# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
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data_eric340
_database_code_depnum_ccdc_archive 'CCDC 2018425'
loop_
_audit_author_name
_audit_author_address
'Glenn Yap'
;University of Delaware
United States of America
;
_audit_update_record             
;
2020-07-23 deposited with the CCDC.	2020-10-19 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_THETM01_eric340             
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: As in similar MOFs, this compound consistently deposits
as weakly diffracting crystals.
;
_vrf_PLAT220_eric340             
;
PROBLEM: NonSolvent   Resd 1  C   Ueq(max)/Ueq(min) Range        6.2 Ratio 
RESPONSE: Unmodelable disorder increases the range of Ueq.
;
_vrf_PLAT315_eric340             
;
PROBLEM: Singly Bonded Carbon Detected (H-atoms Missing).       C9_2 Check 
RESPONSE: This is the last C-atom that could be modeled on a 
disordered C6 alkyl chain.
;
_vrf_PLAT341_eric340             
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.01768 Ang.  
RESPONSE: Low resolution data yield low precision structures.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
; 
C264 H184 Cu24 N4 O144, 8[C6H13], 8[C5H11], 4[C4H9], 20[C3H7N] 
;
_chemical_formula_sum            'C428 H552 Cu24 N24 O144'
_chemical_formula_weight         9861.86

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'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 2/m'
_space_group_name_Hall           '-C 2y'

_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'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'

_cell_length_a                   34.0993(15)
_cell_length_b                   34.2455(15)
_cell_length_c                   23.9647(11)
_cell_angle_alpha                90
_cell_angle_beta                 113.073(2)
_cell_angle_gamma                90
_cell_volume                     25746(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9878
_cell_measurement_theta_min      2.74
_cell_measurement_theta_max      50.42

_exptl_crystal_description       Block
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.272
_exptl_crystal_F_000             10272
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.172
_exptl_crystal_size_mid          0.163
_exptl_crystal_size_min          0.147
_exptl_absorpt_coefficient_mu    1.694
_shelx_estimated_absorpt_T_min   0.759
_shelx_estimated_absorpt_T_max   0.789
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6057
_exptl_absorpt_correction_T_max  0.7500
_exptl_absorpt_process_details   
; 
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550 
RESPONSE: As in similar MOFs, this compound consistently deposits 
as weakly diffracting crystals. 
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker AXS APEX diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.33
_diffrn_reflns_number            84550
_diffrn_reflns_av_unetI/netI     0.0498
_diffrn_reflns_av_R_equivalents  0.0753
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.004
_diffrn_reflns_theta_max         50.576
_diffrn_reflns_theta_full        50.576
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             13747
_reflns_number_gt                8542
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 Structure factors included contributions from the .fab file. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1658P)²+169.2353P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13747
_refine_ls_number_parameters     994
_refine_ls_number_restraints     1677
_refine_ls_R_factor_all          0.1244
_refine_ls_R_factor_gt           0.0870
_refine_ls_wR_factor_ref         0.2950
_refine_ls_wR_factor_gt          0.2348
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.002
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.53791(6) 0.500000 0.19836(8) 0.0637(5) Uani 1 2 d S TU P . .
Cu2 Cu 0.55224(6) 0.500000 0.09882(8) 0.0601(5) Uani 1 2 d S TU P . .
Cu3 Cu 0.38899(4) 0.33415(4) 0.24835(7) 0.0750(5) Uani 1 1 d . U . . .
Cu4 Cu 0.35339(5) 0.28040(4) 0.16427(6) 0.0754(5) Uani 1 1 d . U . . .
Cu5 Cu 0.24704(7) 0.500000 0.31226(11) 0.0832(6) Uani 1 2 d S TU P . .
Cu6 Cu 0.16340(7) 0.500000 0.25159(11) 0.0881(7) Uani 1 2 d S TU P . .
Cu7 Cu 0.35776(5) 0.33149(4) 0.55690(6) 0.0766(5) Uani 1 1 d . U . . .
Cu8 Cu 0.31026(5) 0.27724(4) 0.57834(6) 0.0764(5) Uani 1 1 d . U . . .
O1 O 0.5265(4) 0.500000 0.2803(5) 0.138(5) Uani 1 2 d S T P . .
O3 O 0.4165(4) 0.3772(3) 0.3189(5) 0.174(5) Uani 1 1 d . . . . .
O4 O 0.3222(3) 0.2386(2) 0.0920(4) 0.116(3) Uani 1 1 d . . . . .
O5 O 0.3148(4) 0.500000 0.3592(7) 0.189(8) Uani 1 2 d S T P . .
O6 O 0.0950(4) 0.500000 0.2009(6) 0.131(4) Uani 1 2 d S T P . .
O7 O 0.3948(4) 0.3756(3) 0.5364(7) 0.178(5) Uani 1 1 d . . . . .
O1_1 O 0.4960(2) 0.45950(18) 0.1573(3) 0.0802(18) Uani 1 1 d . U . . .
O2_1 O 0.5083(2) 0.45984(17) 0.0725(3) 0.0729(17) Uani 1 1 d . U . . .
O3_1 O 0.4025(2) 0.36040(18) 0.1862(3) 0.0803(18) Uani 1 1 d . U . . .
O4_1 O 0.3727(2) 0.3142(2) 0.1142(3) 0.0844(19) Uani 1 1 d . U . . .
O5_1 O 0.4142(2) 0.3503(2) -0.0539(3) 0.0844(19) Uani 1 1 d . U . . .
C1_1 C 0.4921(3) 0.4471(2) 0.1074(4) 0.058(2) Uani 1 1 d D U . . .
C2_1 C 0.4399(3) 0.3977(2) 0.1163(4) 0.063(2) Uani 1 1 d . U . . .
H2_1 H 0.445355 0.408075 0.155425 0.075 Uiso 1 1 calc R U . . .
C3_1 C 0.4590(3) 0.4141(2) 0.0806(4) 0.063(2) Uani 1 1 d D U . . .
C4_1 C 0.4500(3) 0.3995(2) 0.0223(4) 0.059(2) Uani 1 1 d . U . . .
H4_1 H 0.462449 0.411399 -0.002624 0.070 Uiso 1 1 calc R U . . .
C5_1 C 0.4234(3) 0.3681(3) 0.0010(4) 0.068(2) Uani 1 1 d . U . . .
C6_1 C 0.4043(3) 0.3512(3) 0.0381(4) 0.071(2) Uani 1 1 d . U . . .
H6_1 H 0.385587 0.329574 0.023397 0.085 Uiso 1 1 calc R U . . .
C7_1 C 0.4125(3) 0.3656(3) 0.0948(4) 0.070(2) Uani 1 1 d D U . . .
C8_1 C 0.3953(3) 0.3440(3) 0.1367(4) 0.068(2) Uani 1 1 d D U . . .
C9_1 C 0.4411(4) 0.3596(3) -0.0858(5) 0.097(3) Uani 1 1 d D U . . .
H9A_1 H 0.471414 0.356787 -0.058001 0.117 Uiso 1 1 calc R U . . .
H9B_1 H 0.436353 0.387099 -0.099696 0.117 Uiso 1 1 calc R U . . .
C10_1 C 0.4314(5) 0.3325(3) -0.1406(6) 0.121(4) Uani 1 1 d D U . . .
H10A_1 H 0.400334 0.332256 -0.164918 0.146 Uiso 1 1 calc R U . . .
H10B_1 H 0.445607 0.342766 -0.166639 0.146 Uiso 1 1 calc R U . . .
C11_1 C 0.4467(5) 0.2910(4) -0.1212(8) 0.155(5) Uani 1 1 d D U . . .
H11A_1 H 0.433243 0.273094 -0.155868 0.186 Uiso 1 1 calc R U . . .
H11B_1 H 0.437870 0.282918 -0.088215 0.186 Uiso 1 1 calc R U . . .
C12_1 C 0.4957(6) 0.2880(6) -0.0989(11) 0.203(7) Uani 1 1 d D U . . .
H12A_1 H 0.505158 0.298640 -0.130047 0.244 Uiso 1 1 calc R U . . .
H12B_1 H 0.509493 0.303386 -0.061221 0.244 Uiso 1 1 calc R U . . .
C13_1 C 0.5083(7) 0.2455(6) -0.0871(12) 0.223(8) Uani 1 1 d D U . . .
H13A_1 H 0.494841 0.233290 -0.061559 0.268 Uiso 1 1 calc R U . . .
H13B_1 H 0.499698 0.230806 -0.125656 0.268 Uiso 1 1 calc R U . . .
C14_1 C 0.5555(7) 0.2459(8) -0.0549(12) 0.237(10) Uani 1 1 d D U . . .
H14A_1 H 0.566083 0.219112 -0.045680 0.356 Uiso 1 1 calc R U . . .
H14B_1 H 0.568234 0.258290 -0.080774 0.356 Uiso 1 1 calc R U . . .
H14C_1 H 0.563408 0.260758 -0.017080 0.356 Uiso 1 1 calc R U . . .
O1_2 O 0.3320(2) 0.35760(19) 0.2162(3) 0.0845(19) Uani 1 1 d . U . . .
O2_2 O 0.3011(2) 0.3127(2) 0.1437(3) 0.0857(19) Uani 1 1 d . U . . .
O3_2 O 0.2465(2) 0.4597(2) 0.2544(4) 0.095(2) Uani 1 1 d . U . . .
O4_2 O 0.1748(2) 0.4601(2) 0.2019(4) 0.104(2) Uani 1 1 d . U . . .
O5_2 O 0.1523(4) 0.3626(4) 0.0368(8) 0.233(7) Uani 1 1 d . U . . .
C1_2 C 0.3019(3) 0.3426(3) 0.1757(5) 0.083(3) Uani 1 1 d D U . . .
C2_2 C 0.2554(4) 0.3950(3) 0.1898(5) 0.088(3) Uani 1 1 d . U . . .
H2_2 H 0.279658 0.403441 0.223783 0.106 Uiso 1 1 calc R U . . .
C3_2 C 0.2590(3) 0.3640(3) 0.1551(5) 0.092(3) Uani 1 1 d D U . . .
C4_2 C 0.2251(4) 0.3522(4) 0.1055(7) 0.128(4) Uani 1 1 d . U . . .
H4_2 H 0.227900 0.330735 0.082212 0.153 Uiso 1 1 calc R U . . .
C5_2 C 0.1853(5) 0.3719(5) 0.0883(9) 0.160(5) Uani 1 1 d . U . . .
C6_2 C 0.1817(4) 0.4023(4) 0.1253(8) 0.135(5) Uani 1 1 d . U . . .
H6_2 H 0.155031 0.414791 0.115770 0.162 Uiso 1 1 calc R U . . .
C7_2 C 0.2162(4) 0.4140(3) 0.1749(6) 0.096(3) Uani 1 1 d D U . . .
C8_2 C 0.2127(4) 0.4468(3) 0.2159(5) 0.083(3) Uani 1 1 d D U . . .
C9_2 C 0.1555(11) 0.3436(12) -0.0200(19) 0.359(17) Uani 1 1 d . U . . .
O1_3 O 0.3716(2) 0.2998(2) 0.2994(3) 0.0859(19) Uani 1 1 d . U . . .
O2_3 O 0.3407(2) 0.25381(19) 0.2284(3) 0.0799(18) Uani 1 1 d . U . . .
O3_3 O 0.3527(2) 0.2982(2) 0.4884(3) 0.089(2) Uani 1 1 d . U . . .
O4_3 O 0.3146(2) 0.25148(18) 0.5084(3) 0.0774(17) Uani 1 1 d . U . . .
O5_3 O 0.2921(3) 0.1539(2) 0.3377(4) 0.107(2) Uani 1 1 d . U . . .
C1_3 C 0.3498(3) 0.2696(3) 0.2787(4) 0.069(2) Uani 1 1 d D U . . .
C2_3 C 0.3424(3) 0.2643(3) 0.3780(5) 0.073(3) Uani 1 1 d . U . . .
H2_3 H 0.355853 0.289149 0.387660 0.088 Uiso 1 1 calc R U . . .
C3_3 C 0.3373(3) 0.2467(3) 0.3240(4) 0.071(2) Uani 1 1 d D U . . .
C4_3 C 0.3196(3) 0.2098(3) 0.3116(4) 0.075(3) Uani 1 1 d . U . . .
H4_3 H 0.316496 0.197423 0.274580 0.090 Uiso 1 1 calc R U . . .
C5_3 C 0.3065(3) 0.1904(3) 0.3515(5) 0.079(3) Uani 1 1 d . U . . .
C6_3 C 0.3105(3) 0.2098(3) 0.4058(5) 0.080(3) Uani 1 1 d . U . . .
H6_3 H 0.300763 0.197148 0.433265 0.096 Uiso 1 1 calc R U . . .
C7_3 C 0.3280(3) 0.2462(3) 0.4195(4) 0.073(2) Uani 1 1 d D U . . .
C8_3 C 0.3314(3) 0.2683(3) 0.4769(4) 0.067(2) Uani 1 1 d D U . . .
C9_3 C 0.2861(5) 0.1296(3) 0.3823(7) 0.124(4) Uani 1 1 d . U . . .
H9A_3 H 0.259460 0.136788 0.387062 0.148 Uiso 1 1 calc R U . . .
H9B_3 H 0.310248 0.132747 0.422014 0.148 Uiso 1 1 calc R U . . .
C10_3 C 0.2837(9) 0.0870(6) 0.3602(11) 0.235(10) Uani 1 1 d . U . . .
O1_4 O 0.2360(2) 0.45988(18) 0.3617(3) 0.0877(19) Uani 1 1 d . U . . .
O2_4 O 0.1642(2) 0.4596(2) 0.3090(4) 0.095(2) Uani 1 1 d . U . . .
O3_4 O 0.3037(2) 0.35546(19) 0.5069(3) 0.0858(19) Uani 1 1 d . U . . .
O4_4 O 0.2627(2) 0.3090(2) 0.5246(3) 0.0868(19) Uani 1 1 d . U . . .
O5_4 O 0.1113(2) 0.3560(2) 0.4063(5) 0.120(3) Uani 1 1 d . U . . .
C1_4 C 0.1986(4) 0.4468(2) 0.3487(5) 0.076(3) Uani 1 1 d D U . . .
C2_4 C 0.2321(3) 0.3944(3) 0.4284(5) 0.077(3) Uani 1 1 d . U . . .
H2_4 H 0.259410 0.404347 0.434301 0.092 Uiso 1 1 calc R U . . .
C3_4 C 0.1952(3) 0.4133(3) 0.3887(5) 0.078(3) Uani 1 1 d D U . . .
C4_4 C 0.1554(4) 0.3995(3) 0.3811(6) 0.091(3) Uani 1 1 d . U . . .
H4_4 H 0.130429 0.412077 0.353823 0.109 Uiso 1 1 calc R U . . .
C5_4 C 0.1519(4) 0.3659(3) 0.4147(6) 0.090(3) Uani 1 1 d . U . . .
C6_4 C 0.1881(3) 0.3466(3) 0.4510(5) 0.075(3) Uani 1 1 d . U . . .
H6_4 H 0.185790 0.323213 0.470654 0.090 Uiso 1 1 calc R U . . .
C7_4 C 0.2283(3) 0.3608(3) 0.4593(4) 0.073(2) Uani 1 1 d D U . . .
C8_4 C 0.2683(3) 0.3390(3) 0.5000(4) 0.070(2) Uani 1 1 d D U . . .
C9_4 C 0.1065(4) 0.3267(4) 0.4439(8) 0.135(4) Uani 1 1 d . U . . .
H9A_4 H 0.124451 0.332675 0.486821 0.162 Uiso 1 1 calc R U . . .
H9B_4 H 0.115689 0.301283 0.433536 0.162 Uiso 1 1 calc R U . . .
C10_4 C 0.0604(5) 0.3247(5) 0.4352(10) 0.183(6) Uani 1 1 d . U . . .
H10A_4 H 0.043545 0.312327 0.395666 0.220 Uiso 1 1 calc R U . . .
H10B_4 H 0.049246 0.351432 0.434872 0.220 Uiso 1 1 calc R U . . .
C11_4 C 0.0554(9) 0.2993(9) 0.4900(19) 0.308(13) Uani 1 1 d . U . . .
O1_5 O 0.3538(2) 0.35587(18) 0.6275(3) 0.0822(19) Uani 1 1 d . U . . .
O2_5 O 0.3127(2) 0.3104(2) 0.6447(3) 0.096(2) Uani 1 1 d . U . . .
O3_5 O 0.4176(2) 0.45972(18) 0.7759(3) 0.0789(18) Uani 1 1 d . U . . .
O4_5 O 0.4057(2) 0.46010(19) 0.8608(3) 0.0848(19) Uani 1 1 d . U . . .
O5_5 O 0.2921(3) 0.3585(3) 0.8281(4) 0.142(3) Uani 1 1 d . U . . .
C1_5 C 0.3360(3) 0.3403(3) 0.6589(4) 0.074(3) Uani 1 1 d D U . . .
C2_5 C 0.3636(3) 0.3959(3) 0.7324(4) 0.075(3) Uani 1 1 d . U . . .
H2_5 H 0.379534 0.404344 0.709806 0.090 Uiso 1 1 calc R U . . .
C3_5 C 0.3364(3) 0.3643(3) 0.7125(4) 0.077(3) Uani 1 1 d D U . . .
C4_5 C 0.3131(4) 0.3523(4) 0.7453(5) 0.104(3) Uani 1 1 d . U . . .
H4_5 H 0.294668 0.330441 0.731637 0.124 Uiso 1 1 calc R U . . .
C5_5 C 0.3160(4) 0.3717(4) 0.7983(5) 0.103(3) Uani 1 1 d . U . . .
C6_5 C 0.3430(4) 0.4034(3) 0.8172(5) 0.089(3) Uani 1 1 d . U . . .
H6_5 H 0.345017 0.417352 0.852455 0.107 Uiso 1 1 calc R U . . .
C7_5 C 0.3677(3) 0.4154(3) 0.7848(4) 0.071(2) Uani 1 1 d D U . . .
C8_5 C 0.4012(3) 0.4475(2) 0.8109(4) 0.060(2) Uani 1 1 d D U . . .
C9_5 C 0.2916(6) 0.3784(6) 0.8786(9) 0.194(6) Uani 1 1 d . U . . .
H9A_5 H 0.278899 0.404570 0.866004 0.233 Uiso 1 1 calc R U . . .
H9B_5 H 0.321295 0.382045 0.908245 0.233 Uiso 1 1 calc R U . . .
C10_5 C 0.2677(10) 0.3576(9) 0.9075(16) 0.289(12) Uani 1 1 d . U . . .
O1_6 O 0.4062(2) 0.3000(2) 0.6112(3) 0.092(2) Uani 1 1 d . U . . .
O2_6 O 0.3651(2) 0.2556(2) 0.6296(3) 0.100(2) Uani 1 1 d . U . . .
O3_6 O 0.5596(2) 0.3030(2) 0.7314(3) 0.089(2) Uani 1 1 d . U . . .
O4_6 O 0.5898(2) 0.2566(2) 0.8025(3) 0.089(2) Uani 1 1 d . U . . .
O5_6 O 0.4702(4) 0.1644(4) 0.7790(6) 0.194(5) Uani 1 1 d . U . . .
C1_6 C 0.4000(3) 0.2715(3) 0.6376(4) 0.077(3) Uani 1 1 d D U . . .
C2_6 C 0.4807(4) 0.2687(3) 0.6990(5) 0.084(3) Uani 1 1 d . U . . .
H2_6 H 0.483518 0.292133 0.679814 0.100 Uiso 1 1 calc R U . . .
C3_6 C 0.4399(3) 0.2517(3) 0.6829(5) 0.091(3) Uani 1 1 d D U . . .
C4_6 C 0.4375(4) 0.2166(4) 0.7109(6) 0.113(4) Uani 1 1 d . U . . .
H4_6 H 0.410642 0.204446 0.701842 0.135 Uiso 1 1 calc R U . . .
C5_6 C 0.4742(5) 0.1997(4) 0.7517(7) 0.125(4) Uani 1 1 d . U . . .
C6_6 C 0.5138(4) 0.2176(4) 0.7681(6) 0.114(4) Uani 1 1 d . U . . .
H6_6 H 0.538631 0.205813 0.797277 0.136 Uiso 1 1 calc R U . . .
C7_6 C 0.5166(3) 0.2517(3) 0.7422(5) 0.084(3) Uani 1 1 d D U . . .
C8_6 C 0.5593(3) 0.2721(3) 0.7624(5) 0.073(2) Uani 1 1 d D U . . .
C10_6 C 0.4300(10) 0.1379(11) 0.7682(17) 0.337(16) Uani 1 1 d . U . . .
O1_7 O 0.2758(3) 0.2321(2) 0.6030(4) 0.101(2) Uani 1 1 d . U . . .
N1_7 N 0.2870(7) 0.1867(6) 0.6875(9) 0.235(7) Uani 1 1 d . U . . .
C1_7 C 0.2952(7) 0.2147(6) 0.6558(11) 0.201(7) Uani 1 1 d . U . . .
H1_7 H 0.322738 0.225459 0.677120 0.241 Uiso 1 1 calc R U . . .
C2_7 C 0.2455(7) 0.1721(5) 0.6665(9) 0.179(7) Uani 1 1 d . U . . .
H2A_7 H 0.243821 0.151626 0.693961 0.269 Uiso 1 1 calc R U . . .
H2B_7 H 0.225804 0.193296 0.665012 0.269 Uiso 1 1 calc R U . . .
H2C_7 H 0.237853 0.161252 0.625755 0.269 Uiso 1 1 calc R U . . .
C3_7 C 0.3184(10) 0.1584(9) 0.7406(13) 0.284(13) Uani 1 1 d . U . . .
H3A_7 H 0.301281 0.140761 0.754207 0.426 Uiso 1 1 calc R U . . .
H3B_7 H 0.336075 0.143087 0.724888 0.426 Uiso 1 1 calc R U . . .
H3C_7 H 0.336752 0.174340 0.774905 0.426 Uiso 1 1 calc R U . . .
O1_8 O 0.5659(3) 0.500000 0.0183(4) 0.068(2) Uani 1 2 d S T P . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 1.958(7) . ?
Cu1 O1_1 1.958(7) 6_565 ?
Cu1 O3_5 1.962(6) 5_666 ?
Cu1 O3_5 1.962(6) 2_656 ?
Cu1 O1 2.147(10) . ?
Cu1 Cu2 2.616(2) . ?
Cu2 O4_5 1.943(7) 5_666 ?
Cu2 O4_5 1.943(7) 2_656 ?
Cu2 O2_1 1.948(6) . ?
Cu2 O2_1 1.948(6) 6_565 ?
Cu2 O1_8 2.155(8) . ?
Cu3 O3_1 1.943(6) . ?
Cu3 O3_6 1.943(7) 2_656 ?
Cu3 O1_3 1.948(7) . ?
Cu3 O1_2 1.959(7) . ?
Cu3 O3 2.160(9) . ?
Cu3 Cu4 2.6464(19) . ?
Cu4 O4_1 1.958(6) . ?
Cu4 O4_6 1.960(8) 2_656 ?
Cu4 O2_3 1.974(6) . ?
Cu4 O2_2 1.989(7) . ?
Cu4 O4 2.177(8) . ?
Cu5 O1_4 1.945(7) 6_565 ?
Cu5 O1_4 1.945(7) . ?
Cu5 O3_2 1.951(8) . ?
Cu5 O3_2 1.951(8) 6_565 ?
Cu5 O5 2.137(14) . ?
Cu5 Cu6 2.645(3) . ?
Cu6 O2_4 1.945(7) 6_565 ?
Cu6 O2_4 1.945(7) . ?
Cu6 O4_2 1.950(8) . ?
Cu6 O4_2 1.950(8) 6_565 ?
Cu6 O6 2.166(12) . ?
Cu7 O1_5 1.939(6) . ?
Cu7 O3_4 1.943(7) . ?
Cu7 O3_3 1.950(7) . ?
Cu7 O1_6 1.976(8) . ?
Cu7 O7 2.147(8) . ?
Cu7 Cu8 2.6439(18) . ?
Cu8 O2_5 1.929(7) . ?
Cu8 O2_6 1.938(8) . ?
Cu8 O4_3 1.952(6) . ?
Cu8 O4_4 1.957(8) . ?
Cu8 O1_7 2.159(7) . ?
O1_1 C1_1 1.226(9) . ?
O2_1 C1_1 1.248(9) . ?
O3_1 C8_1 1.246(10) . ?
O4_1 C8_1 1.263(10) . ?
O5_1 C5_1 1.371(10) . ?
O5_1 C9_1 1.442(12) . ?
C1_1 C3_1 1.547(9) . ?
C2_1 C3_1 1.383(11) . ?
C2_1 C7_1 1.403(12) . ?
C2_1 H2_1 0.9500 . ?
C3_1 C4_1 1.400(12) . ?
C4_1 C5_1 1.370(12) . ?
C4_1 H4_1 0.9500 . ?
C5_1 C6_1 1.414(12) . ?
C6_1 C7_1 1.369(12) . ?
C6_1 H6_1 0.9500 . ?
C7_1 C8_1 1.538(10) . ?
C9_1 C10_1 1.535(11) . ?
C9_1 H9A_1 0.9900 . ?
C9_1 H9B_1 0.9900 . ?
C10_1 C11_1 1.522(12) . ?
C10_1 H10A_1 0.9900 . ?
C10_1 H10B_1 0.9900 . ?
C11_1 C12_1 1.546(13) . ?
C11_1 H11A_1 0.9900 . ?
C11_1 H11B_1 0.9900 . ?
C12_1 C13_1 1.515(13) . ?
C12_1 H12A_1 0.9900 . ?
C12_1 H12B_1 0.9900 . ?
C13_1 C14_1 1.488(13) . ?
C13_1 H13A_1 0.9900 . ?
C13_1 H13B_1 0.9900 . ?
C14_1 H14A_1 0.9800 . ?
C14_1 H14B_1 0.9800 . ?
C14_1 H14C_1 0.9800 . ?
O1_2 C1_2 1.217(11) . ?
O2_2 C1_2 1.274(11) . ?
O3_2 C8_2 1.244(12) . ?
O4_2 C8_2 1.283(12) . ?
O5_2 C5_2 1.342(19) . ?
O5_2 C9_2 1.55(4) . ?
C1_2 C3_2 1.534(11) . ?
C2_2 C3_2 1.383(14) . ?
C2_2 C7_2 1.401(15) . ?
C2_2 H2_2 0.9500 . ?
C3_2 C4_2 1.353(16) . ?
C4_2 C5_2 1.425(19) . ?
C4_2 H4_2 0.9500 . ?
C5_2 C6_2 1.40(2) . ?
C6_2 C7_2 1.364(17) . ?
C6_2 H6_2 0.9500 . ?
C7_2 C8_2 1.528(11) . ?
O1_3 C1_3 1.258(10) . ?
O2_3 C1_3 1.246(10) . ?
O3_3 C8_3 1.219(10) . ?
O4_3 C8_3 1.253(9) . ?
O5_3 C5_3 1.339(11) . ?
O5_3 C9_3 1.430(14) . ?
C1_3 C3_3 1.527(10) . ?
C2_3 C3_3 1.377(12) . ?
C2_3 C7_3 1.411(12) . ?
C2_3 H2_3 0.9500 . ?
C3_3 C4_3 1.383(12) . ?
C4_3 C5_3 1.375(13) . ?
C4_3 H4_3 0.9500 . ?
C5_3 C6_3 1.418(13) . ?
C6_3 C7_3 1.366(12) . ?
C6_3 H6_3 0.9500 . ?
C7_3 C8_3 1.536(10) . ?
C9_3 C10_3 1.54(2) . ?
C9_3 H9A_3 0.9900 . ?
C9_3 H9B_3 0.9900 . ?
O1_4 C1_4 1.270(11) . ?
O2_4 C1_4 1.264(11) . ?
O3_4 C8_4 1.283(11) . ?
O4_4 C8_4 1.238(11) . ?
O5_4 C5_4 1.364(13) . ?
O5_4 C9_4 1.400(15) . ?
C1_4 C3_4 1.528(10) . ?
C2_4 C7_4 1.401(13) . ?
C2_4 C3_4 1.403(14) . ?
C2_4 H2_4 0.9500 . ?
C3_4 C4_4 1.380(14) . ?
C4_4 C5_4 1.433(15) . ?
C4_4 H4_4 0.9500 . ?
C5_4 C6_4 1.368(14) . ?
C6_4 C7_4 1.392(13) . ?
C6_4 H6_4 0.9500 . ?
C7_4 C8_4 1.526(10) . ?
C9_4 C10_4 1.504(19) . ?
C9_4 H9A_4 0.9900 . ?
C9_4 H9B_4 0.9900 . ?
C10_4 C11_4 1.64(3) . ?
C10_4 H10A_4 0.9900 . ?
C10_4 H10B_4 0.9900 . ?
O1_5 C1_5 1.255(10) . ?
O2_5 C1_5 1.256(10) . ?
O3_5 C8_5 1.249(9) . ?
O4_5 C8_5 1.223(9) . ?
O5_5 C5_5 1.356(12) . ?
O5_5 C9_5 1.394(18) . ?
C1_5 C3_5 1.521(10) . ?
C2_5 C7_5 1.379(12) . ?
C2_5 C3_5 1.384(13) . ?
C2_5 H2_5 0.9500 . ?
C3_5 C4_5 1.381(14) . ?
C4_5 C5_5 1.403(15) . ?
C4_5 H4_5 0.9500 . ?
C5_5 C6_5 1.378(14) . ?
C6_5 C7_5 1.411(13) . ?
C6_5 H6_5 0.9500 . ?
C7_5 C8_5 1.532(10) . ?
C9_5 C10_5 1.45(3) . ?
C9_5 H9A_5 0.9900 . ?
C9_5 H9B_5 0.9900 . ?
O1_6 C1_6 1.228(11) . ?
O2_6 C1_6 1.254(11) . ?
O3_6 C8_6 1.296(11) . ?
O4_6 C8_6 1.227(11) . ?
O5_6 C5_6 1.408(15) . ?
O5_6 C10_6 1.58(3) . ?
C1_6 C3_6 1.525(11) . ?
C2_6 C7_6 1.384(14) . ?
C2_6 C3_6 1.415(14) . ?
C2_6 H2_6 0.9500 . ?
C3_6 C4_6 1.393(15) . ?
C4_6 C5_6 1.379(17) . ?
C4_6 H4_6 0.9500 . ?
C5_6 C6_6 1.394(17) . ?
C6_6 C7_6 1.342(15) . ?
C6_6 H6_6 0.9500 . ?
C7_6 C8_6 1.512(10) . ?
O1_7 C1_7 1.32(2) . ?
N1_7 C1_7 1.32(2) . ?
N1_7 C2_7 1.39(2) . ?
N1_7 C3_7 1.62(3) . ?
C1_7 H1_7 0.9500 . ?
C2_7 H2A_7 0.9800 . ?
C2_7 H2B_7 0.9800 . ?
C2_7 H2C_7 0.9800 . ?
C3_7 H3A_7 0.9800 . ?
C3_7 H3B_7 0.9800 . ?
C3_7 H3C_7 0.9800 . ?

