_4 Cu6 O1_15 90.5(3) . .
O2_7 Cu6 O1_15 89.0(3) . .
O4_10 Cu6 Cu5 83.3(2) 2_666 .
O4_11 Cu6 Cu5 82.7(2) 2_666 .
O4_4 Cu6 Cu5 82.0(3) . .
O2_7 Cu6 Cu5 83.3(3) . .
O1_15 Cu6 Cu5 169.4(2) . .
O3_3 Cu7 O1_8 89.0(4) 2_666 .
O3_3 Cu7 O3_5 167.6(3) 2_666 .
O1_8 Cu7 O3_5 90.3(4) . .
O3_3 Cu7 O3_7 89.4(4) 2_666 .
O1_8 Cu7 O3_7 168.7(3) . .
O3_5 Cu7 O3_7 88.9(4) . .
O3_3 Cu7 O1_22 94.8(5) 2_666 .
O1_8 Cu7 O1_22 95.1(4) . .
O3_5 Cu7 O1_22 97.6(5) . .
O3_7 Cu7 O1_22 96.2(4) . .
O3_3 Cu7 Cu8 83.0(2) 2_666 .
O1_8 Cu7 Cu8 84.5(2) . .
O3_5 Cu7 Cu8 84.7(2) . .
O3_7 Cu7 Cu8 84.2(2) . .
O1_22 Cu7 Cu8 177.7(4) . .
O4_3 Cu8 O4_7 89.2(4) 2_666 .
O4_3 Cu8 O2_8 89.5(4) 2_666 .
O4_7 Cu8 O2_8 168.4(3) . .
O4_3 Cu8 O4_5 170.0(3) 2_666 .
O4_7 Cu8 O4_5 88.0(4) . .
O2_8 Cu8 O4_5 91.4(4) . .
O4_3 Cu8 O1_16 98.5(3) 2_666 .
O4_7 Cu8 O1_16 96.9(3) . .
O2_8 Cu8 O1_16 94.7(3) . .
O4_5 Cu8 O1_16 91.4(3) . .
O4_3 Cu8 Cu7 86.4(2) 2_666 .
O4_7 Cu8 Cu7 83.8(2) . .
O2_8 Cu8 Cu7 84.6(2) . .
O4_5 Cu8 Cu7 83.8(2) . .
O1_16 Cu8 Cu7 175.1(2) . .
O3_8 Cu9 O1_12 88.5(3) . .
O3_8 Cu9 O1_10 168.6(4) . .
O1_12 Cu9 O1_10 91.4(3) . .
O3_8 Cu9 O1_9 90.8(4) . .
O1_12 Cu9 O1_9 168.5(4) . .
O1_10 Cu9 O1_9 87.0(4) . .
O3_8 Cu9 O1_23 98.4(5) . .
O1_12 Cu9 O1_23 97.2(5) . .
O1_10 Cu9 O1_23 92.9(5) . .
O1_9 Cu9 O1_23 94.3(5) . .
O3_8 Cu9 Cu10 86.0(3) . .
O1_12 Cu9 Cu10 85.5(3) . .
O1_10 Cu9 Cu10 82.6(2) . .
O1_9 Cu9 Cu10 83.0(3) . .
O1_23 Cu9 Cu10 174.9(6) . .
O2_10 Cu10 O2_12 89.2(3) . .
O2_10 Cu10 O4_8 167.5(3) . .
O2_12 Cu10 O4_8 90.1(3) . .
O2_10 Cu10 O2_9 89.0(3) . .
O2_12 Cu10 O2_9 168.6(4) . .
O4_8 Cu10 O2_9 89.2(3) . .
O2_10 Cu10 O1_17 96.0(3) . .
O2_12 Cu10 O1_17 93.3(3) . .
O4_8 Cu10 O1_17 96.5(3) . .
O2_9 Cu10 O1_17 98.1(4) . .
O2_10 Cu10 Cu9 84.1(2) . .
O2_12 Cu10 Cu9 83.1(2) . .
O4_8 Cu10 Cu9 83.4(3) . .
O2_9 Cu10 Cu9 85.5(3) . .
O1_17 Cu10 Cu9 176.5(3) . .
O1_11 Cu11 O3_9 88.9(3) . .
O1_11 Cu11 O3_6 167.8(4) . .
O3_9 Cu11 O3_6 90.9(3) . .
O1_11 Cu11 O3_2 89.0(3) . .
O3_9 Cu11 O3_2 169.6(4) . .
O3_6 Cu11 O3_2 88.9(3) . .
O1_11 Cu11 O1_24 102.0(4) . .
O3_9 Cu11 O1_24 99.7(5) . .
O3_6 Cu11 O1_24 90.1(4) . .
O3_2 Cu11 O1_24 90.7(4) . .
O1_11 Cu11 Cu12 84.9(3) . .
O3_9 Cu11 Cu12 86.1(3) . .
O3_6 Cu11 Cu12 82.8(3) . .
O3_2 Cu11 Cu12 83.5(3) . .
O1_24 Cu11 Cu12 170.9(4) . .
O2_11 Cu12 O4_6 169.6(4) . .
O2_11 Cu12 O4_2 89.5(3) . .
O4_6 Cu12 O4_2 90.1(4) . .
O2_11 Cu12 O4_9 87.9(3) . .
O4_6 Cu12 O4_9 90.4(4) . .
O4_2 Cu12 O4_9 168.1(4) . .
O2_11 Cu12 O1_18 96.0(4) . .
O4_6 Cu12 O1_18 94.4(4) . .
O4_2 Cu12 O1_18 96.9(4) . .
O4_9 Cu12 O1_18 94.9(4) . .
O2_11 Cu12 Cu11 83.9(3) . .
O4_6 Cu12 Cu11 85.7(3) . .
O4_2 Cu12 Cu11 84.3(3) . .
O4_9 Cu12 Cu11 83.9(3) . .
O1_18 Cu12 Cu11 178.8(3) . .
C1_1 O1_1 Cu1 120.8(7) . .
C1_1 O2_1 Cu2 120.6(7) . .
C8_1 O3_1 Cu3 122.1(7) . .
C8_1 O4_1 Cu4 125.0(8) . .
C4_1 O5_1 C9_1 115.0(11) . .
O1_1 C1_1 O2_1 128.3(10) . .
O1_1 C1_1 C2_1 115.3(9) . .
O2_1 C1_1 C2_1 116.3(9) . .
C7_1 C2_1 C3_1 120.6(11) . .
C7_1 C2_1 C1_1 120.7(10) . .
C3_1 C2_1 C1_1 118.7(9) . .
C4_1 C3_1 C2_1 118.8(10) . .
C4_1 C3_1 H3_1 120.6 . .
C2_1 C3_1 H3_1 120.6 . .
O5_1 C4_1 C3_1 124.3(10) . .
O5_1 C4_1 C5_1 116.6(11) . .
C3_1 C4_1 C5_1 118.8(11) . .
C6_1 C5_1 C4_1 120.5(12) . .
C6_1 C5_1 H5_1 119.7 . .
C4_1 C5_1 H5_1 119.7 . .
C5_1 C6_1 C7_1 120.3(10) . .
C5_1 C6_1 C8_1 119.4(11) . .
C7_1 C6_1 C8_1 120.3(11) . .
C2_1 C7_1 C6_1 120.6(11) . .
C2_1 C7_1 H7_1 119.7 . .
C6_1 C7_1 H7_1 119.7 . .
O3_1 C8_1 O4_1 124.4(10) . .
O3_1 C8_1 C6_1 118.5(10) . .
O4_1 C8_1 C6_1 117.1(11) . .
O5_1 C9_1 C10_1 115.0(13) . .
O5_1 C9_1 H9A_1 108.5 . .
C10_1 C9_1 H9A_1 108.5 . .
O5_1 C9_1 H9B_1 108.5 . .
C10_1 C9_1 H9B_1 108.5 . .
H9A_1 C9_1 H9B_1 107.5 . .
C9_1 C10_1 H10A_1 109.5 . .
C9_1 C10_1 H10B_1 109.5 . .
H10A_1 C10_1 H10B_1 109.5 . .
C9_1 C10_1 H10C_1 109.5 . .
H10A_1 C10_1 H10C_1 109.5 . .
H10B_1 C10_1 H10C_1 109.5 . .
C1_2 O1_2 Cu1 124.0(8) . .
C1_2 O2_2 Cu2 123.5(8) . .
C8_2 O3_2 Cu11 124.0(9) . .
C8_2 O4_2 Cu12 121.5(8) . .
C4_2 O5_2 C9_2 118.0(10) . .
O1_2 C1_2 O2_2 123.1(12) . .
O1_2 C1_2 C2_2 118.3(10) . .
O2_2 C1_2 C2_2 118.6(11) . .
C7_2 C2_2 C3_2 117.4(12) . .
C7_2 C2_2 C1_2 121.9(11) . .
C3_2 C2_2 C1_2 120.7(10) . .
C4_2 C3_2 C2_2 122.1(11) . .
C4_2 C3_2 H3_2 118.9 . .
C2_2 C3_2 H3_2 118.9 . .
C5_2 C4_2 O5_2 126.4(13) . .
C5_2 C4_2 C3_2 117.4(12) . .
O5_2 C4_2 C3_2 116.1(11) . .
C4_2 C5_2 C6_2 123.3(14) . .
C4_2 C5_2 H5_2 118.4 . .
C6_2 C5_2 H5_2 118.4 . .
C5_2 C6_2 C7_2 119.5(11) . .
C5_2 C6_2 C8_2 122.4(13) . .
C7_2 C6_2 C8_2 118.0(11) . .
C2_2 C7_2 C6_2 120.3(12) . .
C2_2 C7_2 H7_2 119.9 . .
C6_2 C7_2 H7_2 119.9 . .
O3_2 C8_2 O4_2 126.7(11) . .
O3_2 C8_2 C6_2 117.1(13) . .
O4_2 C8_2 C6_2 116.1(11) . .
O5_2 C9_2 C10_2 107.2(13) . .
O5_2 C9_2 H9A_2 110.3 . .
C10_2 C9_2 H9A_2 110.3 . .
O5_2 C9_2 H9B_2 110.3 . .
C10_2 C9_2 H9B_2 110.3 . .
H9A_2 C9_2 H9B_2 108.5 . .
C9_2 C10_2 H10A_2 109.5 . .
C9_2 C10_2 H10B_2 109.5 . .