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_1 Cu1 O1_1 90.2(4) . 6_565 ?
O1_1 Cu1 O3_5 168.0(3) . 5_666 ?
O1_1 Cu1 O3_5 89.0(3) 6_565 5_666 ?
O1_1 Cu1 O3_5 89.0(3) . 2_656 ?
O1_1 Cu1 O3_5 168.0(3) 6_565 2_656 ?
O3_5 Cu1 O3_5 89.4(4) 5_666 2_656 ?
O1_1 Cu1 O1 95.8(3) . . ?
O1_1 Cu1 O1 95.8(3) 6_565 . ?
O3_5 Cu1 O1 96.2(3) 5_666 . ?
O3_5 Cu1 O1 96.2(3) 2_656 . ?
O1_1 Cu1 Cu2 84.39(19) . . ?
O1_1 Cu1 Cu2 84.39(19) 6_565 . ?
O3_5 Cu1 Cu2 83.61(18) 5_666 . ?
O3_5 Cu1 Cu2 83.61(18) 2_656 . ?
O1 Cu1 Cu2 179.7(4) . . ?
O4_5 Cu2 O4_5 89.4(4) 5_666 2_656 ?
O4_5 Cu2 O2_1 169.2(3) 5_666 . ?
O4_5 Cu2 O2_1 89.4(3) 2_656 . ?
O4_5 Cu2 O2_1 89.4(3) 5_666 6_565 ?
O4_5 Cu2 O2_1 169.2(3) 2_656 6_565 ?
O2_1 Cu2 O2_1 89.8(4) . 6_565 ?
O4_5 Cu2 O1_8 94.0(2) 5_666 . ?
O4_5 Cu2 O1_8 94.0(2) 2_656 . ?
O2_1 Cu2 O1_8 96.8(2) . . ?
O2_1 Cu2 O1_8 96.8(2) 6_565 . ?
O4_5 Cu2 Cu1 84.89(19) 5_666 . ?
O4_5 Cu2 Cu1 84.89(19) 2_656 . ?
O2_1 Cu2 Cu1 84.30(18) . . ?
O2_1 Cu2 Cu1 84.30(18) 6_565 . ?
O1_8 Cu2 Cu1 178.4(2) . . ?
O3_1 Cu3 O3_6 89.1(3) . 2_656 ?
O3_1 Cu3 O1_3 169.1(3) . . ?
O3_6 Cu3 O1_3 88.8(3) 2_656 . ?
O3_1 Cu3 O1_2 90.3(3) . . ?
O3_6 Cu3 O1_2 168.8(3) 2_656 . ?
O1_3 Cu3 O1_2 89.7(3) . . ?
O3_1 Cu3 O3 97.1(4) . . ?
O3_6 Cu3 O3 96.1(4) 2_656 . ?
O1_3 Cu3 O3 93.8(4) . . ?
O1_2 Cu3 O3 95.1(4) . . ?
O3_1 Cu3 Cu4 85.06(19) . . ?
O3_6 Cu3 Cu4 84.7(2) 2_656 . ?
O1_3 Cu3 Cu4 84.1(2) . . ?
O1_2 Cu3 Cu4 84.1(2) . . ?
O3 Cu3 Cu4 177.7(4) . . ?
O4_1 Cu4 O4_6 88.8(3) . 2_656 ?
O4_1 Cu4 O2_3 168.1(3) . . ?
O4_6 Cu4 O2_3 88.5(3) 2_656 . ?
O4_1 Cu4 O2_2 90.3(3) . . ?
O4_6 Cu4 O2_2 168.3(3) 2_656 . ?
O2_3 Cu4 O2_2 90.0(3) . . ?
O4_1 Cu4 O4 94.5(3) . . ?
O4_6 Cu4 O4 98.5(3) 2_656 . ?
O2_3 Cu4 O4 97.3(3) . . ?
O2_2 Cu4 O4 93.3(3) . . ?
O4_1 Cu4 Cu3 83.7(2) . . ?
O4_6 Cu4 Cu3 83.9(2) 2_656 . ?
O2_3 Cu4 Cu3 84.45(19) . . ?
O2_2 Cu4 Cu3 84.3(2) . . ?
O4 Cu4 Cu3 177.0(3) . . ?
O1_4 Cu5 O1_4 89.9(4) 6_565 . ?
O1_4 Cu5 O3_2 169.2(3) 6_565 . ?
O1_4 Cu5 O3_2 89.1(3) . . ?
O1_4 Cu5 O3_2 89.1(3) 6_565 6_565 ?
O1_4 Cu5 O3_2 169.2(3) . 6_565 ?
O3_2 Cu5 O3_2 90.0(5) . 6_565 ?
O1_4 Cu5 O5 96.1(4) 6_565 . ?
O1_4 Cu5 O5 96.1(4) . . ?
O3_2 Cu5 O5 94.6(4) . . ?
O3_2 Cu5 O5 94.6(4) 6_565 . ?
O1_4 Cu5 Cu6 84.8(2) 6_565 . ?
O1_4 Cu5 Cu6 84.8(2) . . ?
O3_2 Cu5 Cu6 84.4(2) . . ?
O3_2 Cu5 Cu6 84.4(2) 6_565 . ?
O5 Cu5 Cu6 178.6(4) . . ?
O2_4 Cu6 O2_4 90.7(5) 6_565 . ?
O2_4 Cu6 O4_2 168.7(3) 6_565 . ?
O2_4 Cu6 O4_2 89.0(3) . . ?
O2_4 Cu6 O4_2 89.0(3) 6_565 6_565 ?
O2_4 Cu6 O4_2 168.7(3) . 6_565 ?
O4_2 Cu6 O4_2 89.1(5) . 6_565 ?
O2_4 Cu6 O6 96.3(4) 6_565 . ?
O2_4 Cu6 O6 96.3(4) . . ?
O4_2 Cu6 O6 94.9(4) . . ?
O4_2 Cu6 O6 94.9(4) 6_565 . ?
O2_4 Cu6 Cu5 84.2(2) 6_565 . ?
O2_4 Cu6 Cu5 84.2(2) . . ?
O4_2 Cu6 Cu5 84.6(2) . . ?
O4_2 Cu6 Cu5 84.6(2) 6_565 . ?
O6 Cu6 Cu5 179.3(4) . . ?
O1_5 Cu7 O3_4 89.0(3) . . ?
O1_5 Cu7 O3_3 166.6(3) . . ?
O3_4 Cu7 O3_3 88.8(3) . . ?
O1_5 Cu7 O1_6 89.3(3) . . ?
O3_4 Cu7 O1_6 169.6(3) . . ?
O3_3 Cu7 O1_6 90.6(3) . . ?
O1_5 Cu7 O7 98.4(4) . . ?
O3_4 Cu7 O7 93.6(4) . . ?
O3_3 Cu7 O7 94.9(4) . . ?
O1_6 Cu7 O7 96.8(4) . . ?
O1_5 Cu7 Cu8 82.82(19) . . ?
O3_4 Cu7 Cu8 84.91(19) . . ?
O3_3 Cu7 Cu8 83.87(19) . . ?
O1_6 Cu7 Cu8 84.7(2) . . ?
O7 Cu7 Cu8 178.1(4) . . ?
O2_5 Cu8 O2_6 89.0(3) . . ?
O2_5 Cu8 O4_3 168.9(3) . . ?
O2_6 Cu8 O4_3 89.6(3) . . ?
O2_5 Cu8 O4_4 88.4(3) . . ?
O2_6 Cu8 O4_4 167.0(3) . . ?
O4_3 Cu8 O4_4 90.5(3) . . ?
O2_5 Cu8 O1_7 92.8(3) . . ?
O2_6 Cu8 O1_7 92.6(3) . . ?
O4_3 Cu8 O1_7 98.3(3) . . ?
O4_4 Cu8 O1_7 100.3(3) . . ?
O2_5 Cu8 Cu7 85.1(2) . . ?
O2_6 Cu8 Cu7 83.1(2) . . ?
O4_3 Cu8 Cu7 83.78(18) . . ?
O4_4 Cu8 Cu7 84.0(2) . . ?
O1_7 Cu8 Cu7 175.2(3) . . ?
C1_1 O1_1 Cu1 120.9(5) . . ?
C1_1 O2_1 Cu2 121.1(5) . . ?
C8_1 O3_1 Cu3 120.2(5) . . ?
C8_1 O4_1 Cu4 120.7(6) . . ?
C5_1 O5_1 C9_1 117.2(7) . . ?
O1_1 C1_1 O2_1 128.7(7) . . ?
O1_1 C1_1 C3_1 116.1(7) . . ?
O2_1 C1_1 C3_1 114.8(7) . . ?
C3_1 C2_1 C7_1 119.9(8) . . ?
C3_1 C2_1 H2_1 120.0 . . ?
C7_1 C2_1 H2_1 120.0 . . ?
C2_1 C3_1 C4_1 120.0(7) . . ?
C2_1 C3_1 C1_1 119.0(8) . . ?
C4_1 C3_1 C1_1 121.0(7) . . ?
C5_1 C4_1 C3_1 120.5(8) . . ?
C5_1 C4_1 H4_1 119.8 . . ?
C3_1 C4_1 H4_1 119.8 . . ?
C4_1 C5_1 O5_1 125.1(8) . . ?
C4_1 C5_1 C6_1 119.2(8) . . ?
O5_1 C5_1 C6_1 115.6(8) . . ?
C7_1 C6_1 C5_1 120.7(8) . . ?
C7_1 C6_1 H6_1 119.6 . . ?
C5_1 C6_1 H6_1 119.6 . . ?
C6_1 C7_1 C2_1 119.7(8) . . ?
C6_1 C7_1 C8_1 119.6(8) . . ?
C2_1 C7_1 C8_1 120.5(8) . . ?
O3_1 C8_1 O4_1 129.1(7) . . ?
O3_1 C8_1 C7_1 114.9(8) . . ?
O4_1 C8_1 C7_1 115.7(8) . . ?
O5_1 C9_1 C10_1 110.6(9) . . ?
O5_1 C9_1 H9A_1 109.5 . . ?
C10_1 C9_1 H9A_1 109.5 . . ?
O5_1 C9_1 H9B_1 109.5 . . ?
C10_1 C9_1 H9B_1 109.5 . . ?
H9A_1 C9_1 H9B_1 108.1 . . ?
C11_1 C10_1 C9_1 111.7(11) . . ?
C11_1 C10_1 H10A_1 109.3 . . ?
C9_1 C10_1 H10A_1 109.3 . . ?
C11_1 C10_1 H10B_1 109.3 . . ?
C9_1 C10_1 H10B_1 109.3 . . ?
H10A_1 C10_1 H10B_1 108.0 . . ?
C10_1 C11_1 C12_1 111.2(14) . . ?
C10_1 C11_1 H11A_1 109.4 . . ?
C12_1 C11_1 H11A_1 109.4 . . ?
C10_1 C11_1 H11B_1 109.4 . . ?
C12_1 C11_1 H11B_1 109.4 . . ?
H11A_1 C11_1 H11B_1 108.0 . . ?
C13_1 C12_1 C11_1 108.5(16) . . ?
C13_1 C12_1 H12A_1 110.0 . . ?
C11_1 C12_1 H12A_1 110.0 . . ?
C13_1 C12_1 H12B_1 110.0 . . ?
C11_1 C12_1 H12B_1 110.0 . . ?
H12A_1 C12_1 H12B_1 108.4 . . ?
C14_1 C13_1 C12_1 104.9(19) . . ?
C14_1 C13_1 H13A_1 110.8 . . ?
C12_1 C13_1 H13A_1 110.8 . . ?
C14_1 C13_1 H13B_1 110.8 . . ?
C12_1 C13_1 H13B_1 110.8 . . ?
H13A_1 C13_1 H13B_1 108.9 . . ?
C13_1 C14_1 H14A_1 109.5 . . ?
C13_1 C14_1 H14B_1 109.5 . . ?
H14A_1 C14_1 H14B_1 109.5 . . ?
C13_1 C14_1 H14C_1 109.5 . . ?
H14A_1 C14_1 H14C_1 109.5 . . ?
H14B_1 C14_1 H14C_1 109.5 . . ?
C1_2 O1_2 Cu3 122.6(6) . . ?
C1_2 O2_2 Cu4 119.5(7) . . ?
C8_2 O3_2 Cu5 121.8(6) . . ?
C8_2 O4_2 Cu6 120.7(7) . . ?
C5_2 O5_2 C9_2 125.6(19) . . ?
O1_2 C1_2 O2_2 129.2(9) . . ?
O1_2 C1_2 C3_2 117.2(9) . . ?
O2_2 C1_2 C3_2 113.4(10) . . ?
C3_2 C2_2 C7_2 120.2(10) . . ?
C3_2 C2_2 H2_2 119.9 . . ?
C7_2 C2_2 H2_2 119.9 . . ?
C4_2 C3_2 C2_2 120.7(10) . . ?
C4_2 C3_2 C1_2 121.3(10) . . ?
C2_2 C3_2 C1_2 118.0(10) . . ?
C3_2 C4_2 C5_2 120.1(12) . . ?
C3_2 C4_2 H4_2 119.9 . . ?
C5_2 C4_2 H4_2 119.9 . . ?
O5_2 C5_2 C6_2 120.4(15) . . ?
O5_2 C5_2 C4_2 121.1(14) . . ?
C6_2 C5_2 C4_2 118.5(15) . . ?
C7_2 C6_2 C5_2 120.7(13) . . ?
C7_2 C6_2 H6_2 119.7 . . ?
C5_2 C6_2 H6_2 119.7 . . ?
C6_2 C7_2 C2_2 119.7(10) . . ?
C6_2 C7_2 C8_2 121.2(11) . . ?
C2_2 C7_2 C8_2 119.1(10) . . ?
O3_2 C8_2 O4_2 127.9(9) . . ?
O3_2 C8_2 C7_2 117.0(9) . . ?
O4_2 C8_2 C7_2 114.7(10) . . ?
C1_3 O1_3 Cu3 121.9(6) . . ?
C1_3 O2_3 Cu4 120.5(5) . . ?
C8_3 O3_3 Cu7 122.0(5) . . ?
C8_3 O4_3 Cu8 121.1(6) . . ?
C5_3 O5_3 C9_3 120.4(9) . . ?
O2_3 C1_3 O1_3 128.4(7) . . ?
O2_3 C1_3 C3_3 115.7(8) . . ?
O1_3 C1_3 C3_3 115.5(8) . . ?
C3_3 C2_3 C7_3 121.2(8) . . ?
C3_3 C2_3 H2_3 119.4 . . ?
C7_3 C2_3 H2_3 119.4 . . ?
C2_3 C3_3 C4_3 119.1(8) . . ?
C2_3 C3_3 C1_3 118.4(8) . . ?
C4_3 C3_3 C1_3 122.4(8) . . ?
C5_3 C4_3 C3_3 121.6(9) . . ?
C5_3 C4_3 H4_3 119.2 . . ?
C3_3 C4_3 H4_3 119.2 . . ?
O5_3 C5_3 C4_3 117.8(8) . . ?
O5_3 C5_3 C6_3 123.9(8) . . ?
C4_3 C5_3 C6_3 118.2(9) . . ?
C7_3 C6_3 C5_3 121.5(8) . . ?
C7_3 C6_3 H6_3 119.3 . . ?
C5_3 C6_3 H6_3 119.3 . . ?
C6_3 C7_3 C2_3 118.3(8) . . ?
C6_3 C7_3 C8_3 122.5(8) . . ?
C2_3 C7_3 C8_3 119.2(8) . . ?
O3_3 C8_3 O4_3 128.4(8) . . ?
O3_3 C8_3 C7_3 116.5(7) . . ?
O4_3 C8_3 C7_3 114.9(8) . . ?
O5_3 C9_3 C10_3 107.3(12) . . ?
O5_3 C9_3 H9A_3 110.3 . . ?
C10_3 C9_3 H9A_3 110.3 . . ?
O5_3 C9_3 H9B_3 110.3 . . ?
C10_3 C9_3 H9B_3 110.3 . . ?
H9A_3 C9_3 H9B_3 108.5 . . ?
C1_4 O1_4 Cu5 121.0(6) . . ?
C1_4 O2_4 Cu6 122.0(6) . . ?
C8_4 O3_4 Cu7 120.8(6) . . ?
C8_4 O4_4 Cu8 122.2(6) . . ?
C5_4 O5_4 C9_4 116.8(10) . . ?
O2_4 C1_4 O1_4 127.5(8) . . ?
O2_4 C1_4 C3_4 117.1(9) . . ?
O1_4 C1_4 C3_4 115.3(9) . . ?
C7_4 C2_4 C3_4 119.6(9) . . ?
C7_4 C2_4 H2_4 120.2 . . ?
C3_4 C2_4 H2_4 120.2 . . ?
C4_4 C3_4 C2_4 120.3(9) . . ?
C4_4 C3_4 C1_4 119.2(10) . . ?
C2_4 C3_4 C1_4 120.2(9) . . ?
C3_4 C4_4 C5_4 119.6(10) . . ?
C3_4 C4_4 H4_4 120.2 . . ?
C5_4 C4_4 H4_4 120.2 . . ?
O5_4 C5_4 C6_4 125.8(10) . . ?
O5_4 C5_4 C4_4 114.8(10) . . ?
C6_4 C5_4 C4_4 119.4(10) . . ?
C5_4 C6_4 C7_4 121.0(9) . . ?
C5_4 C6_4 H6_4 119.5 . . ?
C7_4 C6_4 H6_4 119.5 . . ?
C6_4 C7_4 C2_4 120.0(9) . . ?
C6_4 C7_4 C8_4 120.3(9) . . ?
C2_4 C7_4 C8_4 119.7(8) . . ?
O4_4 C8_4 O3_4 128.0(9) . . ?
O4_4 C8_4 C7_4 116.5(8) . . ?
O3_4 C8_4 C7_4 115.4(8) . . ?
O5_4 C9_4 C10_4 108.8(13) . . ?
O5_4 C9_4 H9A_4 109.9 . . ?
C10_4 C9_4 H9A_4 109.9 . . ?
O5_4 C9_4 H9B_4 109.9 . . ?
C10_4 C9_4 H9B_4 109.9 . . ?
H9A_4 C9_4 H9B_4 108.3 . . ?
C9_4 C10_4 C11_4 110.1(17) . . ?
C9_4 C10_4 H10A_4 109.6 . . ?
C11_4 C10_4 H10A_4 109.6 . . ?
C9_4 C10_4 H10B_4 109.6 . . ?
C11_4 C10_4 H10B_4 109.6 . . ?
H10A_4 C10_4 H10B_4 108.1 . . ?
C1_5 O1_5 Cu7 123.7(5) . . ?
C1_5 O2_5 Cu8 121.4(6) . . ?
C8_5 O3_5 Cu1 121.3(5) . 5_666 ?
C8_5 O4_5 Cu2 121.4(6) . 5_666 ?
C5_5 O5_5 C9_5 120.6(10) . . ?
O1_5 C1_5 O2_5 125.9(8) . . ?
O1_5 C1_5 C3_5 115.4(8) . . ?
O2_5 C1_5 C3_5 117.7(8) . . ?
C7_5 C2_5 C3_5 120.5(9) . . ?
C7_5 C2_5 H2_5 119.8 . . ?
C3_5 C2_5 H2_5 119.8 . . ?
C4_5 C3_5 C2_5 119.6(9) . . ?
C4_5 C3_5 C1_5 120.2(8) . . ?
C2_5 C3_5 C1_5 119.9(8) . . ?
C3_5 C4_5 C5_5 121.5(10) . . ?
C3_5 C4_5 H4_5 119.3 . . ?
C5_5 C4_5 H4_5 119.3 . . ?
O5_5 C5_5 C6_5 123.5(9) . . ?
O5_5 C5_5 C4_5 118.4(9) . . ?
C6_5 C5_5 C4_5 118.1(10) . . ?
C5_5 C6_5 C7_5 120.9(9) . . ?
C5_5 C6_5 H6_5 119.5 . . ?
C7_5 C6_5 H6_5 119.5 . . ?
C2_5 C7_5 C6_5 119.4(8) . . ?
C2_5 C7_5 C8_5 120.8(8) . . ?
C6_5 C7_5 C8_5 119.6(8) . . ?
O4_5 C8_5 O3_5 128.4(7) . . ?
O4_5 C8_5 C7_5 116.1(7) . . ?
O3_5 C8_5 C7_5 115.2(7) . . ?
O5_5 C9_5 C10_5 112.1(18) . . ?
O5_5 C9_5 H9A_5 109.2 . . ?
C10_5 C9_5 H9A_5 109.2 . . ?
O5_5 C9_5 H9B_5 109.2 . . ?
C10_5 C9_5 H9B_5 109.2 . . ?
H9A_5 C9_5 H9B_5 107.9 . . ?
C1_6 O1_6 Cu7 120.3(6) . . ?
C1_6 O2_6 Cu8 123.6(7) . . ?
C8_6 O3_6 Cu3 121.1(6) . 2_656 ?
C8_6 O4_6 Cu4 122.6(6) . 2_656 ?
C5_6 O5_6 C10_6 130.7(17) . . ?
O1_6 C1_6 O2_6 127.8(9) . . ?
O1_6 C1_6 C3_6 115.8(9) . . ?
O2_6 C1_6 C3_6 116.4(9) . . ?
C7_6 C2_6 C3_6 121.3(10) . . ?
C7_6 C2_6 H2_6 119.4 . . ?
C3_6 C2_6 H2_6 119.4 . . ?
C4_6 C3_6 C2_6 117.4(10) . . ?
C4_6 C3_6 C1_6 121.4(10) . . ?
C2_6 C3_6 C1_6 121.3(10) . . ?
C5_6 C4_6 C3_6 119.7(11) . . ?
C5_6 C4_6 H4_6 120.1 . . ?
C3_6 C4_6 H4_6 120.1 . . ?
C4_6 C5_6 C6_6 121.7(12) . . ?
C4_6 C5_6 O5_6 117.8(12) . . ?
C6_6 C5_6 O5_6 120.4(13) . . ?
C7_6 C6_6 C5_6 119.2(12) . . ?
C7_6 C6_6 H6_6 120.4 . . ?
C5_6 C6_6 H6_6 120.4 . . ?
C6_6 C7_6 C2_6 120.6(10) . . ?
C6_6 C7_6 C8_6 119.2(11) . . ?
C2_6 C7_6 C8_6 120.2(10) . . ?
O4_6 C8_6 O3_6 127.3(9) . . ?
O4_6 C8_6 C7_6 117.7(9) . . ?
O3_6 C8_6 C7_6 114.8(9) . . ?
C1_7 O1_7 Cu8 117.7(9) . . ?
C1_7 N1_7 C2_7 118(2) . . ?
C1_7 N1_7 C3_7 131(2) . . ?
C2_7 N1_7 C3_7 109.4(16) . . ?
N1_7 C1_7 O1_7 137.9(19) . . ?
N1_7 C1_7 H1_7 111.1 . . ?
O1_7 C1_7 H1_7 111.1 . . ?
N1_7 C2_7 H2A_7 109.5 . . ?
N1_7 C2_7 H2B_7 109.5 . . ?
H2A_7 C2_7 H2B_7 109.5 . . ?
N1_7 C2_7 H2C_7 109.5 . . ?
H2A_7 C2_7 H2C_7 109.5 . . ?
H2B_7 C2_7 H2C_7 109.5 . . ?
N1_7 C3_7 H3A_7 109.5 . . ?
N1_7 C3_7 H3B_7 109.5 . . ?
H3A_7 C3_7 H3B_7 109.5 . . ?
N1_7 C3_7 H3C_7 109.5 . . ?
H3A_7 C3_7 H3C_7 109.5 . . ?
H3B_7 C3_7 H3C_7 109.5 . . ?

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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cu1 O1_1 C1_1 O2_1 -9.3(14) . . . . ?
Cu1 O1_1 C1_1 C3_1 177.9(6) . . . . ?
Cu2 O2_1 C1_1 O1_1 9.5(13) . . . . ?
Cu2 O2_1 C1_1 C3_1 -177.6(5) . . . . ?
C7_1 C2_1 C3_1 C4_1 1.8(13) . . . . ?
C7_1 C2_1 C3_1 C1_1 -174.8(8) . . . . ?
O1_1 C1_1 C3_1 C2_1 -7.4(12) . . . . ?
O2_1 C1_1 C3_1 C2_1 178.8(8) . . . . ?
O1_1 C1_1 C3_1 C4_1 176.0(8) . . . . ?
O2_1 C1_1 C3_1 C4_1 2.2(12) . . . . ?
C2_1 C3_1 C4_1 C5_1 -2.1(13) . . . . ?
C1_1 C3_1 C4_1 C5_1 174.5(8) . . . . ?
C3_1 C4_1 C5_1 O5_1 -176.5(9) . . . . ?
C3_1 C4_1 C5_1 C6_1 1.5(14) . . . . ?
C9_1 O5_1 C5_1 C4_1 14.0(14) . . . . ?
C9_1 O5_1 C5_1 C6_1 -164.1(9) . . . . ?
C4_1 C5_1 C6_1 C7_1 -0.7(14) . . . . ?
O5_1 C5_1 C6_1 C7_1 177.5(9) . . . . ?
C5_1 C6_1 C7_1 C2_1 0.4(15) . . . . ?
C5_1 C6_1 C7_1 C8_1 -173.3(9) . . . . ?
C3_1 C2_1 C7_1 C6_1 -1.0(14) . . . . ?
C3_1 C2_1 C7_1 C8_1 172.7(8) . . . . ?
Cu3 O3_1 C8_1 O4_1 14.4(15) . . . . ?
Cu3 O3_1 C8_1 C7_1 -172.7(6) . . . . ?
Cu4 O4_1 C8_1 O3_1 -13.5(15) . . . . ?
Cu4 O4_1 C8_1 C7_1 173.6(6) . . . . ?
C6_1 C7_1 C8_1 O3_1 -176.5(9) . . . . ?
C2_1 C7_1 C8_1 O3_1 9.9(13) . . . . ?
C6_1 C7_1 C8_1 O4_1 -2.6(14) . . . . ?
C2_1 C7_1 C8_1 O4_1 -176.3(9) . . . . ?
C5_1 O5_1 C9_1 C10_1 170.7(9) . . . . ?
O5_1 C9_1 C10_1 C11_1 -70.8(15) . . . . ?
C9_1 C10_1 C11_1 C12_1 -74.6(18) . . . . ?
C10_1 C11_1 C12_1 C13_1 -173.7(18) . . . . ?
C11_1 C12_1 C13_1 C14_1 -169.3(19) . . . . ?
Cu3 O1_2 C1_2 O2_2 -6.2(16) . . . . ?
Cu3 O1_2 C1_2 C3_2 179.6(7) . . . . ?
Cu4 O2_2 C1_2 O1_2 6.9(15) . . . . ?
Cu4 O2_2 C1_2 C3_2 -178.8(6) . . . . ?
C7_2 C2_2 C3_2 C4_2 1.8(18) . . . . ?
C7_2 C2_2 C3_2 C1_2 -176.2(10) . . . . ?
O1_2 C1_2 C3_2 C4_2 171.7(12) . . . . ?
O2_2 C1_2 C3_2 C4_2 -3.3(16) . . . . ?
O1_2 C1_2 C3_2 C2_2 -10.3(15) . . . . ?
O2_2 C1_2 C3_2 C2_2 174.7(10) . . . . ?
C2_2 C3_2 C4_2 C5_2 0(2) . . . . ?
C1_2 C3_2 C4_2 C5_2 178.4(14) . . . . ?
C9_2 O5_2 C5_2 C6_2 153(3) . . . . ?
C9_2 O5_2 C5_2 C4_2 -25(4) . . . . ?
C3_2 C4_2 C5_2 O5_2 174.9(18) . . . . ?
C3_2 C4_2 C5_2 C6_2 -3(3) . . . . ?
O5_2 C5_2 C6_2 C7_2 -174.5(18) . . . . ?
C4_2 C5_2 C6_2 C7_2 3(3) . . . . ?
C5_2 C6_2 C7_2 C2_2 -1(2) . . . . ?
C5_2 C6_2 C7_2 C8_2 -179.6(14) . . . . ?
C3_2 C2_2 C7_2 C6_2 -1.4(19) . . . . ?
C3_2 C2_2 C7_2 C8_2 176.9(10) . . . . ?
Cu5 O3_2 C8_2 O4_2 10.2(16) . . . . ?
Cu5 O3_2 C8_2 C7_2 -177.3(7) . . . . ?
Cu6 O4_2 C8_2 O3_2 -10.8(16) . . . . ?
Cu6 O4_2 C8_2 C7_2 176.6(7) . . . . ?
C6_2 C7_2 C8_2 O3_2 -169.3(12) . . . . ?
C2_2 C7_2 C8_2 O3_2 12.5(16) . . . . ?
C6_2 C7_2 C8_2 O4_2 4.2(17) . . . . ?
C2_2 C7_2 C8_2 O4_2 -174.1(10) . . . . ?
Cu4 O2_3 C1_3 O1_3 -9.8(15) . . . . ?
Cu4 O2_3 C1_3 C3_3 178.3(6) . . . . ?
Cu3 O1_3 C1_3 O2_3 10.4(15) . . . . ?
Cu3 O1_3 C1_3 C3_3 -177.6(6) . . . . ?
C7_3 C2_3 C3_3 C4_3 -3.3(15) . . . . ?
C7_3 C2_3 C3_3 C1_3 174.4(9) . . . . ?
O2_3 C1_3 C3_3 C2_3 -173.5(9) . . . . ?
O1_3 C1_3 C3_3 C2_3 13.5(13) . . . . ?
O2_3 C1_3 C3_3 C4_3 4.1(14) . . . . ?
O1_3 C1_3 C3_3 C4_3 -168.9(10) . . . . ?
C2_3 C3_3 C4_3 C5_3 1.0(16) . . . . ?
C1_3 C3_3 C4_3 C5_3 -176.5(10) . . . . ?
C9_3 O5_3 C5_3 C4_3 167.4(11) . . . . ?
C9_3 O5_3 C5_3 C6_3 -10.2(17) . . . . ?
C3_3 C4_3 C5_3 O5_3 -176.2(10) . . . . ?
C3_3 C4_3 C5_3 C6_3 1.5(16) . . . . ?
O5_3 C5_3 C6_3 C7_3 175.6(11) . . . . ?
C4_3 C5_3 C6_3 C7_3 -1.9(16) . . . . ?
C5_3 C6_3 C7_3 C2_3 -0.2(16) . . . . ?
C5_3 C6_3 C7_3 C8_3 178.0(10) . . . . ?
C3_3 C2_3 C7_3 C6_3 2.8(15) . . . . ?
C3_3 C2_3 C7_3 C8_3 -175.4(9) . . . . ?
Cu7 O3_3 C8_3 O4_3 -9.8(15) . . . . ?
Cu7 O3_3 C8_3 C7_3 176.4(6) . . . . ?
Cu8 O4_3 C8_3 O3_3 12.7(15) . . . . ?
Cu8 O4_3 C8_3 C7_3 -173.5(6) . . . . ?
C6_3 C7_3 C8_3 O3_3 170.5(10) . . . . ?
C2_3 C7_3 C8_3 O3_3 -11.3(14) . . . . ?
C6_3 C7_3 C8_3 O4_3 -4.1(15) . . . . ?
C2_3 C7_3 C8_3 O4_3 174.1(9) . . . . ?
C5_3 O5_3 C9_3 C10_3 -162.1(15) . . . . ?
Cu6 O2_4 C1_4 O1_4 7.7(15) . . . . ?
Cu6 O2_4 C1_4 C3_4 -176.3(6) . . . . ?
Cu5 O1_4 C1_4 O2_4 -8.3(14) . . . . ?
Cu5 O1_4 C1_4 C3_4 175.7(6) . . . . ?
C7_4 C2_4 C3_4 C4_4 1.5(15) . . . . ?
C7_4 C2_4 C3_4 C1_4 -172.4(9) . . . . ?
O2_4 C1_4 C3_4 C4_4 -1.8(14) . . . . ?
O1_4 C1_4 C3_4 C4_4 174.7(9) . . . . ?
O2_4 C1_4 C3_4 C2_4 172.1(9) . . . . ?
O1_4 C1_4 C3_4 C2_4 -11.4(14) . . . . ?
C2_4 C3_4 C4_4 C5_4 0.8(16) . . . . ?
C1_4 C3_4 C4_4 C5_4 174.7(9) . . . . ?
C9_4 O5_4 C5_4 C6_4 8.9(18) . . . . ?
C9_4 O5_4 C5_4 C4_4 -172.0(11) . . . . ?
C3_4 C4_4 C5_4 O5_4 176.6(10) . . . . ?
C3_4 C4_4 C5_4 C6_4 -4.1(16) . . . . ?
O5_4 C5_4 C6_4 C7_4 -175.8(10) . . . . ?
C4_4 C5_4 C6_4 C7_4 5.1(16) . . . . ?
C5_4 C6_4 C7_4 C2_4 -2.8(15) . . . . ?
C5_4 C6_4 C7_4 C8_4 179.9(9) . . . . ?
C3_4 C2_4 C7_4 C6_4 -0.6(14) . . . . ?
C3_4 C2_4 C7_4 C8_4 176.8(9) . . . . ?
Cu8 O4_4 C8_4 O3_4 -4.3(14) . . . . ?
Cu8 O4_4 C8_4 C7_4 -179.9(6) . . . . ?
Cu7 O3_4 C8_4 O4_4 4.6(13) . . . . ?
Cu7 O3_4 C8_4 C7_4 -179.7(6) . . . . ?
C6_4 C7_4 C8_4 O4_4 -0.7(13) . . . . ?
C2_4 C7_4 C8_4 O4_4 -178.0(8) . . . . ?
C6_4 C7_4 C8_4 O3_4 -176.9(8) . . . . ?
C2_4 C7_4 C8_4 O3_4 5.7(13) . . . . ?
C5_4 O5_4 C9_4 C10_4 170.6(13) . . . . ?
O5_4 C9_4 C10_4 C11_4 -165.4(19) . . . . ?
Cu7 O1_5 C1_5 O2_5 -11.9(16) . . . . ?
Cu7 O1_5 C1_5 C3_5 179.9(7) . . . . ?
Cu8 O2_5 C1_5 O1_5 13.0(16) . . . . ?
Cu8 O2_5 C1_5 C3_5 -179.1(7) . . . . ?
C7_5 C2_5 C3_5 C4_5 0.3(16) . . . . ?
C7_5 C2_5 C3_5 C1_5 -172.8(9) . . . . ?
O1_5 C1_5 C3_5 C4_5 171.7(11) . . . . ?
O2_5 C1_5 C3_5 C4_5 2.5(16) . . . . ?
O1_5 C1_5 C3_5 C2_5 -15.2(15) . . . . ?
O2_5 C1_5 C3_5 C2_5 175.6(10) . . . . ?
C2_5 C3_5 C4_5 C5_5 0.6(19) . . . . ?
C1_5 C3_5 C4_5 C5_5 173.7(12) . . . . ?
C9_5 O5_5 C5_5 C6_5 4(2) . . . . ?
C9_5 O5_5 C5_5 C4_5 -175.6(16) . . . . ?
C3_5 C4_5 C5_5 O5_5 179.6(12) . . . . ?
C3_5 C4_5 C5_5 C6_5 0(2) . . . . ?
O5_5 C5_5 C6_5 C7_5 179.0(12) . . . . ?
C4_5 C5_5 C6_5 C7_5 -1.5(19) . . . . ?
C3_5 C2_5 C7_5 C6_5 -1.8(16) . . . . ?
C3_5 C2_5 C7_5 C8_5 173.4(9) . . . . ?
C5_5 C6_5 C7_5 C2_5 2.4(17) . . . . ?
C5_5 C6_5 C7_5 C8_5 -172.8(11) . . . . ?
Cu2 O4_5 C8_5 O3_5 -8.5(14) 5_666 . . . ?
Cu2 O4_5 C8_5 C7_5 178.5(6) 5_666 . . . ?
Cu1 O3_5 C8_5 O4_5 8.3(14) 5_666 . . . ?
Cu1 O3_5 C8_5 C7_5 -178.6(6) 5_666 . . . ?
C2_5 C7_5 C8_5 O4_5 -172.4(9) . . . . ?
C6_5 C7_5 C8_5 O4_5 2.8(14) . . . . ?
C2_5 C7_5 C8_5 O3_5 13.7(13) . . . . ?
C6_5 C7_5 C8_5 O3_5 -171.2(9) . . . . ?
C5_5 O5_5 C9_5 C10_5 -174(2) . . . . ?
Cu7 O1_6 C1_6 O2_6 9.5(15) . . . . ?
Cu7 O1_6 C1_6 C3_6 -174.3(7) . . . . ?
Cu8 O2_6 C1_6 O1_6 -8.0(16) . . . . ?
Cu8 O2_6 C1_6 C3_6 175.9(7) . . . . ?
C7_6 C2_6 C3_6 C4_6 -2.0(16) . . . . ?
C7_6 C2_6 C3_6 C1_6 177.0(10) . . . . ?
O1_6 C1_6 C3_6 C4_6 -172.8(11) . . . . ?
O2_6 C1_6 C3_6 C4_6 3.9(16) . . . . ?
O1_6 C1_6 C3_6 C2_6 8.3(15) . . . . ?
O2_6 C1_6 C3_6 C2_6 -175.1(10) . . . . ?
C2_6 C3_6 C4_6 C5_6 -0.9(19) . . . . ?
C1_6 C3_6 C4_6 C5_6 -179.9(13) . . . . ?
C3_6 C4_6 C5_6 C6_6 3(2) . . . . ?
C3_6 C4_6 C5_6 O5_6 179.6(14) . . . . ?
C10_6 O5_6 C5_6 C4_6 5(3) . . . . ?
C10_6 O5_6 C5_6 C6_6 -179(2) . . . . ?
C4_6 C5_6 C6_6 C7_6 -2(2) . . . . ?
O5_6 C5_6 C6_6 C7_6 -178.6(14) . . . . ?
C5_6 C6_6 C7_6 C2_6 -1(2) . . . . ?
C5_6 C6_6 C7_6 C8_6 176.9(12) . . . . ?
C3_6 C2_6 C7_6 C6_6 3.0(17) . . . . ?
C3_6 C2_6 C7_6 C8_6 -174.9(9) . . . . ?
Cu4 O4_6 C8_6 O3_6 8.0(14) 2_656 . . . ?
Cu4 O4_6 C8_6 C7_6 -177.5(6) 2_656 . . . ?
Cu3 O3_6 C8_6 O4_6 -7.1(14) 2_656 . . . ?
Cu3 O3_6 C8_6 C7_6 178.3(6) 2_656 . . . ?
C6_6 C7_6 C8_6 O4_6 -0.7(15) . . . . ?
C2_6 C7_6 C8_6 O4_6 177.2(9) . . . . ?
C6_6 C7_6 C8_6 O3_6 174.4(10) . . . . ?
C2_6 C7_6 C8_6 O3_6 -7.7(14) . . . . ?
C2_7 N1_7 C1_7 O1_7 -9(5) . . . . ?
C3_7 N1_7 C1_7 O1_7 156(3) . . . . ?
Cu8 O1_7 C1_7 N1_7 -179(3) . . . . ?