H10A_2 C10_2 H10B_2 109.5 . .
C9_2 C10_2 H10C_2 109.5 . .
H10A_2 C10_2 H10C_2 109.5 . .
H10B_2 C10_2 H10C_2 109.5 . .
C1_3 O1_3 Cu1 124.7(8) . .
C1_3 O2_3 Cu2 118.7(8) . .
C8_3 O3_3 Cu7 124.8(8) . 2_666
C8_3 O4_3 Cu8 120.3(7) . 2_666
C4_3 O5_3 C9_3 116.9(13) . .
O1_3 C1_3 O2_3 128.0(11) . .
O1_3 C1_3 C2_3 115.6(10) . .
O2_3 C1_3 C2_3 116.3(11) . .
C7_3 C2_3 C3_3 120.5(11) . .
C7_3 C2_3 C1_3 119.2(11) . .
C3_3 C2_3 C1_3 120.3(11) . .
C4_3 C3_3 C2_3 119.0(13) . .
C4_3 C3_3 H3_3 120.5 . .
C2_3 C3_3 H3_3 120.5 . .
C5_3 C4_3 C3_3 122.4(13) . .
C5_3 C4_3 O5_3 113.4(12) . .
C3_3 C4_3 O5_3 124.2(13) . .
C4_3 C5_3 C6_3 117.9(12) . .
C4_3 C5_3 H5_3 121.0 . .
C6_3 C5_3 H5_3 121.0 . .
C7_3 C6_3 C5_3 120.7(12) . .
C7_3 C6_3 C8_3 119.4(11) . .
C5_3 C6_3 C8_3 119.9(11) . .
C2_3 C7_3 C6_3 119.6(11) . .
C2_3 C7_3 H7_3 120.2 . .
C6_3 C7_3 H7_3 120.2 . .
O3_3 C8_3 O4_3 125.6(11) . .
O3_3 C8_3 C6_3 117.4(10) . .
O4_3 C8_3 C6_3 117.1(10) . .
O5_3 C9_3 C10_3 105.8(17) . .
O5_3 C9_3 H9A_3 110.6 . .
C10_3 C9_3 H9A_3 110.6 . .
O5_3 C9_3 H9B_3 110.6 . .
C10_3 C9_3 H9B_3 110.6 . .
H9A_3 C9_3 H9B_3 108.7 . .
C9_3 C10_3 H10A_3 109.5 . .
C9_3 C10_3 H10B_3 109.5 . .
H10A_3 C10_3 H10B_3 109.5 . .
C9_3 C10_3 H10C_3 109.5 . .
H10A_3 C10_3 H10C_3 109.5 . .
H10B_3 C10_3 H10C_3 109.5 . .
C1_4 O1_4 Cu3 123.7(8) . .
C1_4 O2_4 Cu4 122.6(8) . .
C8_4 O3_4 Cu5 121.2(9) . .
C8_4 O4_4 Cu6 124.6(8) . .
C4_4 O5_4 C9_4 117.4(13) . .
O1_4 C1_4 O2_4 125.3(13) . .
O1_4 C1_4 C2_4 118.5(11) . .
O2_4 C1_4 C2_4 116.2(10) . .
C3_4 C2_4 C7_4 122.0(13) . .
C3_4 C2_4 C1_4 120.4(12) . .
C7_4 C2_4 C1_4 117.5(10) . .
C2_4 C3_4 C4_4 121.8(13) . .
C2_4 C3_4 H3_4 119.1 . .
C4_4 C3_4 H3_4 119.1 . .
O5_4 C4_4 C3_4 118.1(13) . .
O5_4 C4_4 C5_4 125.5(14) . .
C3_4 C4_4 C5_4 116.1(12) . .
C6_4 C5_4 C4_4 120.0(13) . .
C6_4 C5_4 H5_4 120.0 . .
C4_4 C5_4 H5_4 120.0 . .
C5_4 C6_4 C7_4 122.7(12) . .
C5_4 C6_4 C8_4 117.0(13) . .
C7_4 C6_4 C8_4 120.2(11) . .
C6_4 C7_4 C2_4 117.3(11) . .
C6_4 C7_4 H7_4 121.3 . .
C2_4 C7_4 H7_4 121.3 . .
O4_4 C8_4 O3_4 126.8(12) . .
O4_4 C8_4 C6_4 117.2(11) . .
O3_4 C8_4 C6_4 116.0(12) . .
C10_4 C9_4 O5_4 114.6(19) . .
C10_4 C9_4 H9A_4 108.6 . .
O5_4 C9_4 H9A_4 108.6 . .
C10_4 C9_4 H9B_4 108.6 . .
O5_4 C9_4 H9B_4 108.6 . .
H9A_4 C9_4 H9B_4 107.6 . .
C9_4 C10_4 H10A_4 109.5 . .
C9_4 C10_4 H10B_4 109.5 . .
H10A_4 C10_4 H10B_4 109.5 . .
C9_4 C10_4 H10C_4 109.5 . .
H10A_4 C10_4 H10C_4 109.5 . .
H10B_4 C10_4 H10C_4 109.5 . .
C1_5 O1_5 Cu3 123.6(7) . .
C1_5 O2_5 Cu4 121.8(7) . .
C8_5 O3_5 Cu7 122.9(7) . .
C8_5 O4_5 Cu8 123.8(8) . .
C4_5 O5_5 C9_5 118.0(11) . .
O2_5 C1_5 O1_5 126.2(10) . .
O2_5 C1_5 C2_5 115.6(10) . .
O1_5 C1_5 C2_5 118.1(10) . .
C3_5 C2_5 C7_5 120.9(10) . .
C3_5 C2_5 C1_5 121.6(10) . .
C7_5 C2_5 C1_5 117.2(10) . .
C4_5 C3_5 C2_5 119.8(12) . .
C4_5 C3_5 H3_5 120.1 . .
C2_5 C3_5 H3_5 120.1 . .
C5_5 C4_5 C3_5 121.0(12) . .
C5_5 C4_5 O5_5 123.5(11) . .
C3_5 C4_5 O5_5 115.4(11) . .
C4_5 C5_5 C6_5 120.1(10) . .
C4_5 C5_5 H5_5 119.9 . .
C6_5 C5_5 H5_5 119.9 . .
C7_5 C6_5 C5_5 118.8(11) . .
C7_5 C6_5 C8_5 121.0(11) . .
C5_5 C6_5 C8_5 120.2(10) . .
C6_5 C7_5 C2_5 119.3(11) . .
C6_5 C7_5 H7_5 120.4 . .
C2_5 C7_5 H7_5 120.4 . .
O4_5 C8_5 O3_5 124.6(12) . .
O4_5 C8_5 C6_5 117.6(11) . .
O3_5 C8_5 C6_5 117.8(9) . .
O5_5 C9_5 C10_5 109.4(13) . .
O5_5 C9_5 H9A_5 109.8 . .
C10_5 C9_5 H9A_5 109.8 . .
O5_5 C9_5 H9B_5 109.8 . .
C10_5 C9_5 H9B_5 109.8 . .
H9A_5 C9_5 H9B_5 108.2 . .
C9_5 C10_5 H10A_5 109.5 . .
C9_5 C10_5 H10B_5 109.5 . .
H10A_5 C10_5 H10B_5 109.5 . .
C9_5 C10_5 H10C_5 109.5 . .
H10A_5 C10_5 H10C_5 109.5 . .
H10B_5 C10_5 H10C_5 109.5 . .
C1_6 O1_6 Cu3 124.5(9) . .
C1_6 O2_6 Cu4 122.6(9) . .
C8_6 O3_6 Cu11 125.6(9) . .
C8_6 O4_6 Cu12 119.7(8) . .
C4_6 O5_6 C9_6 120.2(13) . .
O1_6 C1_6 O2_6 124.4(14) . .
O1_6 C1_6 C2_6 119.8(11) . .
O2_6 C1_6 C2_6 115.7(11) . .
C3_6 C2_6 C7_6 120.0 . .
C3_6 C2_6 C1_6 122.7(7) . .
C7_6 C2_6 C1_6 117.3(7) . .
C2_6 C3_6 C4_6 120.0 . .
C2_6 C3_6 H3_6 120.0 . .
C4_6 C3_6 H3_6 120.0 . .
O5_6 C4_6 C5_6 122.8(9) . .
O5_6 C4_6 C3_6 116.9(9) . .
C5_6 C4_6 C3_6 120.0 . .
C4_6 C5_6 C6_6 120.0 . .
C4_6 C5_6 H5_6 120.0 . .
C6_6 C5_6 H5_6 120.0 . .
C7_6 C6_6 C5_6 120.0 . .
C7_6 C6_6 C8_6 117.2(9) . .
C5_6 C6_6 C8_6 122.8(9) . .
C6_6 C7_6 C2_6 120.0 . .
C6_6 C7_6 H7_6 120.0 . .
C2_6 C7_6 H7_6 120.0 . .
O3_6 C8_6 O4_6 126.0(11) . .
O3_6 C8_6 C6_6 118.9(13) . .
O4_6 C8_6 C6_6 115.0(11) . .
C10_6 C9_6 O5_6 104.3(18) . .
C10_6 C9_6 H9A_6 110.9 . .
O5_6 C9_6 H9A_6 110.9 . .
C10_6 C9_6 H9B_6 110.9 . .
O5_6 C9_6 H9B_6 110.9 . .
H9A_6 C9_6 H9B_6 108.9 . .
C9_6 C10_6 H10A_6 109.5 . .
C9_6 C10_6 H10B_6 109.5 . .
H10A_6 C10_6 H10B_6 109.5 . .
C9_6 C10_6 H10C_6 109.5 . .
H10A_6 C10_6 H10C_6 109.5 . .
H10B_6 C10_6 H10C_6 109.5 . .
C1_7 O1_7 Cu5 120.6(7) . .
C1_7 O2_7 Cu6 124.6(7) . .
C8_7 O3_7 Cu7 123.2(8) . .
C8_7 O4_7 Cu8 122.8(8) . .
C4_7 O5_7 C9_7 117.7(9) . .
O2_7 C1_7 O1_7 126.7(10) . .
O2_7 C1_7 C2_7 120.2(11) . .
O1_7 C1_7 C2_7 113.2(11) . .
C7_7 C2_7 C3_7 120.3(10) . .
C7_7 C2_7 C1_7 124.7(11) . .
C3_7 C2_7 C1_7 115.1(12) . .