_refine_diff_density_max         1.472
_refine_diff_density_min         -0.471
_refine_diff_density_rms         0.088


####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_eric365
_database_code_depnum_ccdc_archive 'CCDC 2018427'
loop_
_audit_author_name
_audit_author_address
'Glenn Yap'
;University of Delaware
United States of America
;
_audit_update_record             
;
2020-07-23 deposited with the CCDC.	2020-10-19 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_THETM01_eric365             
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: As in similar MOPs, this compound consistently deposits 
as weakly diffracting crystals.
;
_vrf_PLAT315_eric365             
;
PROBLEM: Singly Bonded Carbon Detected (H-atoms Missing).         C9 Check 
RESPONSE: This is the last C-atom that can be modeled in a C10 
alkyl chain.
;
_vrf_PLAT341_eric365             
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0185 Ang.  
RESPONSE: Low resolution data yield low precision structures.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
; 
C224 H116 Cu24 N4 O144, 12[C10H21], 4[C9H21], 8[C8H19], 20[C3H7N] 
;
_chemical_formula_sum            'C504 H744 Cu24 N24 O144'
_chemical_formula_weight         10968.15

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'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 2/m'
_space_group_name_Hall           '-C 2y'

_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'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'

_cell_length_a                   38.162(2)
_cell_length_b                   30.3222(17)
_cell_length_c                   28.8145(17)
_cell_angle_alpha                90
_cell_angle_beta                 110.311(3)
_cell_angle_gamma                90
_cell_volume                     31269(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9845
_cell_measurement_theta_min      2.78
_cell_measurement_theta_max      43.82