C4_7 C3_7 C2_7 118.0(12) . .
C4_7 C3_7 H3_7 121.0 . .
C2_7 C3_7 H3_7 121.0 . .
C5_7 C4_7 O5_7 117.1(10) . .
C5_7 C4_7 C3_7 120.2(11) . .
O5_7 C4_7 C3_7 122.7(12) . .
C4_7 C5_7 C6_7 120.5(10) . .
C4_7 C5_7 H5_7 119.7 . .
C6_7 C5_7 H5_7 119.7 . .
C7_7 C6_7 C5_7 119.4(12) . .
C7_7 C6_7 C8_7 120.3(11) . .
C5_7 C6_7 C8_7 120.2(10) . .
C2_7 C7_7 C6_7 121.5(11) . .
C2_7 C7_7 H7_7 119.2 . .
C6_7 C7_7 H7_7 119.2 . .
O3_7 C8_7 O4_7 125.7(12) . .
O3_7 C8_7 C6_7 116.6(9) . .
O4_7 C8_7 C6_7 117.6(10) . .
O5_7 C9_7 C10_7 107.6(11) . .
O5_7 C9_7 H9A_7 110.2 . .
C10_7 C9_7 H9A_7 110.2 . .
O5_7 C9_7 H9B_7 110.2 . .
C10_7 C9_7 H9B_7 110.2 . .
H9A_7 C9_7 H9B_7 108.5 . .
C9_7 C10_7 H10A_7 109.5 . .
C9_7 C10_7 H10B_7 109.5 . .
H10A_7 C10_7 H10B_7 109.5 . .
C9_7 C10_7 H10C_7 109.5 . .
H10A_7 C10_7 H10C_7 109.5 . .
H10B_7 C10_7 H10C_7 109.5 . .
C1_8 O1_8 Cu7 123.5(9) . .
C1_8 O2_8 Cu8 121.0(8) . .
C8_8 O3_8 Cu9 119.3(8) . .
C8_8 O4_8 Cu10 123.7(8) . .
C4_8 O5_8 C9_8 114.8(13) . .
O1_8 C1_8 O2_8 125.8(13) . .
O1_8 C1_8 C2_8 116.7(11) . .
O2_8 C1_8 C2_8 117.2(11) . .
C7_8 C2_8 C3_8 121.3(13) . .
C7_8 C2_8 C1_8 120.6(11) . .
C3_8 C2_8 C1_8 118.1(11) . .
C4_8 C3_8 C2_8 116.0(12) . .
C4_8 C3_8 H3_8 122.0 . .
C2_8 C3_8 H3_8 122.0 . .
O5_8 C4_8 C3_8 122.8(13) . .
O5_8 C4_8 C5_8 113.6(14) . .
C3_8 C4_8 C5_8 122.8(12) . .
C6_8 C5_8 C4_8 120.4(13) . .
C6_8 C5_8 H5_8 119.8 . .
C4_8 C5_8 H5_8 119.8 . .
C5_8 C6_8 C7_8 118.6(11) . .
C5_8 C6_8 C8_8 121.0(13) . .
C7_8 C6_8 C8_8 120.4(11) . .
C2_8 C7_8 C6_8 120.5(11) . .
C2_8 C7_8 H7_8 119.7 . .
C6_8 C7_8 H7_8 119.7 . .
O4_8 C8_8 O3_8 127.2(10) . .
O4_8 C8_8 C6_8 119.2(12) . .
O3_8 C8_8 C6_8 113.3(12) . .
O5_8 C9_8 C10_8 109.9(16) . .
O5_8 C9_8 H9A_8 109.7 . .
C10_8 C9_8 H9A_8 109.7 . .
O5_8 C9_8 H9B_8 109.7 . .
C10_8 C9_8 H9B_8 109.7 . .
H9A_8 C9_8 H9B_8 108.2 . .
C9_8 C10_8 H10A_8 109.5 . .
C9_8 C10_8 H10B_8 109.5 . .
H10A_8 C10_8 H10B_8 109.5 . .
C9_8 C10_8 H10C_8 109.5 . .
H10A_8 C10_8 H10C_8 109.5 . .
H10B_8 C10_8 H10C_8 109.5 . .
C1_9 O1_9 Cu9 122.6(7) . .
C1_9 O2_9 Cu10 119.6(9) . .
C8_9 O3_9 Cu11 120.6(8) . .
C8_9 O4_9 Cu12 120.9(9) . .
C4_9 O5_9 C9_9 115.9(11) . .
O1_9 C1_9 O2_9 129.2(12) . .
O1_9 C1_9 C2_9 115.4(11) . .
O2_9 C1_9 C2_9 115.4(14) . .
C3_9 C2_9 C7_9 120.7(12) . .
C3_9 C2_9 C1_9 119.7(11) . .
C7_9 C2_9 C1_9 119.5(13) . .
C2_9 C3_9 C4_9 120.9(12) . .
C2_9 C3_9 H3_9 119.5 . .
C4_9 C3_9 H3_9 119.5 . .
C3_9 C4_9 O5_9 127.7(12) . .
C3_9 C4_9 C5_9 117.1(14) . .
O5_9 C4_9 C5_9 115.1(12) . .
C6_9 C5_9 C4_9 121.7(12) . .
C6_9 C5_9 H5_9 119.2 . .
C4_9 C5_9 H5_9 119.2 . .
C5_9 C6_9 C7_9 121.1(11) . .
C5_9 C6_9 C8_9 119.0(12) . .
C7_9 C6_9 C8_9 119.7(13) . .
C6_9 C7_9 C2_9 118.5(13) . .
C6_9 C7_9 H7_9 120.8 . .
C2_9 C7_9 H7_9 120.8 . .
O3_9 C8_9 O4_9 127.5(11) . .
O3_9 C8_9 C6_9 115.8(11) . .
O4_9 C8_9 C6_9 116.5(13) . .
C10_9 C9_9 O5_9 101.1(15) . .
C10_9 C9_9 H9A_9 111.6 . .
O5_9 C9_9 H9A_9 111.6 . .
C10_9 C9_9 H9B_9 111.6 . .
O5_9 C9_9 H9B_9 111.6 . .
H9A_9 C9_9 H9B_9 109.4 . .
C9_9 C10_9 H10A_9 109.5 . .
C9_9 C10_9 H10B_9 109.5 . .
H10A_9 C10_9 H10B_9 109.5 . .
C9_9 C10_9 H10C_9 109.5 . .
H10A_9 C10_9 H10C_9 109.5 . .
H10B_9 C10_9 H10C_9 109.5 . .
C1_10 O1_10 Cu9 125.3(7) . .
C1_10 O2_10 Cu10 123.6(8) . .
C8_10 O3_10 Cu5 122.9(6) . 2_666
C8_10 O4_10 Cu6 123.8(7) . 2_666
C4_10 O5_10 C9_10 121.8(9) . .
O1_10 C1_10 O2_10 123.9(10) . .
O1_10 C1_10 C2_10 117.1(10) . .
O2_10 C1_10 C2_10 119.0(11) . .
C3_10 C2_10 C7_10 122.1(10) . .
C3_10 C2_10 C1_10 120.4(9) . .
C7_10 C2_10 C1_10 117.3(10) . .
C2_10 C3_10 C4_10 120.2(10) . .
C2_10 C3_10 H3_10 119.9 . .
C4_10 C3_10 H3_10 119.9 . .
O5_10 C4_10 C5_10 124.7(9) . .
O5_10 C4_10 C3_10 116.1(10) . .
C5_10 C4_10 C3_10 119.1(11) . .
C6_10 C5_10 C4_10 120.1(9) . .
C6_10 C5_10 H5_10 120.0 . .
C4_10 C5_10 H5_10 120.0 . .
C5_10 C6_10 C7_10 122.8(9) . .
C5_10 C6_10 C8_10 121.3(9) . .
C7_10 C6_10 C8_10 115.9(9) . .
C2_10 C7_10 C6_10 115.6(10) . .
C2_10 C7_10 H7_10 122.2 . .
C6_10 C7_10 H7_10 122.2 . .
O4_10 C8_10 O3_10 125.9(9) . .
O4_10 C8_10 C6_10 115.5(10) . .
O3_10 C8_10 C6_10 118.6(8) . .
C10_10 C9_10 O5_10 118.0(14) . .
C10_10 C9_10 H9A_10 107.8 . .
O5_10 C9_10 H9A_10 107.8 . .
C10_10 C9_10 H9B_10 107.8 . .
O5_10 C9_10 H9B_10 107.8 . .
H9A_10 C9_10 H9B_10 107.1 . .
C1_11 O1_11 Cu11 122.3(8) . .
C1_11 O2_11 Cu12 123.6(9) . .
C8_11 O3_11 Cu5 122.8(7) . 2_666
C8_11 O4_11 Cu6 124.1(8) . 2_666
C4_11 O5_11 C9_11 118.6(10) . .
O2_11 C1_11 O1_11 125.1(11) . .
O2_11 C1_11 C2_11 117.5(12) . .
O1_11 C1_11 C2_11 117.4(11) . .
C3_11 C2_11 C7_11 119.9(11) . .
C3_11 C2_11 C1_11 119.4(11) . .
C7_11 C2_11 C1_11 120.7(11) . .
C2_11 C3_11 C4_11 120.4(11) . .
C2_11 C3_11 H3_11 119.8 . .
C4_11 C3_11 H3_11 119.8 . .
O5_11 C4_11 C5_11 126.6(11) . .
O5_11 C4_11 C3_11 115.9(11) . .
C5_11 C4_11 C3_11 117.4(12) . .
C6_11 C5_11 C4_11 120.6(10) . .
C6_11 C5_11 H5_11 119.7 . .
C4_11 C5_11 H5_11 119.7 . .
C7_11 C6_11 C5_11 120.8(12) . .
C7_11 C6_11 C8_11 118.6(11) . .
C5_11 C6_11 C8_11 120.6(10) . .
C6_11 C7_11 C2_11 120.5(12) . .
C6_11 C7_11 H7_11 119.7 . .
C2_11 C7_11 H7_11 119.7 . .
O3_11 C8_11 O4_11 125.8(11) . .
O3_11 C8_11 C6_11 118.6(10) . .
O4_11 C8_11 C6_11 115.6(11) . .
O5_11 C9_11 C10_11 108.4(11) . .
O5_11 C9_11 H9A_11 110.0 . .
C10_11 C9_11 H9A_11 110.0 . .
O5_11 C9_11 H9B_11 110.0 . .
C10_11 C9_11 H9B_11 110.0 . .
H9A_11 C9_11 H9B_11 108.4 . .
C9_11 C10_11 H10A_11 109.5 . .
C9_11 C10_11 H10B_11 109.5 . .
H10A_11 C10_11 H10B_11 109.5 . .
C9_11 C10_11 H10C_11 109.5 . .
H10A_11 C10_11 H10C_11 109.5 . .
H10B_11 C10_11 H10C_11 109.5 . .
C1_12 O1_12 Cu9 121.5(8) . .
C1_12 O2_12 Cu10 126.1(7) . .
C8_12 O3_12 Cu1 122.4(9) . 2_666
C8_12 O4_12 Cu2 119.7(8) . 2_666
C4_12 O5_12 C9_12 119.5(11) . .
O2_12 C1_12 O1_12 123.7(11) . .
O2_12 C1_12 C2_12 121.4(9) . .
O1_12 C1_12 C2_12 114.6(11) . .
C7_12 C2_12 C3_12 119.9(11) . .
C7_12 C2_12 C1_12 121.9(10) . .
C3_12 C2_12 C1_12 118.2(11) . .
C4_12 C3_12 C2_12 120.6(13) . .
C4_12 C3_12 H3_12 119.7 . .
C2_12 C3_12 H3_12 119.7 . .
C3_12 C4_12 O5_12 116.7(12) . .
C3_12 C4_12 C5_12 120.1(11) . .
O5_12 C4_12 C5_12 123.2(11) . .
C4_12 C5_12 C6_12 119.2(12) . .
C4_12 C5_12 H5_12 120.4 . .
C6_12 C5_12 H5_12 120.4 . .
C5_12 C6_12 C7_12 120.8(12) . .
C5_12 C6_12 C8_12 120.3(11) . .
C7_12 C6_12 C8_12 118.9(10) . .
C2_12 C7_12 C6_12 119.3(11) . .
C2_12 C7_12 H7_12 120.3 . .
C6_12 C7_12 H7_12 120.3 . .
O3_12 C8_12 O4_12 128.3(12) . .
O3_12 C8_12 C6_12 116.4(11) . .
O4_12 C8_12 C6_12 115.3(10) . .
O5_12 C9_12 C10_12 114.6(15) . .
O5_12 C9_12 H9A_12 108.6 . .
C10_12 C9_12 H9A_12 108.6 . .
O5_12 C9_12 H9B_12 108.6 . .
C10_12 C9_12 H9B_12 108.6 . .
H9A_12 C9_12 H9B_12 107.6 . .
C9_12 C10_12 H10A_12 109.5 . .
C9_12 C10_12 H10B_12 109.5 . .
H10A_12 C10_12 H10B_12 109.5 . .
C9_12 C10_12 H10C_12 109.5 . .
H10A_12 C10_12 H10C_12 109.5 . .
H10B_12 C10_12 H10C_12 109.5 . .
C1_13 O1_13 Cu2 119.9(8) . .
C1_13 N1_13 C3_13 116.6(15) . .
C1_13 N1_13 C2_13 122.2(15) . .
C3_13 N1_13 C2_13 121.0(15) . .
N1_13 C1_13 O1_13 122.4(14) . .
N1_13 C1_13 H1_13 118.8 . .
O1_13 C1_13 H1_13 118.8 . .
N1_13 C3_13 H3A_13 109.5 . .
N1_13 C3_13 H3B_13 109.5 . .
H3A_13 C3_13 H3B_13 109.5 . .
N1_13 C3_13 H3C_13 109.5 . .
H3A_13 C3_13 H3C_13 109.5 . .
H3B_13 C3_13 H3C_13 109.5 . .
N1_13 C2_13 H2A_13 109.5 . .
N1_13 C2_13 H2B_13 109.5 . .
H2A_13 C2_13 H2B_13 109.5 . .
N1_13 C2_13 H2C_13 109.5 . .
H2A_13 C2_13 H2C_13 109.5 . .
H2B_13 C2_13 H2C_13 109.5 . .
C1_14 O1_14 Cu4 123.7(13) . .
N1_14 C3_14 H3A_14 109.5 . .
N1_14 C3_14 H3B_14 109.5 . .
H3A_14 C3_14 H3B_14 109.5 . .
N1_14 C3_14 H3C_14 109.5 . .
H3A_14 C3_14 H3C_14 109.5 . .
H3B_14 C3_14 H3C_14 109.5 . .
C1_14 N1_14 C3_14 119(2) . .
O1_14 C1_14 N1_14 128(2) . .
O1_14 C1_14 H1_14 115.8 . .
N1_14 C1_14 H1_14 115.8 . .
C1_15 O1_15 Cu6 114.0(9) . .
C1_15 N1_15 C2_15 124.1(11) . .
C1_15 N1_15 C3_15 120.3(13) . .
C2_15 N1_15 C3_15 115.4(11) . .
O1_15 C1_15 N1_15 124.2(14) . .
O1_15 C1_15 H1_15 117.9 . .
N1_15 C1_15 H1_15 117.9 . .
N1_15 C2_15 H2A_15 109.5 . .
N1_15 C2_15 H2B_15 109.5 . .
H2A_15 C2_15 H2B_15 109.5 . .
N1_15 C2_15 H2C_15 109.5 . .
H2A_15 C2_15 H2C_15 109.5 . .
H2B_15 C2_15 H2C_15 109.5 . .
N1_15 C3_15 H3A_15 109.5 . .
N1_15 C3_15 H3B_15 109.5 . .
H3A_15 C3_15 H3B_15 109.5 . .
N1_15 C3_15 H3C_15 109.5 . .
H3A_15 C3_15 H3C_15 109.5 . .
H3B_15 C3_15 H3C_15 109.5 . .
C1_16 O1_16 Cu8 128.3(8) . .
C1_16 N1_16 C2_16 122.2(14) . .
C1_16 N1_16 C3_16 119.3(15) . .
C2_16 N1_16 C3_16 118.4(14) . .
O1_16 C1_16 N1_16 129.3(16) . .
O1_16 C1_16 H1_16 115.3 . .
N1_16 C1_16 H1_16 115.3 . .
N1_16 C2_16 H2A_16 120.0 . .
N1_16 C2_16 H2B_16 120.0 . .
H2A_16 C2_16 H2B_16 120.0 . .
N1_16 C3_16 H3A_16 109.5 . .
N1_16 C3_16 H3B_16 109.5 . .
H3A_16 C3_16 H3B_16 109.5 . .
N1_16 C3_16 H3C_16 109.5 . .
H3A_16 C3_16 H3C_16 109.5 . .
H3B_16 C3_16 H3C_16 109.5 . .
C1_17 O1_17 Cu10 124.9(9) . .
C1_17 N1_17 C2_17 118.0(13) . .
C1_17 N1_17 C3_17 121.2(12) . .
C2_17 N1_17 C3_17 120.5(13) . .
O1_17 C1_17 N1_17 125.2(13) . .
O1_17 C1_17 H1_17 117.4 . .
N1_17 C1_17 H1_17 117.4 . .
N1_17 C2_17 H2A_17 109.5 . .
N1_17 C2_17 H2B_17 109.5 . .
H2A_17 C2_17 H2B_17 109.5 . .
N1_17 C2_17 H2C_17 109.5 . .
H2A_17 C2_17 H2C_17 109.5 . .
H2B_17 C2_17 H2C_17 109.5 . .
N1_17 C3_17 H3A_17 109.5 . .
N1_17 C3_17 H3B_17 109.5 . .
H3A_17 C3_17 H3B_17 109.5 . .
N1_17 C3_17 H3C_17 109.5 . .
H3A_17 C3_17 H3C_17 109.5 . .
H3B_17 C3_17 H3C_17 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O1_1 1.943(8) .
Cu1 O1_3 1.955(8) .
Cu1 O1_2 1.962(9) .
Cu1 O3_12 1.990(9) 2_666
Cu1 O1_19 2.155(8) .
Cu1 Cu2 2.617(2) .
Cu2 O2_2 1.958(8) .
Cu2 O2_1 1.964(7) .
Cu2 O2_3 1.972(8) .
Cu2 O4_12 1.983(9) 2_666
Cu2 O1_13 2.181(8) .
Cu3 O3_1 1.931(7) .
Cu3 O1_5 1.961(7) .
Cu3 O1_4 1.962(9) .
Cu3 O1_6 2.004(9) .
Cu3 O1_20 2.172(10) .
Cu3 Cu4 2.645(2) .
Cu4 O4_1 1.941(8) .
Cu4 O2_4 1.952(9) .
Cu4 O2_6 1.988(10) .
Cu4 O2_5 1.991(7) .
Cu4 O1_14 2.096(9) .
Cu5 O3_4 1.943(8) .
Cu5 O3_11 1.952(8) 2_666
Cu5 O3_10 1.955(7) 2_666
Cu5 O1_7 1.991(7) .
Cu5 O1_21 2.197(10) .
Cu5 Cu6 2.666(2) .
Cu6 O4_10 1.956(7) 2_666
Cu6 O4_11 1.962(7) 2_666
Cu6 O4_4 1.975(9) .
Cu6 O2_7 1.981(8) .
Cu6 O1_15 2.176(7) .
Cu7 O3_3 1.934(8) 2_666
Cu7 O1_8 1.937(9) .
Cu7 O3_5 1.944(9) .
Cu7 O3_7 1.967(9) .
Cu7 O1_22 2.155(9) .
Cu7 Cu8 2.633(2) .
Cu8 O4_3 1.934(8) 2_666
Cu8 O4_7 1.958(9) .
Cu8 O2_8 1.958(9) .
Cu8 O4_5 1.963(8) .
Cu8 O1_16 2.165(7) .
Cu9 O3_8 1.941(7) .
Cu9 O1_12 1.948(8) .
Cu9 O1_10 1.957(8) .
Cu9 O1_9 1.975(9) .
Cu9 O1_23 2.187(10) .
Cu9 Cu10 2.646(2) .
Cu10 O2_10 1.948(7) .
Cu10 O2_12 1.951(8) .
Cu10 O4_8 1.965(7) .
Cu10 O2_9 1.977(8) .
Cu10 O1_17 2.115(8) .
Cu11 O1_11 1.920(8) .
Cu11 O3_9 1.950(8) .