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.165
_exptl_crystal_F_000             11568
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.254
_exptl_crystal_size_mid          0.243
_exptl_crystal_size_min          0.241
_exptl_absorpt_coefficient_mu    1.439
_shelx_estimated_absorpt_T_min   0.711
_shelx_estimated_absorpt_T_max   0.723
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            100219
_diffrn_reflns_av_unetI/netI     0.0381
_diffrn_reflns_av_R_equivalents  0.0618
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.218
_diffrn_reflns_theta_max         44.589
_diffrn_reflns_theta_full        44.589
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             12594
_reflns_number_gt                8248
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 Structure factors included contributions from the .fab file. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1821P)²+132.0763P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12594
_refine_ls_number_parameters     910
_refine_ls_number_restraints     1582
_refine_ls_R_factor_all          0.1074
_refine_ls_R_factor_gt           0.0816
_refine_ls_wR_factor_ref         0.2855
_refine_ls_wR_factor_gt          0.2454
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      0.992
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.52921(5) 0.500000 0.24229(7) 0.0821(7) Uani 1 2 d S TU P . .
Cu2 Cu 0.53870(5) 0.500000 0.15566(7) 0.0944(7) Uani 1 2 d S TU P . .
Cu3 Cu 0.35322(4) 0.62934(6) 0.27029(6) 0.1071(6) Uani 1 1 d . U . . .
Cu4 Cu 0.30791(5) 0.67417(8) 0.19483(7) 0.1283(8) Uani 1 1 d . U . . .
Cu5 Cu 0.32710(3) 0.63306(4) 0.53028(5) 0.0805(5) Uani 1 1 d . U . . .
Cu6 Cu 0.27055(3) 0.67689(5) 0.54230(6) 0.0849(5) Uani 1 1 d . U . . .
Cu7 Cu 0.500000 0.76089(7) 0.500000 0.1020(8) Uani 1 2 d S TU P . .
Cu8 Cu 0.500000 0.84809(8) 0.500000 0.1191(9) Uani 1 2 d S TU P . .
O1 O 0.65568(16) 0.6247(2) 0.3979(2) 0.0845(19) Uani 1 1 d . U . . .
O2 O 0.7037(2) 0.6616(2) 0.3875(3) 0.098(2) Uani 1 1 d . U . . .
O3 O 0.56774(17) 0.5454(2) 0.2584(2) 0.0916(19) Uani 1 1 d . U . . .
O4 O 0.57612(19) 0.5450(3) 0.1838(3) 0.104(2) Uani 1 1 d . U . . .
O5 O 0.6790(4) 0.6534(5) 0.2059(4) 0.226(5) Uani 1 1 d . U . . .
C1 C 0.6749(3) 0.6387(3) 0.3736(4) 0.085(3) Uani 1 1 d . U . . .
C2 C 0.6592(3) 0.6296(4) 0.3185(5) 0.102(3) Uani 1 1 d . U . . .
C3 C 0.6754(4) 0.6479(5) 0.2869(5) 0.138(4) Uani 1 1 d . U . . .
H3 H 0.696173 0.667240 0.299585 0.165 Uiso 1 1 calc R U . . .
C4 C 0.6617(5) 0.6384(6) 0.2375(6) 0.165(5) Uani 1 1 d . U . . .
C5 C 0.6306(4) 0.6099(5) 0.2175(5) 0.145(4) Uani 1 1 d . U . . .
H5 H 0.620535 0.604407 0.182897 0.174 Uiso 1 1 calc R U . . .
C6 C 0.6154(3) 0.5902(4) 0.2493(4) 0.100(3) Uani 1 1 d . U . . .
C7 C 0.6288(3) 0.6006(4) 0.2982(4) 0.093(3) Uani 1 1 d . U . . .
H7 H 0.617278 0.587873 0.319476 0.112 Uiso 1 1 calc R U . . .
C8 C 0.5848(3) 0.5565(4) 0.2280(5) 0.094(3) Uani 1 1 d . U . . .
C9 C 0.7086(7) 0.6820(9) 0.2256(8) 0.275(11) Uani 1 1 d . U . . .
O1_1 O 0.49131(17) 0.5447(2) 0.2131(3) 0.092(2) Uani 1 1 d . U . . .
O2_1 O 0.49981(18) 0.5456(3) 0.1396(2) 0.108(2) Uani 1 1 d . U . . .
O3_1 O 0.3843(2) 0.6227(3) 0.2296(3) 0.120(3) Uani 1 1 d . U . . .
O4_1 O 0.3459(2) 0.6627(3) 0.1643(3) 0.138(3) Uani 1 1 d . U . . .
O5_1 O 0.4069(5) 0.6540(6) 0.0367(5) 0.288(8) Uani 1 1 d . U . . .
C1_1 C 0.4836(3) 0.5567(4) 0.1695(5) 0.097(3) Uani 1 1 d . U . . .
C2_1 C 0.4525(3) 0.5907(4) 0.1496(4) 0.114(3) Uani 1 1 d . U . . .
C3_1 C 0.4454(4) 0.6103(6) 0.1041(5) 0.161(5) Uani 1 1 d . U . . .
H3_1 H 0.461916 0.605015 0.086393 0.193 Uiso 1 1 calc R U . . .
C4_1 C 0.4155(5) 0.6367(6) 0.0841(6) 0.184(5) Uani 1 1 d . U . . .
C5_1 C 0.3912(4) 0.6464(5) 0.1110(5) 0.162(5) Uani 1 1 d . U . . .
H5_1 H 0.370117 0.665149 0.097280 0.194 Uiso 1 1 calc R U . . .
C6_1 C 0.3991(4) 0.6278(5) 0.1577(5) 0.131(4) Uani 1 1 d . U . . .
C7_1 C 0.4291(3) 0.5998(4) 0.1757(4) 0.109(3) Uani 1 1 d . U . . .
H7_1 H 0.433765 0.586199 0.207045 0.131 Uiso 1 1 calc R U . . .
C8_1 C 0.3753(4) 0.6387(5) 0.1876(5) 0.125(4) Uani 1 1 d . U . . .
O0_2 O 0.3229(2) 0.5792(3) 0.2369(3) 0.116(2) Uani 1 1 d . U . . .
O1_2 O 0.2841(2) 0.6167(4) 0.1723(3) 0.138(3) Uani 1 1 d . U . . .
O2_2 O 0.2022(4) 0.500000 0.0619(6) 0.219(7) Uani 1 2 d S TU P . .
C1_2 C 0.2971(4) 0.5835(5) 0.1949(5) 0.113(4) Uani 1 1 d D U . . .
C2_2 C 0.2786(4) 0.5405(5) 0.1727(5) 0.124(4) Uani 1 1 d D U . . .
C3_2 C 0.2482(4) 0.5422(6) 0.1289(5) 0.149(5) Uani 1 1 d . U . . .
H3_2 H 0.238130 0.569101 0.113038 0.179 Uiso 1 1 calc R U . . .
C4_2 C 0.2334(7) 0.500000 0.1097(9) 0.169(7) Uani 1 2 d S TU P . .
C5_2 C 0.2932(5) 0.500000 0.1946(6) 0.116(5) Uani 1 2 d S TU P . .
H5_2 H 0.313583 0.500000 0.225099 0.139 Uiso 1 2 calc R U P . .
O1_3 O 0.3176(2) 0.6426(3) 0.3017(3) 0.109(2) Uani 1 1 d . U . . .
O2_3 O 0.2784(2) 0.6812(3) 0.2364(3) 0.126(3) Uani 1 1 d . U . . .
O3_3 O 0.29995(18) 0.6482(2) 0.4601(2) 0.0868(19) Uani 1 1 d . U . . .
O4_3 O 0.25377(16) 0.6851(2) 0.4720(2) 0.0827(19) Uani 1 1 d . U . . .
O5_3 O 0.1800(2) 0.7381(3) 0.2964(3) 0.150(3) Uani 1 1 d . U . . .
C1_3 C 0.2887(3) 0.6674(4) 0.2798(5) 0.107(3) Uani 1 1 d . U . . .
C2_3 C 0.2653(3) 0.6786(4) 0.3133(5) 0.096(3) Uani 1 1 d . U . . .
C3_3 C 0.2329(3) 0.7025(4) 0.2909(5) 0.115(4) Uani 1 1 d . U . . .
H3_3 H 0.224782 0.710142 0.256838 0.138 Uiso 1 1 calc R U . . .
C4_3 C 0.2125(3) 0.7150(4) 0.3215(5) 0.116(3) Uani 1 1 d . U . . .
C5_3 C 0.2252(3) 0.7060(3) 0.3704(4) 0.089(3) Uani 1 1 d . U . . .
H5_3 H 0.212013 0.716465 0.390738 0.107 Uiso 1 1 calc R U . . .
C6_3 C 0.2570(3) 0.6817(3) 0.3905(4) 0.080(3) Uani 1 1 d . U . . .
C7_3 C 0.2765(3) 0.6679(3) 0.3623(5) 0.091(3) Uani 1 1 d . U . . .
H7_3 H 0.298293 0.650420 0.376670 0.109 Uiso 1 1 calc R U . . .
C8_3 C 0.2723(3) 0.6719(3) 0.4472(4) 0.076(3) Uani 1 1 d . U . . .
C9_3 C 0.1523(3) 0.7418(5) 0.3195(5) 0.152(3) Uani 1 1 d . U . . .
H9A_3 H 0.158723 0.766693 0.343141 0.182 Uiso 1 1 calc R U . . .
H9B_3 H 0.152173 0.714456 0.338230 0.182 Uiso 1 1 calc R U . . .
C10_3 C 0.1127(4) 0.7494(6) 0.2803(5) 0.167(3) Uani 1 1 d . U . . .
O1_4 O 0.29655(17) 0.5807(2) 0.5231(2) 0.0866(19) Uani 1 1 d . U . . .
O2_4 O 0.24833(17) 0.6173(2) 0.5324(3) 0.099(2) Uani 1 1 d . U . . .
O3_4 O 0.1501(4) 0.500000 0.5094(7) 0.201(7) Uani 1 2 d S TU P . .
C1_4 C 0.2654(3) 0.5830(4) 0.5269(4) 0.088(3) Uani 1 1 d . U . . .
C2_4 C 0.2442(3) 0.5393(3) 0.5213(4) 0.091(3) Uani 1 1 d . U . . .
C3_4 C 0.2069(3) 0.5399(4) 0.5169(5) 0.122(4) Uani 1 1 d . U . . .
H3_4 H 0.194149 0.567068 0.515594 0.146 Uiso 1 1 calc R U . . .
C4_4 C 0.1886(5) 0.500000 0.5144(8) 0.136(6) Uani 1 2 d S TU P . .
C5_4 C 0.2623(4) 0.500000 0.5228(5) 0.085(4) Uani 1 2 d S TU P . .
H5_4 H 0.287750 0.500000 0.524990 0.102 Uiso 1 2 calc R U P . .
O1_5 O 0.35130(16) 0.6910(2) 0.5394(3) 0.0886(19) Uani 1 1 d . U . . .
O2_5 O 0.30367(17) 0.7275(2) 0.5506(2) 0.0851(19) Uani 1 1 d . U . . .
O3_5 O 0.45806(18) 0.7680(2) 0.5238(3) 0.105(2) Uani 1 1 d . U . . .
O4_5 O 0.4587(2) 0.8426(3) 0.5251(3) 0.113(2) Uani 1 1 d . U . . .
O5_5 O 0.35213(19) 0.8862(3) 0.5736(3) 0.117(2) Uani 1 1 d . U . . .
C1_5 C 0.3348(3) 0.7252(3) 0.5452(4) 0.081(3) Uani 1 1 d . U . . .
C2_5 C 0.3568(3) 0.7675(3) 0.5485(4) 0.086(3) Uani 1 1 d . U . . .
C3_5 C 0.3426(3) 0.8077(4) 0.5579(4) 0.090(3) Uani 1 1 d . U . . .
H3_5 H 0.318925 0.808397 0.561920 0.108 Uiso 1 1 calc R U . . .
C4_5 C 0.3620(3) 0.8460(4) 0.5614(4) 0.097(3) Uani 1 1 d . U . . .
C5_5 C 0.3964(3) 0.8443(4) 0.5511(4) 0.100(3) Uani 1 1 d . U . . .
H5_5 H 0.409432 0.870868 0.550497 0.120 Uiso 1 1 calc R U . . .
C6_5 C 0.4100(3) 0.8056(4) 0.5425(4) 0.091(3) Uani 1 1 d . U . . .
C7_5 C 0.3915(3) 0.7668(4) 0.5423(4) 0.090(3) Uani 1 1 d . U . . .
H7_5 H 0.402258 0.739587 0.537933 0.108 Uiso 1 1 calc R U . . .
C8_5 C 0.4452(3) 0.8059(4) 0.5288(5) 0.101(3) Uani 1 1 d . U . . .
C9_5 C 0.3227(3) 0.8868(4) 0.5938(5) 0.117(4) Uani 1 1 d . U . . .
H9A_5 H 0.326788 0.863984 0.619727 0.141 Uiso 1 1 calc R U . . .
H9B_5 H 0.298160 0.881618 0.567639 0.141 Uiso 1 1 calc R U . . .
C10_5 C 0.3244(4) 0.9336(5) 0.6162(7) 0.177(6) Uani 1 1 d . U . . .
O1_6 O 0.4649(2) 0.7664(3) 0.4327(3) 0.117(2) Uani 1 1 d . U . . .
O2_6 O 0.4649(2) 0.8411(3) 0.4320(4) 0.133(3) Uani 1 1 d . U . . .
O3_6 O 0.3764(2) 0.6855(3) 0.2929(3) 0.120(3) Uani 1 1 d . U . . .
O4_6 O 0.3365(3) 0.7241(3) 0.2272(4) 0.138(3) Uani 1 1 d . U . . .
O5_6 O 0.3753(4) 0.8857(5) 0.2658(5) 0.240(6) Uani 1 1 d . U . . .
C1_6 C 0.4539(3) 0.8031(5) 0.4138(5) 0.105(3) Uani 1 1 d D U . . .
C2_6 C 0.4249(3) 0.8030(5) 0.3616(5) 0.116(4) Uani 1 1 d D U . . .
C3_6 C 0.4136(4) 0.8418(5) 0.3370(7) 0.146(4) Uani 1 1 d . U . . .
H3_6 H 0.424969 0.868359 0.352627 0.176 Uiso 1 1 calc R U . . .
C4_6 C 0.3867(5) 0.8446(7) 0.2907(8) 0.169(5) Uani 1 1 d . U . . .
C5_6 C 0.3702(4) 0.8036(6) 0.2673(6) 0.152(5) Uani 1 1 d . U . . .
H5_6 H 0.351608 0.803245 0.235237 0.183 Uiso 1 1 calc R U . . .
C6_6 C 0.3826(4) 0.7647(5) 0.2935(6) 0.118(4) Uani 1 1 d . U . . .
C7_6 C 0.4091(4) 0.7639(5) 0.3399(5) 0.117(4) Uani 1 1 d . U . . .
H7_6 H 0.416539 0.736746 0.356977 0.141 Uiso 1 1 calc R U . . .
C8_6 C 0.3635(4) 0.7214(6) 0.2698(6) 0.116(4) Uani 1 1 d . U . . .
O1_7 O 0.5323(5) 0.500000 0.3180(5) 0.171(6) Uani 1 2 d S T P . .
O2_7 O 0.5459(2) 0.500000 0.0841(3) 0.117(4) Uani 1 2 d S T P . .
O3_7 O 0.3909(2) 0.5892(4) 0.3266(4) 0.196(5) Uani 1 1 d . . . . .
O4_7 O 0.2721(3) 0.7113(4) 0.1309(4) 0.176(4) Uani 1 1 d . . . . .
O5_7 O 0.37309(18) 0.6030(3) 0.5130(4) 0.165(4) Uani 1 1 d . . . . .
O6_7 O 0.22467(19) 0.7053(2) 0.5596(3) 0.103(2) Uani 1 1 d . U . . .
O7_7 O 0.500000 0.6897(4) 0.500000 0.189(7) Uani 1 2 d S T P . .
O8_7 O 0.500000 0.9168(4) 0.500000 0.239(10) Uani 1 2 d S T P . .
N1_7 N 0.1898(4) 0.7098(5) 0.6073(6) 0.191(5) Uani 1 1 d D U . . .
C1_7 C 0.2188(4) 0.6969(5) 0.5921(7) 0.168(5) Uani 1 1 d . U . . .
H1_7 H 0.236338 0.677485 0.614173 0.201 Uiso 1 1 calc R U . . .
C2_7 C 0.1952(5) 0.7058(7) 0.6657(8) 0.238(8) Uani 1 1 d . U . . .
H2A_7 H 0.181639 0.729878 0.674784 0.357 Uiso 1 1 calc R U . . .
H2B_7 H 0.221785 0.707801 0.685595 0.357 Uiso 1 1 calc R U . . .
H2C_7 H 0.185276 0.677461 0.671815 0.357 Uiso 1 1 calc R U . . .
C3_7 C 0.1644(3) 0.7432(4) 0.5842(5) 0.139(5) Uani 1 1 d D U . . .
H3A_7 H 0.146294 0.746696 0.601204 0.167 Uiso 1 1 calc R U . . .
H3B_7 H 0.177850 0.770966 0.585776 0.167 Uiso 1 1 calc R U . . .
H3C_7 H 0.151167 0.735245 0.549567 0.167 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 1.946(7) 6_565 ?
Cu1 O1_1 1.946(7) . ?
Cu1 O3 1.948(7) . ?
Cu1 O3 1.948(7) 6_565 ?
Cu1 O1_7 2.145(11) . ?
Cu1 Cu2 2.644(3) . ?
Cu2 O4 1.938(8) . ?
Cu2 O4 1.938(7) 6_565 ?
Cu2 O2_1 1.962(7) 6_565 ?
Cu2 O2_1 1.962(7) . ?
Cu2 O2_7 2.172(9) . ?
Cu3 O1_3 1.921(7) . ?
Cu3 O3_6 1.924(10) . ?
Cu3 O3_1 1.945(7) . ?
Cu3 O0_2 1.951(9) . ?
Cu3 O3_7 2.135(8) . ?
Cu3 Cu4 2.637(2) . ?
Cu4 O4_6 1.909(11) . ?
Cu4 O2_3 1.920(8) . ?
Cu4 O1_2 1.968(11) . ?
Cu4 O4_1 1.970(8) . ?
Cu4 O4_7 2.187(8) . ?
Cu5 O1_4 1.939(6) . ?
Cu5 O1 1.957(7) 2_656 ?
Cu5 O1_5 1.959(6) . ?
Cu5 O3_3 1.980(7) . ?
Cu5 O5_7 2.183(6) . ?
Cu5 Cu6 2.6577(16) . ?
Cu6 O4_3 1.917(7) . ?
Cu6 O2_5 1.950(6) . ?
Cu6 O2 1.972(7) 2_656 ?
Cu6 O2_4 1.975(7) . ?
Cu6 O6_7 2.158(7) . ?
Cu7 O1_6 1.944(9) 2_656 ?
Cu7 O1_6 1.944(9) . ?
Cu7 O3_5 1.961(6) 2_656 ?
Cu7 O3_5 1.961(6) . ?
Cu7 O7_7 2.157(12) . ?
Cu7 Cu8 2.644(3) . ?
Cu8 O4_5 1.956(6) . ?
Cu8 O4_5 1.956(7) 2_656 ?
Cu8 O2_6 1.964(11) . ?
Cu8 O2_6 1.964(11) 2_656 ?
Cu8 O8_7 2.083(14) . ?
O1 C1 1.252(11) . ?
O2 C1 1.243(11) . ?
O3 C8 1.303(11) . ?
O4 C8 1.248(12) . ?
O5 C4 1.373(15) . ?
O5 C9 1.38(2) . ?
C1 C2 1.515(14) . ?
C2 C3 1.382(15) . ?
C2 C7 1.412(14) . ?
C3 C4 1.366(17) . ?
C3 H3 0.9500 . ?
C4 C5 1.419(17) . ?
C5 C6 1.380(15) . ?
C5 H5 0.9500 . ?
C6 C7 1.360(13) . ?
C6 C8 1.512(15) . ?
C7 H7 0.9500 . ?
O1_1 C1_1 1.240(11) . ?
O2_1 C1_1 1.270(11) . ?
O3_1 C8_1 1.236(13) . ?
O4_1 C8_1 1.311(13) . ?
O5_1 C4_1 1.394(17) . ?
C1_1 C2_1 1.524(15) . ?
C2_1 C3_1 1.378(16) . ?
C2_1 C7_1 1.383(14) . ?
C3_1 C4_1 1.349(18) . ?
C3_1 H3_1 0.9500 . ?
C4_1 C5_1 1.432(18) . ?
C5_1 C6_1 1.392(16) . ?
C5_1 H5_1 0.9500 . ?
C6_1 C7_1 1.374(14) . ?
C6_1 C8_1 1.492(16) . ?
C7_1 H7_1 0.9500 . ?
O0_2 C1_2 1.273(14) . ?
O1_2 C1_2 1.208(14) . ?
O2_2 C4_2 1.48(3) . ?
C1_2 C2_2 1.515(12) . ?
C2_2 C3_2 1.386(18) . ?
C2_2 C5_2 1.403(15) . ?
C3_2 C4_2 1.430(17) . ?
C3_2 H3_2 0.9500 . ?
C5_2 H5_2 0.9500 . ?
O1_3 C1_3 1.301(12) . ?
O2_3 C1_3 1.247(12) . ?
O3_3 C8_3 1.226(10) . ?
O4_3 C8_3 1.232(10) . ?
O5_3 C4_3 1.389(13) . ?
O5_3 C9_3 1.434(13) . ?
C1_3 C2_3 1.563(15) . ?
C2_3 C7_3 1.365(13) . ?
C2_3 C3_3 1.385(14) . ?
C3_3 C4_3 1.415(15) . ?
C3_3 H3_3 0.9500 . ?
C4_3 C5_3 1.350(14) . ?
C5_3 C6_3 1.365(13) . ?
C5_3 H5_3 0.9500 . ?
C6_3 C7_3 1.345(13) . ?
C6_3 C8_3 1.560(14) . ?
C7_3 H7_3 0.9500 . ?
C9_3 C10_3 1.557(16) . ?
C9_3 H9A_3 0.9900 . ?
C9_3 H9B_3 0.9900 . ?
O1_4 C1_4 1.232(10) . ?
O2_4 C1_4 1.266(11) . ?
O3_4 C4_4 1.425(19) . ?
C1_4 C2_4 1.531(13) . ?
C2_4 C5_4 1.369(11) . ?
C2_4 C3_4 1.387(13) . ?
C3_4 C4_4 1.387(12) . ?
C3_4 H3_4 0.9500 . ?
C5_4 H5_4 0.9500 . ?
O1_5 C1_5 1.254(10) . ?
O2_5 C1_5 1.253(10) . ?
O3_5 C8_5 1.274(11) . ?
O4_5 C8_5 1.246(12) . ?
O5_5 C4_5 1.359(12) . ?
O5_5 C9_5 1.434(11) . ?
C1_5 C2_5 1.520(13) . ?
C2_5 C7_5 1.397(12) . ?
C2_5 C3_5 1.399(12) . ?
C3_5 C4_5 1.360(13) . ?
C3_5 H3_5 0.9500 . ?
C4_5 C5_5 1.440(13) . ?
C5_5 C6_5 1.342(13) . ?
C5_5 H5_5 0.9500 . ?
C6_5 C7_5 1.371(13) . ?
C6_5 C8_5 1.528(14) . ?
C7_5 H7_5 0.9500 . ?
C9_5 C10_5 1.549(17) . ?
C9_5 H9A_5 0.9900 . ?
C9_5 H9B_5 0.9900 . ?
O1_6 C1_6 1.248(13) . ?
O2_6 C1_6 1.275(14) . ?
O3_6 C8_6 1.283(15) . ?
O4_6 C8_6 1.301(15) . ?
O5_6 C4_6 1.43(2) . ?
C1_6 C2_6 1.527(12) . ?
C2_6 C3_6 1.366(18) . ?
C2_6 C7_6 1.377(17) . ?
C3_6 C4_6 1.37(2) . ?
C3_6 H3_6 0.9500 . ?
C4_6 C5_6 1.45(2) . ?
C5_6 C6_6 1.391(18) . ?
C5_6 H5_6 0.9500 . ?
C6_6 C7_6 1.369(17) . ?
C6_6 C8_6 1.542(19) . ?
C7_6 H7_6 0.9500 . ?
O6_7 C1_7 1.068(15) . ?
N1_7 C1_7 1.380(16) . ?
N1_7 C3_7 1.401(11) . ?
N1_7 C2_7 1.63(2) . ?
C1_7 H1_7 0.9500 . ?
C2_7 H2A_7 0.9800 . ?
C2_7 H2B_7 0.9800 . ?
C2_7 H2C_7 0.9800 . ?
C3_7 H3A_7 0.9800 . ?
C3_7 H3B_7 0.9800 . ?
C3_7 H3C_7 0.9800 . ?