Cu11 O3_6 1.970(7) .
Cu11 O3_2 1.978(8) .
Cu11 O1_24 2.163(11) .
Cu11 Cu12 2.645(3) .
Cu12 O2_11 1.947(8) .
Cu12 O4_6 1.975(8) .
Cu12 O4_2 1.987(8) .
Cu12 O4_9 1.996(8) .
Cu12 O1_18 2.172(11) .
O1_1 C1_1 1.261(13) .
O2_1 C1_1 1.263(12) .
O3_1 C8_1 1.260(14) .
O4_1 C8_1 1.290(14) .
O5_1 C4_1 1.347(15) .
O5_1 C9_1 1.408(18) .
C1_1 C2_1 1.542(15) .
C2_1 C7_1 1.352(15) .
C2_1 C3_1 1.411(16) .
C3_1 C4_1 1.388(17) .
C3_1 H3_1 0.9500 .
C4_1 C5_1 1.411(16) .
C5_1 C6_1 1.361(17) .
C5_1 H5_1 0.9500 .
C6_1 C7_1 1.373(16) .
C6_1 C8_1 1.503(15) .
C7_1 H7_1 0.9500 .
C9_1 C10_1 1.53(2) .
C9_1 H9A_1 0.9900 .
C9_1 H9B_1 0.9900 .
C10_1 H10A_1 0.9800 .
C10_1 H10B_1 0.9800 .
C10_1 H10C_1 0.9800 .
O1_2 C1_2 1.270(14) .
O2_2 C1_2 1.292(13) .
O3_2 C8_2 1.220(14) .
O4_2 C8_2 1.271(15) .
O5_2 C4_2 1.380(14) .
O5_2 C9_2 1.386(17) .
C1_2 C2_2 1.431(17) .
C2_2 C7_2 1.396(15) .
C2_2 C3_2 1.411(17) .
C3_2 C4_2 1.398(18) .
C3_2 H3_2 0.9500 .
C4_2 C5_2 1.359(17) .
C5_2 C6_2 1.360(17) .
C5_2 H5_2 0.9500 .
C6_2 C7_2 1.401(17) .
C6_2 C8_2 1.511(16) .
C7_2 H7_2 0.9500 .
C9_2 C10_2 1.486(18) .
C9_2 H9A_2 0.9900 .
C9_2 H9B_2 0.9900 .
C10_2 H10A_2 0.9800 .
C10_2 H10B_2 0.9800 .
C10_2 H10C_2 0.9800 .
O1_3 C1_3 1.227(13) .
O2_3 C1_3 1.238(13) .
O3_3 C8_3 1.267(13) .
O4_3 C8_3 1.291(13) .
O5_3 C4_3 1.395(16) .
O5_3 C9_3 1.41(2) .
C1_3 C2_3 1.554(17) .
C2_3 C7_3 1.352(16) .
C2_3 C3_3 1.408(18) .
C3_3 C4_3 1.366(19) .
C3_3 H3_3 0.9500 .
C4_3 C5_3 1.360(19) .
C5_3 C6_3 1.410(18) .
C5_3 H5_3 0.9500 .
C6_3 C7_3 1.391(16) .
C6_3 C8_3 1.517(17) .
C7_3 H7_3 0.9500 .
C9_3 C10_3 1.66(3) .
C9_3 H9A_3 0.9900 .
C9_3 H9B_3 0.9900 .
C10_3 H10A_3 0.9800 .
C10_3 H10B_3 0.9800 .
C10_3 H10C_3 0.9800 .
O1_4 C1_4 1.248(13) .
O2_4 C1_4 1.275(13) .
O3_4 C8_4 1.272(14) .
O4_4 C8_4 1.226(15) .
O5_4 C4_4 1.332(16) .
O5_4 C9_4 1.49(2) .
C1_4 C2_4 1.520(18) .
C2_4 C3_4 1.332(17) .
C2_4 C7_4 1.420(16) .
C3_4 C4_4 1.417(19) .
C3_4 H3_4 0.9500 .
C4_4 C5_4 1.446(19) .
C5_4 C6_4 1.364(17) .
C5_4 H5_4 0.9500 .
C6_4 C7_4 1.370(17) .
C6_4 C8_4 1.523(17) .
C7_4 H7_4 0.9500 .
C9_4 C10_4 1.38(3) .
C9_4 H9A_4 0.9900 .
C9_4 H9B_4 0.9900 .
C10_4 H10A_4 0.9800 .
C10_4 H10B_4 0.9800 .
C10_4 H10C_4 0.9800 .
O1_5 C1_5 1.243(13) .
O2_5 C1_5 1.239(13) .
O3_5 C8_5 1.282(14) .
O4_5 C8_5 1.251(13) .
O5_5 C4_5 1.376(15) .
O5_5 C9_5 1.394(15) .
C1_5 C2_5 1.517(15) .
C2_5 C3_5 1.378(16) .
C2_5 C7_5 1.409(16) .
C3_5 C4_5 1.367(16) .
C3_5 H3_5 0.9500 .
C4_5 C5_5 1.361(17) .
C5_5 C6_5 1.437(17) .
C5_5 H5_5 0.9500 .
C6_5 C7_5 1.374(15) .
C6_5 C8_5 1.502(17) .
C7_5 H7_5 0.9500 .
C9_5 C10_5 1.54(2) .
C9_5 H9A_5 0.9900 .
C9_5 H9B_5 0.9900 .
C10_5 H10A_5 0.9800 .
C10_5 H10B_5 0.9800 .
C10_5 H10C_5 0.9800 .
O1_6 C1_6 1.227(14) .
O2_6 C1_6 1.309(14) .
O3_6 C8_6 1.213(15) .
O4_6 C8_6 1.312(16) .
O5_6 C4_6 1.375(14) .
O5_6 C9_6 1.73(3) .
C1_6 C2_6 1.470(16) .
C2_6 C3_6 1.3900 .
C2_6 C7_6 1.3900 .
C3_6 C4_6 1.3900 .
C3_6 H3_6 0.9500 .
C4_6 C5_6 1.3900 .
C5_6 C6_6 1.3900 .
C5_6 H5_6 0.9500 .
C6_6 C7_6 1.3900 .
C6_6 C8_6 1.479(14) .
C7_6 H7_6 0.9500 .
C9_6 C10_6 1.57(3) .
C9_6 H9A_6 0.9900 .
C9_6 H9B_6 0.9900 .
C10_6 H10A_6 0.9800 .
C10_6 H10B_6 0.9800 .
C10_6 H10C_6 0.9800 .
O1_7 C1_7 1.302(14) .
O2_7 C1_7 1.203(14) .
O3_7 C8_7 1.225(13) .
O4_7 C8_7 1.277(13) .
O5_7 C4_7 1.372(14) .
O5_7 C9_7 1.410(15) .
C1_7 C2_7 1.501(16) .
C2_7 C7_7 1.343(17) .
C2_7 C3_7 1.425(16) .
C3_7 C4_7 1.398(15) .
C3_7 H3_7 0.9500 .
C4_7 C5_7 1.359(17) .
C5_7 C6_7 1.402(17) .
C5_7 H5_7 0.9500 .
C6_7 C7_7 1.360(15) .
C6_7 C8_7 1.520(18) .
C7_7 H7_7 0.9500 .
C9_7 C10_7 1.521(18) .
C9_7 H9A_7 0.9900 .
C9_7 H9B_7 0.9900 .
C10_7 H10A_7 0.9800 .
C10_7 H10B_7 0.9800 .
C10_7 H10C_7 0.9800 .
O1_8 C1_8 1.242(14) .
O2_8 C1_8 1.299(14) .
O3_8 C8_8 1.337(15) .
O4_8 C8_8 1.220(15) .
O5_8 C4_8 1.360(16) .
O5_8 C9_8 1.466(18) .
C1_8 C2_8 1.480(18) .
C2_8 C7_8 1.388(16) .
C2_8 C3_8 1.443(17) .
C3_8 C4_8 1.38(2) .
C3_8 H3_8 0.9500 .
C4_8 C5_8 1.428(18) .
C5_8 C6_8 1.358(17) .
C5_8 H5_8 0.9500 .
C6_8 C7_8 1.434(18) .
C6_8 C8_8 1.496(16) .
C7_8 H7_8 0.9500 .
C9_8 C10_8 1.61(3) .
C9_8 H9A_8 0.9900 .
C9_8 H9B_8 0.9900 .
C10_8 H10A_8 0.9800 .
C10_8 H10B_8 0.9800 .
C10_8 H10C_8 0.9800 .
O1_9 C1_9 1.243(16) .
O2_9 C1_9 1.246(15) .
O3_9 C8_9 1.282(16) .
O4_9 C8_9 1.285(15) .
O5_9 C4_9 1.379(17) .
O5_9 C9_9 1.51(2) .
C1_9 C2_9 1.531(17) .
C2_9 C3_9 1.357(18) .
C2_9 C7_9 1.422(16) .
C3_9 C4_9 1.379(18) .
C3_9 H3_9 0.9500 .
C4_9 C5_9 1.431(18) .
C5_9 C6_9 1.337(18) .
C5_9 H5_9 0.9500 .
C6_9 C7_9 1.360(16) .
C6_9 C8_9 1.503(16) .
C7_9 H7_9 0.9500 .
C9_9 C10_9 1.41(3) .
C9_9 H9A_9 0.9900 .
C9_9 H9B_9 0.9900 .
C10_9 H10A_9 0.9800 .
C10_9 H10B_9 0.9800 .
C10_9 H10C_9 0.9800 .
O1_10 C1_10 1.240(13) .
O2_10 C1_10 1.251(13) .
O3_10 C8_10 1.263(13) .
O4_10 C8_10 1.243(12) .
O5_10 C4_10 1.348(13) .
O5_10 C9_10 1.453(13) .
C1_10 C2_10 1.508(15) .
C2_10 C3_10 1.378(15) .
C2_10 C7_10 1.392(14) .
C3_10 C4_10 1.393(15) .
C3_10 H3_10 0.9500 .
C4_10 C5_10 1.377(15) .
C5_10 C6_10 1.360(15) .
C5_10 H5_10 0.9500 .
C6_10 C7_10 1.415(14) .
C6_10 C8_10 1.545(12) .
C7_10 H7_10 0.9500 .
C9_10 C10_10 1.37(2) .
C9_10 H9A_10 0.9900 .
C9_10 H9B_10 0.9900 .
O1_11 C1_11 1.310(15) .
O2_11 C1_11 1.249(14) .
O3_11 C8_11 1.247(14) .
O4_11 C8_11 1.254(13) .
O5_11 C4_11 1.341(15) .
O5_11 C9_11 1.414(14) .
C1_11 C2_11 1.526(16) .
C2_11 C3_11 1.353(17) .
C2_11 C7_11 1.366(16) .
C3_11 C4_11 1.424(16) .
C3_11 H3_11 0.9500 .
C4_11 C5_11 1.374(17) .
C5_11 C6_11 1.367(16) .
C5_11 H5_11 0.9500 .
C6_11 C7_11 1.349(15) .
C6_11 C8_11 1.526(17) .
C7_11 H7_11 0.9500 .
C9_11 C10_11 1.486(19) .
C9_11 H9A_11 0.9900 .
C9_11 H9B_11 0.9900 .
C10_11 H10A_11 0.9800 .
C10_11 H10B_11 0.9800 .
C10_11 H10C_11 0.9800 .
O1_12 C1_12 1.322(13) .
O2_12 C1_12 1.242(14) .
O3_12 C8_12 1.229(13) .
O4_12 C8_12 1.266(14) .
O5_12 C4_12 1.367(14) .
O5_12 C9_12 1.419(15) .
C1_12 C2_12 1.487(16) .
C2_12 C7_12 1.338(16) .
C2_12 C3_12 1.408(15) .
C3_12 C4_12 1.359(17) .
C3_12 H3_12 0.9500 .
C4_12 C5_12 1.371(17) .
C5_12 C6_12 1.382(15) .
C5_12 H5_12 0.9500 .
C6_12 C7_12 1.400(16) .
C6_12 C8_12 1.543(18) .
C7_12 H7_12 0.9500 .
C9_12 C10_12 1.42(2) .
C9_12 H9A_12 0.9900 .
C9_12 H9B_12 0.9900 .
C10_12 H10A_12 0.9800 .
C10_12 H10B_12 0.9800 .
C10_12 H10C_12 0.9800 .
O1_13 C1_13 1.330(17) .
N1_13 C1_13 1.293(18) .
N1_13 C3_13 1.45(2) .
N1_13 C2_13 1.47(2) .
C1_13 H1_13 0.9500 .
C3_13 H3A_13 0.9800 .
C3_13 H3B_13 0.9800 .
C3_13 H3C_13 0.9800 .
C2_13 H2A_13 0.9800 .
C2_13 H2B_13 0.9800 .
C2_13 H2C_13 0.9800 .
O1_14 C1_14 1.14(2) .
C3_14 N1_14 1.50(3) .
C3_14 H3A_14 0.9800 .
C3_14 H3B_14 0.9800 .
C3_14 H3C_14 0.9800 .
N1_14 C1_14 1.37(2) .
C1_14 H1_14 0.9500 .
O1_15 C1_15 1.233(14) .
N1_15 C1_15 1.313(15) .
N1_15 C2_15 1.467(16) .
N1_15 C3_15 1.503(18) .
C1_15 H1_15 0.9500 .
C2_15 H2A_15 0.9800 .
C2_15 H2B_15 0.9800 .
C2_15 H2C_15 0.9800 .
C3_15 H3A_15 0.9800 .
C3_15 H3B_15 0.9800 .
C3_15 H3C_15 0.9800 .
O1_16 C1_16 1.205(16) .
N1_16 C1_16 1.341(19) .
N1_16 C2_16 1.38(2) .
N1_16 C3_16 1.443(19) .
C1_16 H1_16 0.9500 .
C2_16 H2A_16 0.9500 .
C2_16 H2B_16 0.9500 .
C3_16 H3A_16 0.9800 .
C3_16 H3B_16 0.9800 .
C3_16 H3C_16 0.9800 .
O1_17 C1_17 1.245(15) .
N1_17 C1_17 1.325(16) .
N1_17 C2_17 1.449(19) .
N1_17 C3_17 1.475(19) .
C1_17 H1_17 0.9500 .
C2_17 H2A_17 0.9800 .
C2_17 H2B_17 0.9800 .
C2_17 H2C_17 0.9800 .
C3_17 H3A_17 0.9800 .
C3_17 H3B_17 0.9800 .
C3_17 H3C_17 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
Cu1 O1_1 C1_1 O2_1 -6.7(19) .
Cu1 O1_1 C1_1 C2_1 177.4(8) .
Cu2 O2_1 C1_1 O1_1 9.5(19) .
Cu2 O2_1 C1_1 C2_1 -174.7(8) .
O1_1 C1_1 C2_1 C7_1 -10.8(19) .
O2_1 C1_1 C2_1 C7_1 172.8(12) .
O1_1 C1_1 C2_1 C3_1 170.4(12) .
O2_1 C1_1 C2_1 C3_1 -6.0(19) .
C7_1 C2_1 C3_1 C4_1 -3(2) .
C1_1 C2_1 C3_1 C4_1 176.0(13) .
C9_1 O5_1 C4_1 C3_1 -33(2) .
C9_1 O5_1 C4_1 C5_1 152.5(15) .
C2_1 C3_1 C4_1 O5_1 -176.5(14) .
C2_1 C3_1 C4_1 C5_1 -2(2) .
O5_1 C4_1 C5_1 C6_1 178.1(14) .
C3_1 C4_1 C5_1 C6_1 3(2) .
C4_1 C5_1 C6_1 C7_1 0(2) .
C4_1 C5_1 C6_1 C8_1 178.1(14) .
C3_1 C2_1 C7_1 C6_1 7(2) .
C1_1 C2_1 C7_1 C6_1 -172.2(13) .
C5_1 C6_1 C7_1 C2_1 -5(2) .
C8_1 C6_1 C7_1 C2_1 177.0(13) .
Cu3 O3_1 C8_1 O4_1 3.3(19) .
Cu3 O3_1 C8_1 C6_1 -177.6(9) .
Cu4 O4_1 C8_1 O3_1 -1(2) .
Cu4 O4_1 C8_1 C6_1 -179.8(9) .
C5_1 C6_1 C8_1 O3_1 -172.1(14) .
C7_1 C6_1 C8_1 O3_1 6(2) .
C5_1 C6_1 C8_1 O4_1 7(2) .
C7_1 C6_1 C8_1 O4_1 -175.3(13) .
C4_1 O5_1 C9_1 C10_1 -74.2(17) .
Cu1 O1_2 C1_2 O2_2 3.0(15) .
Cu1 O1_2 C1_2 C2_2 -177.9(8) .
Cu2 O2_2 C1_2 O1_2 -1.2(15) .
Cu2 O2_2 C1_2 C2_2 179.6(8) .
O1_2 C1_2 C2_2 C7_2 16.5(17) .
O2_2 C1_2 C2_2 C7_2 -164.3(10) .
O1_2 C1_2 C2_2 C3_2 -163.9(11) .
O2_2 C1_2 C2_2 C3_2 15.2(17) .
C7_2 C2_2 C3_2 C4_2 1.1(18) .
C1_2 C2_2 C3_2 C4_2 -178.5(11) .
C9_2 O5_2 C4_2 C5_2 -5.5(19) .
C9_2 O5_2 C4_2 C3_2 173.2(12) .
C2_2 C3_2 C4_2 C5_2 -2.2(19) .
C2_2 C3_2 C4_2 O5_2 179.0(11) .
O5_2 C4_2 C5_2 C6_2 -179.4(12) .
C3_2 C4_2 C5_2 C6_2 2.0(19) .
C4_2 C5_2 C6_2 C7_2 -0.6(19) .
C4_2 C5_2 C6_2 C8_2 175.1(11) .
C3_2 C2_2 C7_2 C6_2 0.3(17) .
C1_2 C2_2 C7_2 C6_2 179.9(11) .
C5_2 C6_2 C7_2 C2_2 -0.5(17) .
C8_2 C6_2 C7_2 C2_2 -176.4(10) .
Cu11 O3_2 C8_2 O4_2 -1.8(18) .
Cu11 O3_2 C8_2 C6_2 -176.9(7) .
Cu12 O4_2 C8_2 O3_2 1.4(17) .
Cu12 O4_2 C8_2 C6_2 176.6(7) .
C5_2 C6_2 C8_2 O3_2 167.9(11) .
C7_2 C6_2 C8_2 O3_2 -16.4(16) .
C5_2 C6_2 C8_2 O4_2 -7.8(17) .
C7_2 C6_2 C8_2 O4_2 168.0(10) .
C4_2 O5_2 C9_2 C10_2 -179.7(11) .
Cu1 O1_3 C1_3 O2_3 -5(2) .
Cu1 O1_3 C1_3 C2_3 176.6(8) .
Cu2 O2_3 C1_3 O1_3 8(2) .
Cu2 O2_3 C1_3 C2_3 -173.7(9) .
O1_3 C1_3 C2_3 C7_3 -13.1(19) .
O2_3 C1_3 C2_3 C7_3 168.5(12) .
O1_3 C1_3 C2_3 C3_3 169.0(13) .
O2_3 C1_3 C2_3 C3_3 -9(2) .
C7_3 C2_3 C3_3 C4_3 -1(2) .
C1_3 C2_3 C3_3 C4_3 177.1(14) .
C2_3 C3_3 C4_3 C5_3 -2(3) .
C2_3 C3_3 C4_3 O5_3 -178.6(15) .
C9_3 O5_3 C4_3 C5_3 178.1(18) .
C9_3 O5_3 C4_3 C3_3 -5(3) .
C3_3 C4_3 C5_3 C6_3 3(3) .
O5_3 C4_3 C5_3 C6_3 179.9(15) .
C4_3 C5_3 C6_3 C7_3 -1(2) .
C4_3 C5_3 C6_3 C8_3 178.2(14) .
C3_3 C2_3 C7_3 C6_3 2(2) .
C1_3 C2_3 C7_3 C6_3 -175.6(12) .
C5_3 C6_3 C7_3 C2_3 -1(2) .
C8_3 C6_3 C7_3 C2_3 179.2(12) .
Cu7 O3_3 C8_3 O4_3 -1(2) 2_666
Cu7 O3_3 C8_3 C6_3 178.2(9) 2_666
Cu8 O4_3 C8_3 O3_3 2.0(19) 2_666
Cu8 O4_3 C8_3 C6_3 -176.8(9) 2_666
C7_3 C6_3 C8_3 O3_3 11(2) .