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_1 Cu1 O1_1 88.2(4) 6_565 . ?
O1_1 Cu1 O3 168.5(3) 6_565 . ?
O1_1 Cu1 O3 89.9(3) . . ?
O1_1 Cu1 O3 89.9(3) 6_565 6_565 ?
O1_1 Cu1 O3 168.5(3) . 6_565 ?
O3 Cu1 O3 89.8(4) . 6_565 ?
O1_1 Cu1 O1_7 102.1(4) 6_565 . ?
O1_1 Cu1 O1_7 102.1(4) . . ?
O3 Cu1 O1_7 89.3(4) . . ?
O3 Cu1 O1_7 89.3(4) 6_565 . ?
O1_1 Cu1 Cu2 85.2(2) 6_565 . ?
O1_1 Cu1 Cu2 85.2(2) . . ?
O3 Cu1 Cu2 83.4(2) . . ?
O3 Cu1 Cu2 83.4(2) 6_565 . ?
O1_7 Cu1 Cu2 169.7(5) . . ?
O4 Cu2 O4 89.5(4) . 6_565 ?
O4 Cu2 O2_1 169.1(3) . 6_565 ?
O4 Cu2 O2_1 89.4(3) 6_565 6_565 ?
O4 Cu2 O2_1 89.4(3) . . ?
O4 Cu2 O2_1 169.1(3) 6_565 . ?
O2_1 Cu2 O2_1 89.6(5) 6_565 . ?
O4 Cu2 O2_7 94.6(3) . . ?
O4 Cu2 O2_7 94.6(3) 6_565 . ?
O2_1 Cu2 O2_7 96.3(3) 6_565 . ?
O2_1 Cu2 O2_7 96.3(3) . . ?
O4 Cu2 Cu1 85.8(2) . . ?
O4 Cu2 Cu1 85.8(2) 6_565 . ?
O2_1 Cu2 Cu1 83.3(2) 6_565 . ?
O2_1 Cu2 Cu1 83.3(2) . . ?
O2_7 Cu2 Cu1 179.4(3) . . ?
O1_3 Cu3 O3_6 88.3(3) . . ?
O1_3 Cu3 O3_1 170.2(3) . . ?
O3_6 Cu3 O3_1 89.5(3) . . ?
O1_3 Cu3 O0_2 90.0(3) . . ?
O3_6 Cu3 O0_2 168.7(3) . . ?
O3_1 Cu3 O0_2 90.2(3) . . ?
O1_3 Cu3 O3_7 99.3(4) . . ?
O3_6 Cu3 O3_7 97.9(4) . . ?
O3_1 Cu3 O3_7 90.5(4) . . ?
O0_2 Cu3 O3_7 93.4(4) . . ?
O1_3 Cu3 Cu4 84.9(2) . . ?
O3_6 Cu3 Cu4 85.2(2) . . ?
O3_1 Cu3 Cu4 85.3(2) . . ?
O0_2 Cu3 Cu4 83.6(2) . . ?
O3_7 Cu3 Cu4 174.8(4) . . ?
O4_6 Cu4 O2_3 88.2(4) . . ?
O4_6 Cu4 O1_2 169.4(4) . . ?
O2_3 Cu4 O1_2 90.0(4) . . ?
O4_6 Cu4 O4_1 88.4(4) . . ?
O2_3 Cu4 O4_1 168.6(3) . . ?
O1_2 Cu4 O4_1 91.3(4) . . ?
O4_6 Cu4 O4_7 95.0(4) . . ?
O2_3 Cu4 O4_7 98.0(3) . . ?
O1_2 Cu4 O4_7 95.5(4) . . ?
O4_1 Cu4 O4_7 93.2(3) . . ?
O4_6 Cu4 Cu3 84.6(3) . . ?
O2_3 Cu4 Cu3 84.4(2) . . ?
O1_2 Cu4 Cu3 84.9(3) . . ?
O4_1 Cu4 Cu3 84.5(2) . . ?
O4_7 Cu4 Cu3 177.6(3) . . ?
O1_4 Cu5 O1 88.6(3) . 2_656 ?
O1_4 Cu5 O1_5 170.7(3) . . ?
O1 Cu5 O1_5 90.2(3) 2_656 . ?
O1_4 Cu5 O3_3 89.9(3) . . ?
O1 Cu5 O3_3 167.0(3) 2_656 . ?
O1_5 Cu5 O3_3 89.1(3) . . ?
O1_4 Cu5 O5_7 97.8(3) . . ?
O1 Cu5 O5_7 100.7(3) 2_656 . ?
O1_5 Cu5 O5_7 91.5(3) . . ?
O3_3 Cu5 O5_7 92.3(3) . . ?
O1_4 Cu5 Cu6 86.44(18) . . ?
O1 Cu5 Cu6 85.23(18) 2_656 . ?
O1_5 Cu5 Cu6 84.29(18) . . ?
O3_3 Cu5 Cu6 81.78(18) . . ?
O5_7 Cu5 Cu6 172.8(3) . . ?
O4_3 Cu6 O2_5 89.5(3) . . ?
O4_3 Cu6 O2 168.1(3) . 2_656 ?
O2_5 Cu6 O2 89.3(3) . 2_656 ?
O4_3 Cu6 O2_4 89.8(3) . . ?
O2_5 Cu6 O2_4 165.0(3) . . ?
O2 Cu6 O2_4 88.2(3) 2_656 . ?
O4_3 Cu6 O6_7 101.1(3) . . ?
O2_5 Cu6 O6_7 101.6(3) . . ?
O2 Cu6 O6_7 90.7(3) 2_656 . ?
O2_4 Cu6 O6_7 93.2(3) . . ?
O4_3 Cu6 Cu5 85.15(18) . . ?
O2_5 Cu6 Cu5 83.60(17) . . ?
O2 Cu6 Cu5 83.0(2) 2_656 . ?
O2_4 Cu6 Cu5 81.41(19) . . ?
O6_7 Cu6 Cu5 171.8(2) . . ?
O1_6 Cu7 O1_6 170.2(5) 2_656 . ?
O1_6 Cu7 O3_5 88.7(3) 2_656 2_656 ?
O1_6 Cu7 O3_5 90.2(3) . 2_656 ?
O1_6 Cu7 O3_5 90.2(3) 2_656 . ?
O1_6 Cu7 O3_5 88.7(3) . . ?
O3_5 Cu7 O3_5 167.3(5) 2_656 . ?
O1_6 Cu7 O7_7 94.9(3) 2_656 . ?
O1_6 Cu7 O7_7 94.9(3) . . ?
O3_5 Cu7 O7_7 96.3(2) 2_656 . ?
O3_5 Cu7 O7_7 96.3(2) . . ?
O1_6 Cu7 Cu8 85.1(3) 2_656 . ?
O1_6 Cu7 Cu8 85.1(3) . . ?
O3_5 Cu7 Cu8 83.7(2) 2_656 . ?
O3_5 Cu7 Cu8 83.7(2) . . ?
O7_7 Cu7 Cu8 180.0 . . ?
O4_5 Cu8 O4_5 170.2(5) . 2_656 ?
O4_5 Cu8 O2_6 90.1(3) . . ?
O4_5 Cu8 O2_6 88.8(3) 2_656 . ?
O4_5 Cu8 O2_6 88.8(3) . 2_656 ?
O4_5 Cu8 O2_6 90.1(3) 2_656 2_656 ?
O2_6 Cu8 O2_6 167.7(6) . 2_656 ?
O4_5 Cu8 O8_7 94.9(2) . . ?
O4_5 Cu8 O8_7 94.9(2) 2_656 . ?
O2_6 Cu8 O8_7 96.2(3) . . ?
O2_6 Cu8 O8_7 96.2(3) 2_656 . ?
O4_5 Cu8 Cu7 85.1(2) . . ?
O4_5 Cu8 Cu7 85.1(2) 2_656 . ?
O2_6 Cu8 Cu7 83.8(3) . . ?
O2_6 Cu8 Cu7 83.8(3) 2_656 . ?
O8_7 Cu8 Cu7 180.0 . . ?
C1 O1 Cu5 120.1(6) . 2_656 ?
C1 O2 Cu6 122.2(7) . 2_656 ?
C8 O3 Cu1 122.3(7) . . ?
C8 O4 Cu2 121.3(7) . . ?
C4 O5 C9 116.5(13) . . ?
O2 C1 O1 129.2(10) . . ?
O2 C1 C2 115.1(9) . . ?
O1 C1 C2 115.5(9) . . ?
C3 C2 C7 118.1(11) . . ?
C3 C2 C1 120.8(11) . . ?
C7 C2 C1 121.1(10) . . ?
C4 C3 C2 120.3(12) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 O5 121.6(13) . . ?
C3 C4 C5 121.1(12) . . ?
O5 C4 C5 117.2(14) . . ?
C6 C5 C4 118.7(12) . . ?
C6 C5 H5 120.7 . . ?
C4 C5 H5 120.7 . . ?
C7 C6 C5 119.7(11) . . ?
C7 C6 C8 122.4(10) . . ?
C5 C6 C8 117.8(11) . . ?
C6 C7 C2 122.1(10) . . ?
C6 C7 H7 118.9 . . ?
C2 C7 H7 118.9 . . ?
O4 C8 O3 126.5(10) . . ?
O4 C8 C6 119.8(10) . . ?
O3 C8 C6 113.4(10) . . ?
C1_1 O1_1 Cu1 121.5(6) . . ?
C1_1 O2_1 Cu2 122.3(7) . . ?
C8_1 O3_1 Cu3 122.0(7) . . ?
C8_1 O4_1 Cu4 120.1(7) . . ?
O1_1 C1_1 O2_1 127.5(10) . . ?
O1_1 C1_1 C2_1 117.5(9) . . ?
O2_1 C1_1 C2_1 115.0(10) . . ?
C3_1 C2_1 C7_1 118.8(11) . . ?
C3_1 C2_1 C1_1 121.3(11) . . ?
C7_1 C2_1 C1_1 119.7(10) . . ?
C4_1 C3_1 C2_1 121.3(13) . . ?
C4_1 C3_1 H3_1 119.4 . . ?
C2_1 C3_1 H3_1 119.4 . . ?
C3_1 C4_1 O5_1 121.3(14) . . ?
C3_1 C4_1 C5_1 120.3(14) . . ?
O5_1 C4_1 C5_1 118.4(15) . . ?
C6_1 C5_1 C4_1 118.3(12) . . ?
C6_1 C5_1 H5_1 120.9 . . ?
C4_1 C5_1 H5_1 120.9 . . ?
C7_1 C6_1 C5_1 119.4(11) . . ?
C7_1 C6_1 C8_1 120.8(11) . . ?
C5_1 C6_1 C8_1 119.8(12) . . ?
C6_1 C7_1 C2_1 121.8(10) . . ?
C6_1 C7_1 H7_1 119.1 . . ?
C2_1 C7_1 H7_1 119.1 . . ?
O3_1 C8_1 O4_1 128.1(10) . . ?
O3_1 C8_1 C6_1 117.5(11) . . ?
O4_1 C8_1 C6_1 114.3(11) . . ?
C1_2 O0_2 Cu3 121.3(9) . . ?
C1_2 O1_2 Cu4 120.3(10) . . ?
O1_2 C1_2 O0_2 129.3(15) . . ?
O1_2 C1_2 C2_2 116.6(14) . . ?
O0_2 C1_2 C2_2 114.0(14) . . ?
C3_2 C2_2 C5_2 121.2(16) . . ?
C3_2 C2_2 C1_2 118.1(15) . . ?
C5_2 C2_2 C1_2 120.6(14) . . ?
C2_2 C3_2 C4_2 114.3(19) . . ?
C2_2 C3_2 H3_2 122.8 . . ?
C4_2 C3_2 H3_2 122.8 . . ?
C3_2 C4_2 C3_2 127(2) . 6_565 ?
C3_2 C4_2 O2_2 116.4(12) . . ?
C3_2 C4_2 O2_2 116.4(12) 6_565 . ?
C2_2 C5_2 C2_2 121.9(19) 6_565 . ?
C2_2 C5_2 H5_2 119.1 6_565 . ?
C2_2 C5_2 H5_2 119.1 . . ?
C1_3 O1_3 Cu3 120.8(7) . . ?
C1_3 O2_3 Cu4 122.7(7) . . ?
C8_3 O3_3 Cu5 122.4(7) . . ?
C8_3 O4_3 Cu6 121.5(6) . . ?
C4_3 O5_3 C9_3 117.7(10) . . ?
O2_3 C1_3 O1_3 126.8(11) . . ?
O2_3 C1_3 C2_3 119.9(11) . . ?
O1_3 C1_3 C2_3 113.3(11) . . ?
C7_3 C2_3 C3_3 121.1(10) . . ?
C7_3 C2_3 C1_3 123.0(10) . . ?
C3_3 C2_3 C1_3 115.8(11) . . ?
C2_3 C3_3 C4_3 116.4(11) . . ?
C2_3 C3_3 H3_3 121.8 . . ?
C4_3 C3_3 H3_3 121.8 . . ?
C5_3 C4_3 O5_3 125.3(11) . . ?
C5_3 C4_3 C3_3 121.3(10) . . ?
O5_3 C4_3 C3_3 113.3(12) . . ?
C4_3 C5_3 C6_3 119.8(10) . . ?
C4_3 C5_3 H5_3 120.1 . . ?
C6_3 C5_3 H5_3 120.1 . . ?
C7_3 C6_3 C5_3 120.6(10) . . ?
C7_3 C6_3 C8_3 119.2(9) . . ?
C5_3 C6_3 C8_3 120.1(9) . . ?
C6_3 C7_3 C2_3 120.6(10) . . ?
C6_3 C7_3 H7_3 119.7 . . ?
C2_3 C7_3 H7_3 119.7 . . ?
O3_3 C8_3 O4_3 128.4(10) . . ?
O3_3 C8_3 C6_3 113.5(9) . . ?
O4_3 C8_3 C6_3 117.7(9) . . ?
O5_3 C9_3 C10_3 111.1(11) . . ?
O5_3 C9_3 H9A_3 109.4 . . ?
C10_3 C9_3 H9A_3 109.4 . . ?
O5_3 C9_3 H9B_3 109.4 . . ?
C10_3 C9_3 H9B_3 109.4 . . ?
H9A_3 C9_3 H9B_3 108.0 . . ?
C1_4 O1_4 Cu5 120.5(6) . . ?
C1_4 O2_4 Cu6 123.8(6) . . ?
O1_4 C1_4 O2_4 127.7(9) . . ?
O1_4 C1_4 C2_4 115.5(9) . . ?
O2_4 C1_4 C2_4 116.7(8) . . ?
C5_4 C2_4 C3_4 120.4(10) . . ?
C5_4 C2_4 C1_4 120.5(8) . . ?
C3_4 C2_4 C1_4 119.0(9) . . ?
C2_4 C3_4 C4_4 118.4(11) . . ?
C2_4 C3_4 H3_4 120.8 . . ?
C4_4 C3_4 H3_4 120.8 . . ?
C3_4 C4_4 C3_4 121.6(14) . 6_565 ?
C3_4 C4_4 O3_4 119.2(7) . . ?
C3_4 C4_4 O3_4 119.2(7) 6_565 . ?
C2_4 C5_4 C2_4 120.8(12) 6_565 . ?
C2_4 C5_4 H5_4 119.6 6_565 . ?
C2_4 C5_4 H5_4 119.6 . . ?
C1_5 O1_5 Cu5 121.6(6) . . ?
C1_5 O2_5 Cu6 122.8(6) . . ?
C8_5 O3_5 Cu7 122.0(6) . . ?
C8_5 O4_5 Cu8 121.1(7) . . ?
C4_5 O5_5 C9_5 116.5(8) . . ?
O1_5 C1_5 O2_5 127.3(9) . . ?
O1_5 C1_5 C2_5 114.5(8) . . ?
O2_5 C1_5 C2_5 118.1(9) . . ?
C7_5 C2_5 C3_5 119.1(9) . . ?
C7_5 C2_5 C1_5 120.5(9) . . ?
C3_5 C2_5 C1_5 120.4(8) . . ?
C4_5 C3_5 C2_5 121.2(9) . . ?
C4_5 C3_5 H3_5 119.4 . . ?
C2_5 C3_5 H3_5 119.4 . . ?
C3_5 C4_5 O5_5 126.1(9) . . ?
C3_5 C4_5 C5_5 117.9(10) . . ?
O5_5 C4_5 C5_5 116.0(10) . . ?
C6_5 C5_5 C4_5 120.5(10) . . ?
C6_5 C5_5 H5_5 119.8 . . ?
C4_5 C5_5 H5_5 119.8 . . ?
C5_5 C6_5 C7_5 121.3(9) . . ?
C5_5 C6_5 C8_5 118.5(10) . . ?
C7_5 C6_5 C8_5 120.0(10) . . ?
C6_5 C7_5 C2_5 119.7(9) . . ?
C6_5 C7_5 H7_5 120.1 . . ?
C2_5 C7_5 H7_5 120.1 . . ?
O4_5 C8_5 O3_5 127.5(10) . . ?
O4_5 C8_5 C6_5 116.9(10) . . ?
O3_5 C8_5 C6_5 115.5(10) . . ?
O5_5 C9_5 C10_5 104.8(9) . . ?
O5_5 C9_5 H9A_5 110.8 . . ?
C10_5 C9_5 H9A_5 110.8 . . ?
O5_5 C9_5 H9B_5 110.8 . . ?
C10_5 C9_5 H9B_5 110.8 . . ?
H9A_5 C9_5 H9B_5 108.9 . . ?
C1_6 O1_6 Cu7 121.5(9) . . ?
C1_6 O2_6 Cu8 121.3(9) . . ?
C8_6 O3_6 Cu3 121.8(9) . . ?
C8_6 O4_6 Cu4 122.8(10) . . ?
O1_6 C1_6 O2_6 128.0(13) . . ?
O1_6 C1_6 C2_6 116.5(13) . . ?
O2_6 C1_6 C2_6 115.5(14) . . ?
C3_6 C2_6 C7_6 119.8(15) . . ?
C3_6 C2_6 C1_6 120.0(15) . . ?
C7_6 C2_6 C1_6 120.2(14) . . ?
C2_6 C3_6 C4_6 123.5(18) . . ?
C2_6 C3_6 H3_6 118.3 . . ?
C4_6 C3_6 H3_6 118.3 . . ?
C3_6 C4_6 O5_6 122(2) . . ?
C3_6 C4_6 C5_6 117.2(19) . . ?
O5_6 C4_6 C5_6 120.4(19) . . ?
C6_6 C5_6 C4_6 117.6(17) . . ?
C6_6 C5_6 H5_6 121.2 . . ?
C4_6 C5_6 H5_6 121.2 . . ?
C7_6 C6_6 C5_6 122.8(17) . . ?
C7_6 C6_6 C8_6 119.6(14) . . ?
C5_6 C6_6 C8_6 117.5(16) . . ?
C6_6 C7_6 C2_6 119.1(14) . . ?
C6_6 C7_6 H7_6 120.4 . . ?
C2_6 C7_6 H7_6 120.4 . . ?
O3_6 C8_6 O4_6 125.3(15) . . ?
O3_6 C8_6 C6_6 117.1(14) . . ?
O4_6 C8_6 C6_6 117.6(14) . . ?
C1_7 O6_7 Cu6 122.9(10) . . ?
C1_7 N1_7 C3_7 123.6(12) . . ?
C1_7 N1_7 C2_7 118.7(14) . . ?
C3_7 N1_7 C2_7 111.2(12) . . ?
O6_7 C1_7 N1_7 130.4(15) . . ?
O6_7 C1_7 H1_7 114.8 . . ?
N1_7 C1_7 H1_7 114.8 . . ?
N1_7 C2_7 H2A_7 109.5 . . ?
N1_7 C2_7 H2B_7 109.5 . . ?
H2A_7 C2_7 H2B_7 109.5 . . ?
N1_7 C2_7 H2C_7 109.5 . . ?
H2A_7 C2_7 H2C_7 109.5 . . ?
H2B_7 C2_7 H2C_7 109.5 . . ?
N1_7 C3_7 H3A_7 109.5 . . ?
N1_7 C3_7 H3B_7 109.5 . . ?
H3A_7 C3_7 H3B_7 109.5 . . ?
N1_7 C3_7 H3C_7 109.5 . . ?
H3A_7 C3_7 H3C_7 109.5 . . ?
H3B_7 C3_7 H3C_7 109.5 . . ?

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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cu6 O2 C1 O1 6.3(15) 2_656 . . . ?
Cu6 O2 C1 C2 -179.0(7) 2_656 . . . ?
Cu5 O1 C1 O2 -6.5(15) 2_656 . . . ?
Cu5 O1 C1 C2 178.8(7) 2_656 . . . ?
O2 C1 C2 C3 -3.4(16) . . . . ?
O1 C1 C2 C3 172.1(11) . . . . ?
O2 C1 C2 C7 173.8(10) . . . . ?
O1 C1 C2 C7 -10.8(15) . . . . ?
C7 C2 C3 C4 1(2) . . . . ?
C1 C2 C3 C4 178.1(14) . . . . ?
C2 C3 C4 O5 -174.9(15) . . . . ?
C2 C3 C4 C5 0(3) . . . . ?
C9 O5 C4 C3 -6(3) . . . . ?
C9 O5 C4 C5 178.4(19) . . . . ?
C3 C4 C5 C6 -3(3) . . . . ?
O5 C4 C5 C6 172.6(15) . . . . ?
C4 C5 C6 C7 4(2) . . . . ?
C4 C5 C6 C8 -174.1(13) . . . . ?
C5 C6 C7 C2 -3.0(18) . . . . ?
C8 C6 C7 C2 175.1(10) . . . . ?
C3 C2 C7 C6 0.4(18) . . . . ?
C1 C2 C7 C6 -176.8(10) . . . . ?
Cu2 O4 C8 O3 -9.7(16) . . . . ?
Cu2 O4 C8 C6 177.2(7) . . . . ?
Cu1 O3 C8 O4 10.3(16) . . . . ?
Cu1 O3 C8 C6 -176.2(7) . . . . ?
C7 C6 C8 O4 -173.0(11) . . . . ?
C5 C6 C8 O4 5.2(17) . . . . ?
C7 C6 C8 O3 13.1(16) . . . . ?
C5 C6 C8 O3 -168.8(11) . . . . ?
Cu1 O1_1 C1_1 O2_1 -5.7(17) . . . . ?
Cu1 O1_1 C1_1 C2_1 177.9(7) . . . . ?
Cu2 O2_1 C1_1 O1_1 6.9(17) . . . . ?
Cu2 O2_1 C1_1 C2_1 -176.5(7) . . . . ?
O1_1 C1_1 C2_1 C3_1 171.3(13) . . . . ?
O2_1 C1_1 C2_1 C3_1 -5.5(18) . . . . ?
O1_1 C1_1 C2_1 C7_1 -13.7(17) . . . . ?
O2_1 C1_1 C2_1 C7_1 169.4(11) . . . . ?
C7_1 C2_1 C3_1 C4_1 -2(3) . . . . ?
C1_1 C2_1 C3_1 C4_1 172.8(16) . . . . ?
C2_1 C3_1 C4_1 O5_1 -175.5(18) . . . . ?
C2_1 C3_1 C4_1 C5_1 2(3) . . . . ?
C3_1 C4_1 C5_1 C6_1 0(3) . . . . ?
O5_1 C4_1 C5_1 C6_1 177.7(17) . . . . ?
C4_1 C5_1 C6_1 C7_1 -2(2) . . . . ?
C4_1 C5_1 C6_1 C8_1 177.5(16) . . . . ?
C5_1 C6_1 C7_1 C2_1 3(2) . . . . ?
C8_1 C6_1 C7_1 C2_1 -177.1(13) . . . . ?
C3_1 C2_1 C7_1 C6_1 0(2) . . . . ?
C1_1 C2_1 C7_1 C6_1 -175.4(12) . . . . ?
Cu3 O3_1 C8_1 O4_1 2(2) . . . . ?
Cu3 O3_1 C8_1 C6_1 -173.9(9) . . . . ?
Cu4 O4_1 C8_1 O3_1 -4(2) . . . . ?
Cu4 O4_1 C8_1 C6_1 172.4(9) . . . . ?
C7_1 C6_1 C8_1 O3_1 2(2) . . . . ?
C5_1 C6_1 C8_1 O3_1 -177.3(14) . . . . ?
C7_1 C6_1 C8_1 O4_1 -174.4(13) . . . . ?
C5_1 C6_1 C8_1 O4_1 6(2) . . . . ?
Cu4 O1_2 C1_2 O0_2 9.3(17) . . . . ?
Cu4 O1_2 C1_2 C2_2 -175.6(7) . . . . ?
Cu3 O0_2 C1_2 O1_2 -9.5(17) . . . . ?
Cu3 O0_2 C1_2 C2_2 175.3(7) . . . . ?
O1_2 C1_2 C2_2 C3_2 -0.7(17) . . . . ?
O0_2 C1_2 C2_2 C3_2 175.2(11) . . . . ?
O1_2 C1_2 C2_2 C5_2 175.7(12) . . . . ?
O0_2 C1_2 C2_2 C5_2 -8.4(17) . . . . ?
C5_2 C2_2 C3_2 C4_2 1(2) . . . . ?
C1_2 C2_2 C3_2 C4_2 177.7(14) . . . . ?
C2_2 C3_2 C4_2 C3_2 -5(3) . . . 6_565 ?
C2_2 C3_2 C4_2 O2_2 -177.4(14) . . . . ?
C3_2 C2_2 C5_2 C2_2 2(2) . . . 6_565 ?
C1_2 C2_2 C5_2 C2_2 -174.7(9) . . . 6_565 ?
Cu4 O2_3 C1_3 O1_3 -8.4(19) . . . . ?
Cu4 O2_3 C1_3 C2_3 173.5(8) . . . . ?
Cu3 O1_3 C1_3 O2_3 8.0(18) . . . . ?
Cu3 O1_3 C1_3 C2_3 -173.8(7) . . . . ?
O2_3 C1_3 C2_3 C7_3 -174.4(11) . . . . ?
O1_3 C1_3 C2_3 C7_3 7.3(17) . . . . ?
O2_3 C1_3 C2_3 C3_3 2.4(17) . . . . ?
O1_3 C1_3 C2_3 C3_3 -175.9(10) . . . . ?
C7_3 C2_3 C3_3 C4_3 0.1(18) . . . . ?
C1_3 C2_3 C3_3 C4_3 -176.7(11) . . . . ?
C9_3 O5_3 C4_3 C5_3 -19(2) . . . . ?
C9_3 O5_3 C4_3 C3_3 163.2(12) . . . . ?
C2_3 C3_3 C4_3 C5_3 3.5(19) . . . . ?
C2_3 C3_3 C4_3 O5_3 -178.9(11) . . . . ?
O5_3 C4_3 C5_3 C6_3 178.0(11) . . . . ?
C3_3 C4_3 C5_3 C6_3 -4.6(18) . . . . ?
C4_3 C5_3 C6_3 C7_3 2.1(16) . . . . ?
C4_3 C5_3 C6_3 C8_3 178.8(10) . . . . ?
C5_3 C6_3 C7_3 C2_3 1.5(16) . . . . ?
C8_3 C6_3 C7_3 C2_3 -175.3(9) . . . . ?
C3_3 C2_3 C7_3 C6_3 -2.6(17) . . . . ?
C1_3 C2_3 C7_3 C6_3 174.0(10) . . . . ?
Cu5 O3_3 C8_3 O4_3 -11.0(14) . . . . ?
Cu5 O3_3 C8_3 C6_3 176.4(5) . . . . ?
Cu6 O4_3 C8_3 O3_3 9.8(13) . . . . ?
Cu6 O4_3 C8_3 C6_3 -177.8(6) . . . . ?
C7_3 C6_3 C8_3 O3_3 -6.5(13) . . . . ?
C5_3 C6_3 C8_3 O3_3 176.8(9) . . . . ?
C7_3 C6_3 C8_3 O4_3 180.0(9) . . . . ?
C5_3 C6_3 C8_3 O4_3 3.2(13) . . . . ?
C4_3 O5_3 C9_3 C10_3 -155.3(13) . . . . ?
Cu5 O1_4 C1_4 O2_4 4.6(15) . . . . ?
Cu5 O1_4 C1_4 C2_4 -179.1(7) . . . . ?
Cu6 O2_4 C1_4 O1_4 -5.7(16) . . . . ?
Cu6 O2_4 C1_4 C2_4 178.0(7) . . . . ?
O1_4 C1_4 C2_4 C5_4 13.3(16) . . . . ?
O2_4 C1_4 C2_4 C5_4 -169.9(11) . . . . ?
O1_4 C1_4 C2_4 C3_4 -169.5(10) . . . . ?
O2_4 C1_4 C2_4 C3_4 7.3(16) . . . . ?
C5_4 C2_4 C3_4 C4_4 0(2) . . . . ?
C1_4 C2_4 C3_4 C4_4 -176.8(14) . . . . ?
C2_4 C3_4 C4_4 C3_4 1(3) . . . 6_565 ?
C2_4 C3_4 C4_4 O3_4 -179.5(16) . . . . ?
C3_4 C2_4 C5_4 C2_4 -2(2) . . . 6_565 ?
C1_4 C2_4 C5_4 C2_4 175.5(9) . . . 6_565 ?
Cu5 O1_5 C1_5 O2_5 7.1(15) . . . . ?
Cu5 O1_5 C1_5 C2_5 -176.4(6) . . . . ?
Cu6 O2_5 C1_5 O1_5 -8.4(15) . . . . ?
Cu6 O2_5 C1_5 C2_5 175.2(7) . . . . ?
O1_5 C1_5 C2_5 C7_5 3.7(14) . . . . ?
O2_5 C1_5 C2_5 C7_5 -179.4(9) . . . . ?
O1_5 C1_5 C2_5 C3_5 -176.2(10) . . . . ?
O2_5 C1_5 C2_5 C3_5 0.7(15) . . . . ?
C7_5 C2_5 C3_5 C4_5 -0.4(17) . . . . ?
C1_5 C2_5 C3_5 C4_5 179.5(10) . . . . ?
C2_5 C3_5 C4_5 O5_5 -175.2(11) . . . . ?
C2_5 C3_5 C4_5 C5_5 4.9(17) . . . . ?
C9_5 O5_5 C4_5 C3_5 12.8(17) . . . . ?
C9_5 O5_5 C4_5 C5_5 -167.3(10) . . . . ?
C3_5 C4_5 C5_5 C6_5 -5.3(17) . . . . ?
O5_5 C4_5 C5_5 C6_5 174.7(11) . . . . ?
C4_5 C5_5 C6_5 C7_5 1.2(18) . . . . ?
C4_5 C5_5 C6_5 C8_5 176.3(10) . . . . ?
C5_5 C6_5 C7_5 C2_5 3.5(18) . . . . ?
C8_5 C6_5 C7_5 C2_5 -171.6(10) . . . . ?
C3_5 C2_5 C7_5 C6_5 -3.9(16) . . . . ?
C1_5 C2_5 C7_5 C6_5 176.2(10) . . . . ?
Cu8 O4_5 C8_5 O3_5 9.9(18) . . . . ?
Cu8 O4_5 C8_5 C6_5 -172.5(7) . . . . ?
Cu7 O3_5 C8_5 O4_5 -8.5(18) . . . . ?
Cu7 O3_5 C8_5 C6_5 173.9(7) . . . . ?
C5_5 C6_5 C8_5 O4_5 -1.8(17) . . . . ?
C7_5 C6_5 C8_5 O4_5 173.4(11) . . . . ?
C5_5 C6_5 C8_5 O3_5 176.1(11) . . . . ?
C7_5 C6_5 C8_5 O3_5 -8.7(17) . . . . ?
C4_5 O5_5 C9_5 C10_5 166.1(11) . . . . ?
Cu7 O1_6 C1_6 O2_6 5.8(15) . . . . ?
Cu7 O1_6 C1_6 C2_6 -177.0(6) . . . . ?
Cu8 O2_6 C1_6 O1_6 -6.3(15) . . . . ?
Cu8 O2_6 C1_6 C2_6 176.5(6) . . . . ?
O1_6 C1_6 C2_6 C3_6 -175.0(10) . . . . ?
O2_6 C1_6 C2_6 C3_6 2.6(15) . . . . ?
O1_6 C1_6 C2_6 C7_6 7.3(15) . . . . ?
O2_6 C1_6 C2_6 C7_6 -175.2(10) . . . . ?
C7_6 C2_6 C3_6 C4_6 0(2) . . . . ?
C1_6 C2_6 C3_6 C4_6 -177.6(13) . . . . ?
C2_6 C3_6 C4_6 O5_6 179.6(13) . . . . ?
C2_6 C3_6 C4_6 C5_6 -1(2) . . . . ?
C3_6 C4_6 C5_6 C6_6 0(2) . . . . ?
O5_6 C4_6 C5_6 C6_6 180.0(13) . . . . ?
C4_6 C5_6 C6_6 C7_6 1(2) . . . . ?
C4_6 C5_6 C6_6 C8_6 176.6(12) . . . . ?
C5_6 C6_6 C7_6 C2_6 -1.3(18) . . . . ?
C8_6 C6_6 C7_6 C2_6 -177.3(10) . . . . ?
C3_6 C2_6 C7_6 C6_6 0.9(17) . . . . ?
C1_6 C2_6 C7_6 C6_6 178.7(9) . . . . ?
Cu3 O3_6 C8_6 O4_6 -7.0(15) . . . . ?
Cu3 O3_6 C8_6 C6_6 175.7(7) . . . . ?
Cu4 O4_6 C8_6 O3_6 6.7(15) . . . . ?
Cu4 O4_6 C8_6 C6_6 -176.0(7) . . . . ?
C7_6 C6_6 C8_6 O3_6 -7.4(16) . . . . ?
C5_6 C6_6 C8_6 O3_6 176.5(10) . . . . ?
C7_6 C6_6 C8_6 O4_6 175.1(10) . . . . ?
C5_6 C6_6 C8_6 O4_6 -1.1(16) . . . . ?
Cu6 O6_7 C1_7 N1_7 -175.9(15) . . . . ?
C3_7 N1_7 C1_7 O6_7 -10(3) . . . . ?
C2_7 N1_7 C1_7 O6_7 -159(2) . . . . ?

_refine_diff_density_max         0.624
_refine_diff_density_min         -0.432
_refine_diff_density_rms         0.074



#END===
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_eric333
_database_code_depnum_ccdc_archive 'CCDC 2018426'
loop_
_audit_author_name
_audit_author_address
'Glenn Yap'
;University of Delaware
United States of America
;
_audit_update_record             
;
2020-07-23 deposited with the CCDC.	2020-10-19 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_THETM01_eric333             
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575
RESPONSE: As in similar MOPs, this compound consistently deposits 
As weakly diffracting crystals.
;
_vrf_PLAT242_eric333             
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of       O5_3 Check 
RESPONSE: Atom identity is consistent with the synthetic method.
;
_vrf_PLAT315_eric333             
;
PROBLEM: Singly Bonded Carbon Detected (H-atoms Missing).      C11_1 Check 
RESPONSE: This is the last C-atom in a C9 alkyl chain that can be 
modeled. H-atoms cannot be located or calculated.
;
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
;
C254 H168 Cu24 N8 O144, 6[C9H19], 6[C8H19], 8[C6H15], 4[C7H17], 16[H2]
;
_chemical_formula_sum            'C432 H616 Cu24 N8 O144'
_chemical_formula_weight         9750.25

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'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 2/m'
_space_group_name_Hall           '-C 2y'

_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'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'

_cell_length_a                   38.1865(15)
_cell_length_b                   30.1168(12)
_cell_length_c                   26.1698(11)
_cell_angle_alpha                90
_cell_angle_beta                 106.633(3)
_cell_angle_gamma                90
_cell_volume                     28837(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9911
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      57.56

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.123
_exptl_crystal_F_000             10224
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.221
_exptl_crystal_size_mid          0.184
_exptl_crystal_size_min          0.162
_exptl_absorpt_coefficient_mu    1.496
_shelx_estimated_absorpt_T_min   0.733
_shelx_estimated_absorpt_T_max   0.794
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5736
_exptl_absorpt_correction_T_max  0.7516
_exptl_absorpt_process_details   
; 
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575 
RESPONSE: As in similar MOPs, this compound consistently deposits 
As weakly diffracting crystals. 
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker AXS APEX diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.33
_diffrn_reflns_number            128531
_diffrn_reflns_av_unetI/netI     0.0800
_diffrn_reflns_av_R_equivalents  0.0996
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.344
_diffrn_reflns_theta_max         59.387
_diffrn_reflns_theta_full        59.387
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             21271
_reflns_number_gt                12370
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 Structure factors included contributions from the .fab file. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         21271
_refine_ls_number_parameters     997
_refine_ls_number_restraints     1781
_refine_ls_R_factor_all          0.1381
_refine_ls_R_factor_gt           0.0980
_refine_ls_wR_factor_ref         0.3341
_refine_ls_wR_factor_gt          0.2821
_refine_ls_goodness_of_fit_ref   1.156
_refine_ls_restrained_S_all      1.125
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.500000 0.23649(5) 0.500000 0.0720(5) Uani 1 2 d DS TU P . .
Cu2 Cu 0.500000 0.14908(5) 0.500000 0.0788(5) Uani 1 2 d DS TU P . .
Cu3 Cu 0.32596(2) 0.36611(3) 0.53349(5) 0.0619(3) Uani 1 1 d D U . . .
Cu4 Cu 0.26894(2) 0.32201(3) 0.54631(5) 0.0641(3) Uani 1 1 d D U . . .
Cu5 Cu 0.45796(4) 0.500000 0.77807(7) 0.0702(4) Uani 1 2 d S TU P . .
Cu6 Cu 0.44422(4) 0.500000 0.87100(7) 0.0707(5) Uani 1 2 d S TU P . .
Cu7 Cu 0.63412(3) 0.63128(4) 0.74562(5) 0.0762(4) Uani 1 1 d . U . . .
Cu8 Cu 0.67604(3) 0.67576(4) 0.82706(5) 0.0837(4) Uani 1 1 d . U . . .
O1 O 0.500000 0.3073(3) 0.500000 0.159(6) Uani 1 2 d S T P . .
O2 O 0.500000 0.0774(3) 0.500000 0.114(3) Uani 1 2 d S T P . .
O3 O 0.4609(5) 0.500000 0.6968(5) 0.158(5) Uani 1 2 d S T P . .
O4 O 0.4371(3) 0.500000 0.9486(4) 0.113(3) Uani 1 2 d S T P . .
O5 O 0.5990(2) 0.5927(3) 0.6824(4) 0.148(3) Uani 1 1 d . . . . .
O6 O 0.70990(19) 0.7112(3) 0.8956(3) 0.118(2) Uani 1 1 d . . . . .
O1_1 O 0.45695(12) 0.22986(16) 0.5260(2) 0.0757(15) Uani 1 1 d . U . . .
O2_1 O 0.45703(14) 0.15536(16) 0.5263(3) 0.0847(17) Uani 1 1 d . U . . .
O3_1 O 0.34911(12) 0.30803(15) 0.5423(2) 0.0743(15) Uani 1 1 d . U . . .
O4_1 O 0.30182(11) 0.27041(15) 0.5549(2) 0.0675(13) Uani 1 1 d . U . . .
O5_1 O 0.34829(15) 0.11135(17) 0.5783(3) 0.100(2) Uani 1 1 d . U . . .
C1_1 C 0.44316(18) 0.1929(2) 0.5295(4) 0.075(2) Uani 1 1 d . U . . .
C2_1 C 0.38984(17) 0.2312(2) 0.5457(3) 0.0635(18) Uani 1 1 d . U . . .
H2_1 H 0.400691 0.258659 0.540882 0.076 Uiso 1 1 calc R U . . .
C3_1 C 0.40788(18) 0.1924(2) 0.5452(3) 0.066(2) Uani 1 1 d . U . . .
C4_1 C 0.3938(2) 0.1527(2) 0.5560(4) 0.077(2) Uani 1 1 d . U . . .
H4_1 H 0.407054 0.125968 0.556319 0.092 Uiso 1 1 calc R U . . .
C5_1 C 0.3594(2) 0.1518(2) 0.5667(4) 0.077(2) Uani 1 1 d . U . . .
C6_1 C 0.33998(19) 0.1908(2) 0.5621(3) 0.069(2) Uani 1 1 d . U . . .
H6_1 H 0.315762 0.190246 0.565089 0.083 Uiso 1 1 calc R U . . .
C7_1 C 0.35478(18) 0.2302(2) 0.5535(3) 0.0638(18) Uani 1 1 d . U . . .
C8_1 C 0.33306(18) 0.2735(2) 0.5488(3) 0.068(2) Uani 1 1 d . U . . .
C9_1 C 0.3168(2) 0.1100(3) 0.5992(5) 0.103(3) Uani 1 1 d . U . . .
H9A_1 H 0.294159 0.116339 0.570291 0.124 Uiso 1 1 calc R U . . .
H9B_1 H 0.319399 0.132676 0.627368 0.124 Uiso 1 1 calc R U . . .
C10_1 C 0.3147(3) 0.0648(3) 0.6215(6) 0.135(4) Uani 1 1 d . U . . .
H10A_1 H 0.338057 0.057583 0.648364 0.162 Uiso 1 1 calc R U . . .
H10B_1 H 0.310203 0.042402 0.592701 0.162 Uiso 1 1 calc R U . . .
C11_1 C 0.2818(6) 0.0639(8) 0.6489(13) 0.281(12) Uani 1 1 d . U . . .
O1_2 O 0.32748(15) 0.3562(2) 0.2875(2) 0.0861(17) Uani 1 1 d . U . . .
O2_2 O 0.29136(15) 0.3174(2) 0.2187(3) 0.0921(18) Uani 1 1 d . U . . .
O3_2 O 0.30286(13) 0.35033(17) 0.4585(2) 0.0751(14) Uani 1 1 d . U . . .
O4_2 O 0.25510(12) 0.31441(15) 0.4693(2) 0.0677(13) Uani 1 1 d . U . . .
O5_2 O 0.18864(17) 0.2647(3) 0.2797(3) 0.121(3) Uani 1 1 d . U . . .
C1_2 C 0.3005(2) 0.3322(3) 0.2657(3) 0.073(2) Uani 1 1 d . U . . .
C2_2 C 0.28491(19) 0.3319(2) 0.3527(3) 0.069(2) Uani 1 1 d . U . . .
H2_2 H 0.306771 0.348004 0.368214 0.082 Uiso 1 1 calc R U . . .
C3_2 C 0.2747(2) 0.3218(3) 0.2984(3) 0.0680(19) Uani 1 1 d . U . . .
C4_2 C 0.2426(2) 0.2983(3) 0.2752(4) 0.082(2) Uani 1 1 d . U . . .
H4_2 H 0.235761 0.290939 0.238367 0.098 Uiso 1 1 calc R U . . .
C5_2 C 0.2205(2) 0.2860(3) 0.3073(4) 0.081(2) Uani 1 1 d . U . . .
C6_2 C 0.2309(2) 0.2941(2) 0.3608(4) 0.071(2) Uani 1 1 d . U . . .
H6_2 H 0.216555 0.283444 0.382468 0.085 Uiso 1 1 calc R U . . .
C7_2 C 0.26321(18) 0.3185(2) 0.3836(3) 0.0652(19) Uani 1 1 d . U . . .
C8_2 C 0.27562(18) 0.3278(2) 0.4439(3) 0.0571(17) Uani 1 1 d . U . . .
C9_2 C 0.1618(3) 0.2583(5) 0.3070(5) 0.131(4) Uani 1 1 d . U . . .
H9A_2 H 0.160728 0.284715 0.329064 0.158 Uiso 1 1 calc R U . . .
H9B_2 H 0.168159 0.232205 0.330851 0.158 Uiso 1 1 calc R U . . .
C10_2 C 0.1238(4) 0.2509(8) 0.2651(8) 0.232(10) Uani 1 1 d . U . . .
O1_3 O 0.29520(12) 0.41887(15) 0.5258(2) 0.0736(14) Uani 1 1 d . U . . .
O2_3 O 0.24704(13) 0.38238(15) 0.5363(2) 0.0779(16) Uani 1 1 d . U . . .
O5_3 O 0.1523(2) 0.500000 0.5198(6) 0.147(5) Uani 1 2 d S TU P . .
C1_3 C 0.2632(2) 0.4165(2) 0.5303(4) 0.075(2) Uani 1 1 d . U . . .
C2_3 C 0.2610(3) 0.500000 0.5254(5) 0.066(3) Uani 1 2 d S TU P . .
H2_3 H 0.285750 0.500000 0.524892 0.080 Uiso 1 2 calc R U P . .
C3_3 C 0.24307(19) 0.4601(2) 0.5258(4) 0.073(2) Uani 1 1 d . U . . .
C4_3 C 0.2059(2) 0.4595(3) 0.5231(4) 0.091(3) Uani 1 1 d . U . . .
H4_3 H 0.193106 0.432282 0.522015 0.109 Uiso 1 1 calc R U . . .
C5_3 C 0.1883(3) 0.500000 0.5223(7) 0.106(4) Uani 1 2 d S TU P . .
C9_3 C 0.1268(7) 0.4645(8) 0.4943(16) 0.164(11) Uani 0.5 1 d . U P . .
O1_4 O 0.33946(13) 0.37392(17) 0.6108(2) 0.0740(14) Uani 1 1 d . U . . .
O2_4 O 0.29121(14) 0.33720(18) 0.6214(2) 0.0825(16) Uani 1 1 d . U . . .
O3_4 O 0.41992(14) 0.45450(19) 0.7608(2) 0.0810(15) Uani 1 1 d . U . . .
O4_4 O 0.40769(15) 0.4547(2) 0.8402(2) 0.0848(16) Uani 1 1 d . U . . .
O5_4 O 0.3087(3) 0.3448(4) 0.8209(4) 0.205(5) Uani 1 1 d . U . . .
C1_4 C 0.3189(2) 0.3597(3) 0.6370(3) 0.074(2) Uani 1 1 d . U . . .
C2_4 C 0.3616(2) 0.3978(3) 0.7181(3) 0.075(2) Uani 1 1 d . U . . .
H2_4 H 0.374525 0.409944 0.695260 0.090 Uiso 1 1 calc R U . . .
C3_4 C 0.3329(2) 0.3692(3) 0.6972(4) 0.084(2) Uani 1 1 d . U . . .
C4_4 C 0.3137(4) 0.3509(4) 0.7302(5) 0.129(4) Uani 1 1 d . U . . .
H4_4 H 0.293292 0.332052 0.716197 0.155 Uiso 1 1 calc R U . . .
C5_4 C 0.3254(4) 0.3612(4) 0.7839(5) 0.139(4) Uani 1 1 d . U . . .
C6_4 C 0.3539(3) 0.3920(4) 0.8048(4) 0.110(3) Uani 1 1 d . U . . .
H6_4 H 0.360251 0.400462 0.841240 0.132 Uiso 1 1 calc R U . . .
C7_4 C 0.3722(2) 0.4092(3) 0.7715(3) 0.077(2) Uani 1 1 d . U . . .
C8_4 C 0.40183(19) 0.4431(3) 0.7924(3) 0.077(2) Uani 1 1 d . U . . .
O1_5 O 0.49499(13) 0.54592(19) 0.8095(2) 0.0783(15) Uani 1 1 d . U . . .
O2_5 O 0.48240(14) 0.54566(19) 0.8887(2) 0.0814(15) Uani 1 1 d . U . . .
O3_5 O 0.60156(16) 0.6245(2) 0.7907(3) 0.0894(17) Uani 1 1 d . U . . .
O4_5 O 0.63704(17) 0.6622(2) 0.8599(3) 0.0978(19) Uani 1 1 d . U . . .
O5_5 O 0.5777(2) 0.6493(3) 1.0029(3) 0.130(3) Uani 1 1 d . U . . .
C1_5 C 0.49984(18) 0.5565(3) 0.8553(3) 0.0678(19) Uani 1 1 d . U . . .
C2_5 C 0.5539(2) 0.6013(3) 0.8482(4) 0.078(2) Uani 1 1 d . U . . .
H2_5 H 0.549258 0.590743 0.812640 0.093 Uiso 1 1 calc R U . . .
C3_5 C 0.5313(2) 0.5898(3) 0.8783(4) 0.079(2) Uani 1 1 d . U . . .
C4_5 C 0.5384(2) 0.6045(3) 0.9298(4) 0.092(3) Uani 1 1 d . U . . .
H4_5 H 0.522760 0.595997 0.950609 0.111 Uiso 1 1 calc R U . . .
C5_5 C 0.5681(3) 0.6316(3) 0.9518(4) 0.096(3) Uani 1 1 d . U . . .
C6_5 C 0.5905(2) 0.6434(3) 0.9204(4) 0.091(3) Uani 1 1 d . U . . .
H6_5 H 0.610827 0.662317 0.934756 0.109 Uiso 1 1 calc R U . . .
C7_5 C 0.5838(2) 0.6288(3) 0.8705(4) 0.083(2) Uani 1 1 d . U . . .
C8_5 C 0.6101(2) 0.6377(3) 0.8365(4) 0.080(2) Uani 1 1 d . U . . .
C9_5 C 0.5558(4) 0.6395(6) 1.0380(6) 0.149(5) Uani 1 1 d . U . . .
H9A_5 H 0.558455 0.607859 1.048597 0.179 Uiso 1 1 calc R U . . .
H9B_5 H 0.529673 0.645344 1.019638 0.179 Uiso 1 1 calc R U . . .
C10_5 C 0.5684(5) 0.6684(7) 1.0858(6) 0.181(6) Uani 1 1 d . U . . .
H10A_5 H 0.573669 0.698045 1.073435 0.217 Uiso 1 1 calc R U . . .
H10B_5 H 0.591973 0.656229 1.108001 0.217 Uiso 1 1 calc R U . . .
C11_5 C 0.5406(8) 0.6763(11) 1.1275(12) 0.312(14) Uani 1 1 d . U . . .
O1_6 O 0.61328(16) 0.6893(2) 0.7223(3) 0.0876(16) Uani 1 1 d . U . . .
O2_6 O 0.64868(18) 0.7271(2) 0.7924(3) 0.0958(18) Uani 1 1 d . U . . .
O3_6 O 0.53163(15) 0.76967(18) 0.5718(3) 0.0859(17) Uani 1 1 d . U . . .
O4_6 O 0.53216(16) 0.84474(19) 0.5732(3) 0.0925(18) Uani 1 1 d . U . . .
O5_6 O 0.6087(4) 0.8859(3) 0.7543(5) 0.220(6) Uani 1 1 d . U . . .
C1_6 C 0.6247(2) 0.7233(3) 0.7465(4) 0.078(2) Uani 1 1 d . U . . .
C2_6 C 0.5829(2) 0.7666(3) 0.6726(4) 0.084(2) Uani 1 1 d . U . . .
H2_6 H 0.576423 0.739288 0.654166 0.101 Uiso 1 1 calc R U . . .
C3_6 C 0.6064(2) 0.7678(3) 0.7216(4) 0.079(2) Uani 1 1 d . U . . .
C4_6 C 0.6165(3) 0.8081(4) 0.7488(6) 0.121(4) Uani 1 1 d . U . . .
H4_6 H 0.633575 0.808527 0.783245 0.145 Uiso 1 1 calc R U . . .
C5_6 C 0.6011(4) 0.8468(4) 0.7247(7) 0.138(4) Uani 1 1 d . U . . .
C6_6 C 0.5779(3) 0.8464(3) 0.6767(6) 0.110(3) Uani 1 1 d . U . . .
H6_6 H 0.567655 0.873528 0.660770 0.131 Uiso 1 1 calc R U . . .
C7_6 C 0.5681(2) 0.8073(3) 0.6491(4) 0.080(2) Uani 1 1 d . U . . .
C8_6 C 0.54192(19) 0.8065(3) 0.5919(4) 0.073(2) Uani 1 1 d . U . . .
C9_6 C 0.2780(8) 0.3141(8) 0.7965(9) 0.286(13) Uani 1 1 d . U . . .
O1_7 O 0.66193(17) 0.5803(2) 0.7813(3) 0.0893(16) Uani 1 1 d . U . . .
O2_7 O 0.69770(16) 0.6180(2) 0.8506(3) 0.0909(17) Uani 1 1 d . U . . .
O5_7 O 0.7737(4) 0.500000 0.9678(6) 0.176(6) Uani 1 2 d S TU P . .
C1_7 C 0.6859(3) 0.5838(3) 0.8247(4) 0.081(2) Uani 1 1 d . U . . .
C2_7 C 0.6899(3) 0.500000 0.8239(5) 0.086(3) Uani 1 2 d S TU P . .
H2_7 H 0.672417 0.500000 0.789733 0.103 Uiso 1 2 calc R U P . .
C3_7 C 0.7036(3) 0.5396(3) 0.8505(4) 0.089(2) Uani 1 1 d . U . . .
C4_7 C 0.7309(3) 0.5399(4) 0.8956(5) 0.109(3) Uani 1 1 d . U . . .
H4_7 H 0.740329 0.567231 0.911830 0.131 Uiso 1 1 calc R U . . .
C5_7 C 0.7456(5) 0.500000 0.9187(8) 0.120(5) Uani 1 2 d S TU P . .
O1A_8 O 0.2229(7) 0.2938(10) 0.5604(10) 0.0717(17) Uani 0.530(6) 1 d D U P A 1
N1A_8 N 0.1889(3) 0.2864(4) 0.6268(6) 0.0807(16) Uani 0.530(6) 1 d D U P A 1
C1A_8 C 0.2196(4) 0.2988(5) 0.6127(7) 0.0775(16) Uani 0.530(6) 1 d D U P A 1
H1A_8 H 0.239553 0.311286 0.639285 0.093 Uiso 0.530(6) 1 calc R U P A 1
C2A_8 C 0.1559(5) 0.2600(8) 0.5821(9) 0.087(2) Uani 0.530(6) 1 d D U P A 1
H2AA_8 H 0.135939 0.253329 0.597469 0.130 Uiso 0.530(6) 1 calc R U P A 1
H2AB_8 H 0.146796 0.278848 0.550557 0.130 Uiso 0.530(6) 1 calc R U P A 1
H2AC_8 H 0.165560 0.232306 0.571904 0.130 Uiso 0.530(6) 1 calc R U P A 1
C3A_8 C 0.1872(4) 0.2936(6) 0.6798(7) 0.091(2) Uani 0.530(6) 1 d . U P A 1
H3AA_8 H 0.163720 0.282989 0.683112 0.137 Uiso 0.530(6) 1 calc R U P A 1
H3AB_8 H 0.207136 0.277341 0.704805 0.137 Uiso 0.530(6) 1 calc R U P A 1
H3AC_8 H 0.189740 0.325384 0.687993 0.137 Uiso 0.530(6) 1 calc R U P A 1
O1B_8 O 0.2203(8) 0.2945(11) 0.5688(11) 0.0717(17) Uani 0.470(6) 1 d . U P A 2
N1B_8 N 0.1700(4) 0.3081(5) 0.5897(7) 0.0807(16) Uani 0.470(6) 1 d . U P A 2
C1B_8 C 0.1962(4) 0.3211(6) 0.5699(8) 0.0775(16) Uani 0.470(6) 1 d . U P A 2
H1B_8 H 0.196470 0.350492 0.556718 0.093 Uiso 0.470(6) 1 calc R U P A 2
C2B_8 C 0.1648(6) 0.2634(9) 0.6023(10) 0.087(2) Uani 0.470(6) 1 d . U P A 2
H2BA_8 H 0.143767 0.261307 0.616492 0.104 Uiso 0.470(6) 1 calc R U P A 2
H2BB_8 H 0.160411 0.245176 0.570027 0.104 Uiso 0.470(6) 1 calc R U P A 2
H2BC_8 H 0.186750 0.252646 0.629086 0.104 Uiso 0.470(6) 1 calc R U P A 2
C3B_8 C 0.1439(5) 0.3369(7) 0.5963(9) 0.091(2) Uani 0.470(6) 1 d . U P A 2
H3BA_8 H 0.126906 0.320926 0.611489 0.137 Uiso 0.470(6) 1 calc R U P A 2
H3BB_8 H 0.155660 0.360876 0.620384 0.137 Uiso 0.470(6) 1 calc R U P A 2
H3BC_8 H 0.130544 0.349375 0.561610 0.137 Uiso 0.470(6) 1 calc R U P A 2
O1_9 O 0.3726(2) 0.3956(3) 0.5133(4) 0.166(3) Uani 1 1 d G U . B 2
N1_9 N 0.40639(18) 0.3736(3) 0.4578(3) 0.185(3) Uani 1 1 d G U . B 2
C1_9 C 0.38117(18) 0.3681(2) 0.4850(4) 0.177(3) Uani 1 1 d G U . B 2
H1_9 H 0.369161 0.340119 0.481643 0.212 Uiso 1 1 calc R U . B 2
C2_9 C 0.4260(4) 0.4153(3) 0.4608(6) 0.200(3) Uani 1 1 d G U . B 2
H2A_9 H 0.442927 0.413393 0.438911 0.299 Uiso 1 1 calc R U . B 2
H2B_9 H 0.408531 0.439429 0.447546 0.299 Uiso 1 1 calc R U . B 2
H2C_9 H 0.439791 0.421267 0.497919 0.299 Uiso 1 1 calc R U . B 2
C3_9 C 0.4147(3) 0.3385(4) 0.4251(5) 0.193(3) Uani 1 1 d G U . B 2
H3A_9 H 0.433439 0.348877 0.408953 0.289 Uiso 1 1 calc R U . B 2
H3B_9 H 0.423808 0.312448 0.447365 0.289 Uiso 1 1 calc R U . B 2
H3C_9 H 0.392541 0.330568 0.396973 0.289 Uiso 1 1 calc R U . B 2