C5_3 C6_3 C8_3 O3_3 -168.5(13) .
C7_3 C6_3 C8_3 O4_3 -170.1(12) .
C5_3 C6_3 C8_3 O4_3 10(2) .
C4_3 O5_3 C9_3 C10_3 -165.3(18) .
Cu3 O1_4 C1_4 O2_4 -4.4(16) .
Cu3 O1_4 C1_4 C2_4 174.2(7) .
Cu4 O2_4 C1_4 O1_4 5.1(15) .
Cu4 O2_4 C1_4 C2_4 -173.6(7) .
O1_4 C1_4 C2_4 C3_4 -179.6(11) .
O2_4 C1_4 C2_4 C3_4 -0.9(17) .
O1_4 C1_4 C2_4 C7_4 -4.2(15) .
O2_4 C1_4 C2_4 C7_4 174.6(10) .
C7_4 C2_4 C3_4 C4_4 1(2) .
C1_4 C2_4 C3_4 C4_4 175.8(12) .
C9_4 O5_4 C4_4 C3_4 170.3(15) .
C9_4 O5_4 C4_4 C5_4 -3(2) .
C2_4 C3_4 C4_4 O5_4 -175.8(13) .
C2_4 C3_4 C4_4 C5_4 -2(2) .
O5_4 C4_4 C5_4 C6_4 177.4(14) .
C3_4 C4_4 C5_4 C6_4 4(2) .
C4_4 C5_4 C6_4 C7_4 -4.9(19) .
C4_4 C5_4 C6_4 C8_4 179.9(11) .
C5_4 C6_4 C7_4 C2_4 3.5(17) .
C8_4 C6_4 C7_4 C2_4 178.5(10) .
C3_4 C2_4 C7_4 C6_4 -1.2(18) .
C1_4 C2_4 C7_4 C6_4 -176.7(10) .
Cu6 O4_4 C8_4 O3_4 -2.3(18) .
Cu6 O4_4 C8_4 C6_4 176.3(7) .
Cu5 O3_4 C8_4 O4_4 4.6(17) .
Cu5 O3_4 C8_4 C6_4 -174.1(7) .
C5_4 C6_4 C8_4 O4_4 2.9(17) .
C7_4 C6_4 C8_4 O4_4 -172.4(11) .
C5_4 C6_4 C8_4 O3_4 -178.3(11) .
C7_4 C6_4 C8_4 O3_4 6.4(16) .
C4_4 O5_4 C9_4 C10_4 -164(2) .
Cu4 O2_5 C1_5 O1_5 -11(2) .
Cu4 O2_5 C1_5 C2_5 173.0(8) .
Cu3 O1_5 C1_5 O2_5 13(2) .
Cu3 O1_5 C1_5 C2_5 -171.3(9) .
O2_5 C1_5 C2_5 C3_5 -4(2) .
O1_5 C1_5 C2_5 C3_5 180.0(13) .
O2_5 C1_5 C2_5 C7_5 -176.9(12) .
O1_5 C1_5 C2_5 C7_5 6.6(19) .
C7_5 C2_5 C3_5 C4_5 2(2) .
C1_5 C2_5 C3_5 C4_5 -171.4(13) .
C2_5 C3_5 C4_5 C5_5 -3(2) .
C2_5 C3_5 C4_5 O5_5 179.0(12) .
C9_5 O5_5 C4_5 C5_5 10(2) .
C9_5 O5_5 C4_5 C3_5 -171.9(14) .
C3_5 C4_5 C5_5 C6_5 1(2) .
O5_5 C4_5 C5_5 C6_5 178.6(13) .
C4_5 C5_5 C6_5 C7_5 3(2) .
C4_5 C5_5 C6_5 C8_5 179.1(13) .
C5_5 C6_5 C7_5 C2_5 -4(2) .
C8_5 C6_5 C7_5 C2_5 179.6(12) .
C3_5 C2_5 C7_5 C6_5 2(2) .
C1_5 C2_5 C7_5 C6_5 175.5(12) .
Cu8 O4_5 C8_5 O3_5 3.9(19) .
Cu8 O4_5 C8_5 C6_5 -174.2(9) .
Cu7 O3_5 C8_5 O4_5 -7.2(19) .
Cu7 O3_5 C8_5 C6_5 170.9(9) .
C7_5 C6_5 C8_5 O4_5 178.3(13) .
C5_5 C6_5 C8_5 O4_5 2.2(19) .
C7_5 C6_5 C8_5 O3_5 0(2) .
C5_5 C6_5 C8_5 O3_5 -176.0(12) .
C4_5 O5_5 C9_5 C10_5 -179.0(15) .
Cu3 O1_6 C1_6 O2_6 -0.9(17) .
Cu3 O1_6 C1_6 C2_6 174.5(7) .
Cu4 O2_6 C1_6 O1_6 3.5(17) .
Cu4 O2_6 C1_6 C2_6 -172.0(7) .
O1_6 C1_6 C2_6 C3_6 172.9(9) .
O2_6 C1_6 C2_6 C3_6 -11.4(14) .
O1_6 C1_6 C2_6 C7_6 -5.0(15) .
O2_6 C1_6 C2_6 C7_6 170.8(8) .
C7_6 C2_6 C3_6 C4_6 0.0 .
C1_6 C2_6 C3_6 C4_6 -177.8(10) .
C9_6 O5_6 C4_6 C5_6 15(2) .
C9_6 O5_6 C4_6 C3_6 -157.4(14) .
C2_6 C3_6 C4_6 O5_6 173.1(15) .
C2_6 C3_6 C4_6 C5_6 0.0 .
O5_6 C4_6 C5_6 C6_6 -172.6(15) .
C3_6 C4_6 C5_6 C6_6 0.0 .
C4_6 C5_6 C6_6 C7_6 0.0 .
C4_6 C5_6 C6_6 C8_6 179.5(11) .
C5_6 C6_6 C7_6 C2_6 0.0 .
C8_6 C6_6 C7_6 C2_6 -179.5(10) .
C3_6 C2_6 C7_6 C6_6 0.0 .
C1_6 C2_6 C7_6 C6_6 177.9(10) .
Cu11 O3_6 C8_6 O4_6 3(2) .
Cu11 O3_6 C8_6 C6_6 -173.9(8) .
Cu12 O4_6 C8_6 O3_6 -4(2) .
Cu12 O4_6 C8_6 C6_6 172.7(8) .
C7_6 C6_6 C8_6 O3_6 7.7(16) .
C5_6 C6_6 C8_6 O3_6 -171.8(10) .
C7_6 C6_6 C8_6 O4_6 -169.3(9) .
C5_6 C6_6 C8_6 O4_6 11.2(15) .
C4_6 O5_6 C9_6 C10_6 70(2) .
Cu6 O2_7 C1_7 O1_7 8.9(18) .
Cu6 O2_7 C1_7 C2_7 -172.2(8) .
Cu5 O1_7 C1_7 O2_7 -7.2(17) .
Cu5 O1_7 C1_7 C2_7 173.8(7) .
O2_7 C1_7 C2_7 C7_7 179.4(12) .
O1_7 C1_7 C2_7 C7_7 -1.5(17) .
O2_7 C1_7 C2_7 C3_7 -0.5(17) .
O1_7 C1_7 C2_7 C3_7 178.5(10) .
C7_7 C2_7 C3_7 C4_7 -3.1(18) .
C1_7 C2_7 C3_7 C4_7 176.9(11) .
C9_7 O5_7 C4_7 C5_7 -174.5(12) .
C9_7 O5_7 C4_7 C3_7 7.2(18) .
C2_7 C3_7 C4_7 C5_7 3.2(19) .
C2_7 C3_7 C4_7 O5_7 -178.6(11) .
O5_7 C4_7 C5_7 C6_7 179.7(11) .
C3_7 C4_7 C5_7 C6_7 -2(2) .
C4_7 C5_7 C6_7 C7_7 0.7(19) .
C4_7 C5_7 C6_7 C8_7 -176.2(11) .
C3_7 C2_7 C7_7 C6_7 1.8(19) .
C1_7 C2_7 C7_7 C6_7 -178.1(11) .
C5_7 C6_7 C7_7 C2_7 -0.6(19) .
C8_7 C6_7 C7_7 C2_7 176.3(11) .
Cu7 O3_7 C8_7 O4_7 4.1(17) .
Cu7 O3_7 C8_7 C6_7 -171.7(7) .
Cu8 O4_7 C8_7 O3_7 -6.3(17) .
Cu8 O4_7 C8_7 C6_7 169.4(8) .
C7_7 C6_7 C8_7 O3_7 0.5(17) .
C5_7 C6_7 C8_7 O3_7 177.3(11) .
C7_7 C6_7 C8_7 O4_7 -175.6(11) .
C5_7 C6_7 C8_7 O4_7 1.2(17) .
C4_7 O5_7 C9_7 C10_7 -179.4(11) .
Cu7 O1_8 C1_8 O2_8 8.7(19) .
Cu7 O1_8 C1_8 C2_8 -176.7(8) .
Cu8 O2_8 C1_8 O1_8 -10.2(18) .
Cu8 O2_8 C1_8 C2_8 175.3(8) .
O1_8 C1_8 C2_8 C7_8 13.5(18) .
O2_8 C1_8 C2_8 C7_8 -171.5(11) .
O1_8 C1_8 C2_8 C3_8 -169.5(12) .
O2_8 C1_8 C2_8 C3_8 5.5(18) .
C7_8 C2_8 C3_8 C4_8 -4(2) .
C1_8 C2_8 C3_8 C4_8 179.1(13) .
C9_8 O5_8 C4_8 C3_8 29(2) .
C9_8 O5_8 C4_8 C5_8 -160.9(15) .
C2_8 C3_8 C4_8 O5_8 176.4(14) .
C2_8 C3_8 C4_8 C5_8 7(2) .
O5_8 C4_8 C5_8 C6_8 -177.4(14) .
C3_8 C4_8 C5_8 C6_8 -7(2) .
C4_8 C5_8 C6_8 C7_8 3(2) .
C4_8 C5_8 C6_8 C8_8 -177.2(13) .
C3_8 C2_8 C7_8 C6_8 0.6(19) .
C1_8 C2_8 C7_8 C6_8 177.5(11) .
C5_8 C6_8 C7_8 C2_8 -0.3(19) .
C8_8 C6_8 C7_8 C2_8 -179.7(11) .
Cu10 O4_8 C8_8 O3_8 1.4(18) .
Cu10 O4_8 C8_8 C6_8 -172.6(8) .
Cu9 O3_8 C8_8 O4_8 4.3(17) .
Cu9 O3_8 C8_8 C6_8 178.6(8) .
C5_8 C6_8 C8_8 O4_8 -9.4(19) .
C7_8 C6_8 C8_8 O4_8 169.9(11) .
C5_8 C6_8 C8_8 O3_8 175.7(12) .
C7_8 C6_8 C8_8 O3_8 -4.9(17) .
C4_8 O5_8 C9_8 C10_8 73(2) .
Cu9 O1_9 C1_9 O2_9 5.8(18) .
Cu9 O1_9 C1_9 C2_9 -172.5(7) .
Cu10 O2_9 C1_9 O1_9 -2.1(17) .
Cu10 O2_9 C1_9 C2_9 176.1(7) .
O1_9 C1_9 C2_9 C3_9 -178.3(11) .
O2_9 C1_9 C2_9 C3_9 3.2(16) .
O1_9 C1_9 C2_9 C7_9 4.0(16) .
O2_9 C1_9 C2_9 C7_9 -174.5(10) .
C7_9 C2_9 C3_9 C4_9 0.5(19) .
C1_9 C2_9 C3_9 C4_9 -177.2(11) .
C2_9 C3_9 C4_9 O5_9 176.3(12) .
C2_9 C3_9 C4_9 C5_9 -1.9(19) .
C9_9 O5_9 C4_9 C3_9 -13(2) .
C9_9 O5_9 C4_9 C5_9 165.6(13) .
C3_9 C4_9 C5_9 C6_9 2(2) .
O5_9 C4_9 C5_9 C6_9 -176.6(12) .
C4_9 C5_9 C6_9 C7_9 0(2) .
C4_9 C5_9 C6_9 C8_9 174.6(11) .
C5_9 C6_9 C7_9 C2_9 -1.3(17) .
C8_9 C6_9 C7_9 C2_9 -176.1(10) .
C3_9 C2_9 C7_9 C6_9 1.2(17) .
C1_9 C2_9 C7_9 C6_9 178.8(10) .
Cu11 O3_9 C8_9 O4_9 -12.0(17) .
Cu11 O3_9 C8_9 C6_9 173.7(7) .
Cu12 O4_9 C8_9 O3_9 11.3(17) .
Cu12 O4_9 C8_9 C6_9 -174.4(7) .
C5_9 C6_9 C8_9 O3_9 176.1(11) .
C7_9 C6_9 C8_9 O3_9 -9.0(16) .
C5_9 C6_9 C8_9 O4_9 1.2(17) .
C7_9 C6_9 C8_9 O4_9 176.0(10) .
C4_9 O5_9 C9_9 C10_9 -167.8(15) .
Cu9 O1_10 C1_10 O2_10 -1.9(17) .
Cu9 O1_10 C1_10 C2_10 -179.6(7) .
Cu10 O2_10 C1_10 O1_10 7.9(16) .
Cu10 O2_10 C1_10 C2_10 -174.4(7) .
O1_10 C1_10 C2_10 C3_10 178.3(10) .
O2_10 C1_10 C2_10 C3_10 0.4(16) .
O1_10 C1_10 C2_10 C7_10 -6.9(15) .
O2_10 C1_10 C2_10 C7_10 175.2(10) .
C7_10 C2_10 C3_10 C4_10 1.2(17) .
C1_10 C2_10 C3_10 C4_10 175.7(10) .
C9_10 O5_10 C4_10 C5_10 4.9(19) .
C9_10 O5_10 C4_10 C3_10 -173.5(11) .
C2_10 C3_10 C4_10 O5_10 176.9(11) .
C2_10 C3_10 C4_10 C5_10 -1.6(18) .
O5_10 C4_10 C5_10 C6_10 -177.8(11) .
C3_10 C4_10 C5_10 C6_10 0.6(18) .
C4_10 C5_10 C6_10 C7_10 0.9(18) .
C4_10 C5_10 C6_10 C8_10 -179.0(10) .
C3_10 C2_10 C7_10 C6_10 0.3(16) .
C1_10 C2_10 C7_10 C6_10 -174.4(10) .
C5_10 C6_10 C7_10 C2_10 -1.3(16) .
C8_10 C6_10 C7_10 C2_10 178.6(9) .
Cu6 O4_10 C8_10 O3_10 -6.8(16) 2_666
Cu6 O4_10 C8_10 C6_10 173.5(7) 2_666
Cu5 O3_10 C8_10 O4_10 3.4(16) 2_666
Cu5 O3_10 C8_10 C6_10 -177.0(7) 2_666
C5_10 C6_10 C8_10 O4_10 4.8(16) .
C7_10 C6_10 C8_10 O4_10 -175.1(10) .
C5_10 C6_10 C8_10 O3_10 -174.9(10) .
C7_10 C6_10 C8_10 O3_10 5.2(15) .
C4_10 O5_10 C9_10 C10_10 166.8(17) .
Cu12 O2_11 C1_11 O1_11 -5.2(16) .
Cu12 O2_11 C1_11 C2_11 177.2(7) .
Cu11 O1_11 C1_11 O2_11 5.4(15) .
Cu11 O1_11 C1_11 C2_11 -176.9(7) .
O2_11 C1_11 C2_11 C3_11 8.0(16) .
O1_11 C1_11 C2_11 C3_11 -169.9(10) .
O2_11 C1_11 C2_11 C7_11 -174.3(10) .
O1_11 C1_11 C2_11 C7_11 7.9(16) .
C7_11 C2_11 C3_11 C4_11 6.6(18) .
C1_11 C2_11 C3_11 C4_11 -175.6(10) .
C9_11 O5_11 C4_11 C5_11 -6.1(18) .
C9_11 O5_11 C4_11 C3_11 169.9(10) .
C2_11 C3_11 C4_11 O5_11 -178.9(11) .
C2_11 C3_11 C4_11 C5_11 -2.5(17) .
O5_11 C4_11 C5_11 C6_11 173.7(11) .
C3_11 C4_11 C5_11 C6_11 -2.3(17) .
C4_11 C5_11 C6_11 C7_11 3.1(17) .
C4_11 C5_11 C6_11 C8_11 179.7(10) .
C5_11 C6_11 C7_11 C2_11 1.1(17) .
C8_11 C6_11 C7_11 C2_11 -175.7(10) .
C3_11 C2_11 C7_11 C6_11 -5.9(17) .
C1_11 C2_11 C7_11 C6_11 176.3(10) .
Cu5 O3_11 C8_11 O4_11 -3.2(16) 2_666
Cu5 O3_11 C8_11 C6_11 177.9(7) 2_666
Cu6 O4_11 C8_11 O3_11 5.6(16) 2_666
Cu6 O4_11 C8_11 C6_11 -175.5(6) 2_666
C7_11 C6_11 C8_11 O3_11 -7.6(15) .
C5_11 C6_11 C8_11 O3_11 175.6(10) .
C7_11 C6_11 C8_11 O4_11 173.4(10) .
C5_11 C6_11 C8_11 O4_11 -3.3(15) .
C4_11 O5_11 C9_11 C10_11 -175.5(12) .
Cu10 O2_12 C1_12 O1_12 0.9(15) .
Cu10 O2_12 C1_12 C2_12 174.8(7) .
Cu9 O1_12 C1_12 O2_12 2.0(15) .
Cu9 O1_12 C1_12 C2_12 -172.3(7) .
O2_12 C1_12 C2_12 C7_12 -170.4(10) .
O1_12 C1_12 C2_12 C7_12 4.0(15) .
O2_12 C1_12 C2_12 C3_12 7.7(16) .
O1_12 C1_12 C2_12 C3_12 -177.8(10) .
C7_12 C2_12 C3_12 C4_12 3.4(18) .
C1_12 C2_12 C3_12 C4_12 -174.8(11) .
C2_12 C3_12 C4_12 O5_12 -179.8(11) .
C2_12 C3_12 C4_12 C5_12 -0.9(19) .
C9_12 O5_12 C4_12 C3_12 -165.3(12) .
C9_12 O5_12 C4_12 C5_12 15.9(19) .
C3_12 C4_12 C5_12 C6_12 -1.4(19) .
O5_12 C4_12 C5_12 C6_12 177.3(11) .
C4_12 C5_12 C6_12 C7_12 1.4(18) .
C4_12 C5_12 C6_12 C8_12 179.6(11) .
C3_12 C2_12 C7_12 C6_12 -3.4(17) .
C1_12 C2_12 C7_12 C6_12 174.7(10) .
C5_12 C6_12 C7_12 C2_12 1.0(18) .
C8_12 C6_12 C7_12 C2_12 -177.2(10) .
Cu1 O3_12 C8_12 O4_12 -8.1(18) 2_666
Cu1 O3_12 C8_12 C6_12 174.9(7) 2_666
Cu2 O4_12 C8_12 O3_12 3.9(17) 2_666
Cu2 O4_12 C8_12 C6_12 -179.0(7) 2_666
C5_12 C6_12 C8_12 O3_12 176.1(11) .
C7_12 C6_12 C8_12 O3_12 -5.6(16) .
C5_12 C6_12 C8_12 O4_12 -1.3(16) .
C7_12 C6_12 C8_12 O4_12 177.0(10) .
C4_12 O5_12 C9_12 C10_12 170.7(18) .
C3_13 N1_13 C1_13 O1_13 178.0(12) .
C2_13 N1_13 C1_13 O1_13 2(2) .
Cu2 O1_13 C1_13 N1_13 89.3(14) .
Cu4 O1_14 C1_14 N1_14 167.5(19) .
C3_14 N1_14 C1_14 O1_14 172(3) .
Cu6 O1_15 C1_15 N1_15 -177.8(11) .
C2_15 N1_15 C1_15 O1_15 -3(2) .
C3_15 N1_15 C1_15 O1_15 -179.1(15) .
Cu8 O1_16 C1_16 N1_16 -80.8(19) .
C2_16 N1_16 C1_16 O1_16 6(3) .
C3_16 N1_16 C1_16 O1_16 -178.2(14) .
Cu10 O1_17 C1_17 N1_17 168.3(11) .
C2_17 N1_17 C1_17 O1_17 -7(2) .
C3_17 N1_17 C1_17 O1_17 179.7(15) .