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 O3_6 1.930(7) 5_666 ?
Cu1 O3_6 1.930(7) 6_565 ?
Cu1 O1_1 1.961(4) . ?
Cu1 O1_1 1.961(4) 2_656 ?
Cu1 O1 2.132(10) . ?
Cu1 Cu2 2.633(2) . ?
Cu2 O2_1 1.962(4) 2_656 ?
Cu2 O2_1 1.962(4) . ?
Cu2 O4_6 1.966(7) 6_565 ?
Cu2 O4_6 1.966(7) 5_666 ?
Cu2 O2 2.159(8) . ?
Cu3 O3_1 1.944(5) . ?
Cu3 O1_3 1.952(5) . ?
Cu3 O1_4 1.955(6) . ?
Cu3 O3_2 1.967(6) . ?
Cu3 O1_9 2.187(6) . ?
Cu3 Cu4 2.6528(11) . ?
Cu4 O4_2 1.945(6) . ?
Cu4 O2_4 1.960(6) . ?
Cu4 O4_1 1.970(5) . ?
Cu4 O2_3 1.987(5) . ?
Cu4 O1A_8 2.077(19) . ?
Cu4 O1B_8 2.26(2) . ?
Cu5 O3_4 1.953(5) . ?
Cu5 O3_4 1.953(5) 6_565 ?
Cu5 O1_5 1.981(6) . ?
Cu5 O1_5 1.981(5) 6_565 ?
Cu5 O3 2.162(10) . ?
Cu5 Cu6 2.631(2) . ?
Cu6 O4_4 1.952(6) . ?
Cu6 O4_4 1.952(6) 6_565 ?
Cu6 O2_5 1.961(5) . ?
Cu6 O2_5 1.961(5) 6_565 ?
Cu6 O4 2.125(9) . ?
Cu7 O1_2 1.942(5) 5_666 ?
Cu7 O1_6 1.945(6) . ?
Cu7 O1_7 1.948(6) . ?
Cu7 O3_5 1.954(5) . ?
Cu7 O5 2.149(8) . ?
Cu7 Cu8 2.6357(18) . ?
Cu8 O2_6 1.939(7) . ?
Cu8 O2_7 1.949(7) . ?
Cu8 O4_5 1.963(5) . ?
Cu8 O2_2 1.969(5) 5_666 ?
Cu8 O6 2.169(7) . ?
O1_1 C1_1 1.246(8) . ?
O2_1 C1_1 1.261(8) . ?
O3_1 C8_1 1.244(8) . ?
O4_1 C8_1 1.252(7) . ?
O5_1 C5_1 1.352(9) . ?
O5_1 C9_1 1.458(9) . ?
C1_1 C3_1 1.517(9) . ?
C2_1 C3_1 1.357(9) . ?
C2_1 C7_1 1.411(8) . ?
C2_1 H2_1 0.9500 . ?
C3_1 C4_1 1.373(10) . ?
C4_1 C5_1 1.420(9) . ?
C4_1 H4_1 0.9500 . ?
C5_1 C6_1 1.376(10) . ?
C6_1 C7_1 1.360(9) . ?
C6_1 H6_1 0.9500 . ?
C7_1 C8_1 1.531(9) . ?
C9_1 C10_1 1.492(13) . ?
C9_1 H9A_1 0.9900 . ?
C9_1 H9B_1 0.9900 . ?
C10_1 C11_1 1.61(3) . ?
C10_1 H10A_1 0.9900 . ?
C10_1 H10B_1 0.9900 . ?
O1_2 C1_2 1.252(9) . ?
O2_2 C1_2 1.261(10) . ?
O3_2 C8_2 1.208(8) . ?
O4_2 C8_2 1.232(7) . ?
O5_2 C5_2 1.383(10) . ?
O5_2 C9_2 1.421(11) . ?
C1_2 C3_2 1.511(10) . ?
C2_2 C7_2 1.375(10) . ?
C2_2 C3_2 1.394(11) . ?
C2_2 H2_2 0.9500 . ?
C3_2 C4_2 1.397(11) . ?
C4_2 C5_2 1.400(11) . ?
C4_2 H4_2 0.9500 . ?
C5_2 C6_2 1.362(12) . ?
C6_2 C7_2 1.414(11) . ?
C6_2 H6_2 0.9500 . ?
C7_2 C8_2 1.538(11) . ?
C9_2 C10_2 1.563(18) . ?
C9_2 H9A_2 0.9900 . ?
C9_2 H9B_2 0.9900 . ?
O1_3 C1_3 1.262(8) . ?
O2_3 C1_3 1.230(8) . ?
O5_3 C5_3 1.356(13) . ?
O5_3 C9_3 1.47(3) . ?
O5_3 C9_3 1.47(3) 6_565 ?
C1_3 C3_3 1.511(10) . ?
C2_3 C3_3 1.383(8) . ?
C2_3 C3_3 1.383(8) 6_565 ?
C2_3 H2_3 0.9500 . ?
C3_3 C4_3 1.403(10) . ?
C4_3 C5_3 1.389(9) . ?
C4_3 H4_3 0.9500 . ?
O1_4 C1_4 1.256(8) . ?
O2_4 C1_4 1.223(9) . ?
O3_4 C8_4 1.267(9) . ?
O4_4 C8_4 1.254(10) . ?
O5_4 C5_4 1.396(13) . ?
O5_4 C9_6 1.49(2) . ?
C1_4 C3_4 1.539(12) . ?
C2_4 C3_4 1.379(11) . ?
C2_4 C7_4 1.381(11) . ?
C2_4 H2_4 0.9500 . ?
C3_4 C4_4 1.395(12) . ?
C4_4 C5_4 1.383(16) . ?
C4_4 H4_4 0.9500 . ?
C5_4 C6_4 1.414(14) . ?
C6_4 C7_4 1.364(12) . ?
C6_4 H6_4 0.9500 . ?
C7_4 C8_4 1.508(12) . ?
O1_5 C1_5 1.202(9) . ?
O2_5 C1_5 1.283(9) . ?
O3_5 C8_5 1.216(10) . ?
O4_5 C8_5 1.273(10) . ?
O5_5 C5_5 1.388(12) . ?
O5_5 C9_5 1.440(13) . ?
C1_5 C3_5 1.548(11) . ?
C2_5 C3_5 1.369(10) . ?
C2_5 C7_5 1.396(11) . ?
C2_5 H2_5 0.9500 . ?
C3_5 C4_5 1.372(13) . ?
C4_5 C5_5 1.382(12) . ?
C4_5 H4_5 0.9500 . ?
C5_5 C6_5 1.391(12) . ?
C6_5 C7_5 1.332(12) . ?
C6_5 H6_5 0.9500 . ?
C7_5 C8_5 1.543(11) . ?
C9_5 C10_5 1.49(2) . ?
C9_5 H9A_5 0.9900 . ?
C9_5 H9B_5 0.9900 . ?
C10_5 C11_5 1.74(3) . ?
C10_5 H10A_5 0.9900 . ?
C10_5 H10B_5 0.9900 . ?
O1_6 C1_6 1.215(10) . ?
O2_6 C1_6 1.292(11) . ?
O3_6 C8_6 1.243(9) . ?
O4_6 C8_6 1.263(9) . ?
O5_6 C5_6 1.391(15) . ?
C1_6 C3_6 1.565(13) . ?
C2_6 C3_6 1.339(12) . ?
C2_6 C7_6 1.415(12) . ?
C2_6 H2_6 0.9500 . ?
C3_6 C4_6 1.402(14) . ?
C4_6 C5_6 1.376(17) . ?
C4_6 H4_6 0.9500 . ?
C5_6 C6_6 1.315(17) . ?
C6_6 C7_6 1.375(13) . ?
C6_6 H6_6 0.9500 . ?
C7_6 C8_6 1.544(13) . ?
O1_7 C1_7 1.243(11) . ?
O2_7 C1_7 1.243(10) . ?
O5_7 C5_7 1.42(2) . ?
C1_7 C3_7 1.557(13) . ?
C2_7 C3_7 1.404(12) . ?
C2_7 C3_7 1.404(11) 6_565 ?
C2_7 H2_7 0.9500 . ?
C3_7 C4_7 1.333(14) . ?
C4_7 C5_7 1.388(14) . ?
C4_7 H4_7 0.9500 . ?
O1A_8 C1A_8 1.42(3) . ?
N1A_8 C1A_8 1.380(15) . ?
N1A_8 C3A_8 1.42(2) . ?
N1A_8 C2A_8 1.65(2) . ?
C1A_8 H1A_8 0.9500 . ?
C2A_8 H2AA_8 0.9800 . ?
C2A_8 H2AB_8 0.9800 . ?
C2A_8 H2AC_8 0.9800 . ?
C3A_8 H3AA_8 0.9800 . ?
C3A_8 H3AB_8 0.9800 . ?
C3A_8 H3AC_8 0.9800 . ?
O1B_8 C1B_8 1.23(3) . ?
N1B_8 C1B_8 1.310(19) . ?
N1B_8 C3B_8 1.37(2) . ?
N1B_8 C2B_8 1.41(3) . ?
C1B_8 H1B_8 0.9500 . ?
C2B_8 H2BA_8 0.9800 . ?
C2B_8 H2BB_8 0.9800 . ?
C2B_8 H2BC_8 0.9800 . ?
C3B_8 H3BA_8 0.9800 . ?
C3B_8 H3BB_8 0.9800 . ?
C3B_8 H3BC_8 0.9800 . ?
O1_9 C1_9 1.2164 . ?
N1_9 C1_9 1.3622 . ?
N1_9 C3_9 1.4505 . ?
N1_9 C2_9 1.4537 . ?
C1_9 H1_9 0.9500 . ?
C2_9 H2A_9 0.9800 . ?
C2_9 H2B_9 0.9800 . ?
C2_9 H2C_9 0.9800 . ?
C3_9 H3A_9 0.9800 . ?
C3_9 H3B_9 0.9800 . ?
C3_9 H3C_9 0.9800 . ?

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
O3_6 Cu1 O3_6 169.0(3) 5_666 6_565 ?
O3_6 Cu1 O1_1 88.6(2) 5_666 . ?
O3_6 Cu1 O1_1 90.3(2) 6_565 . ?
O3_6 Cu1 O1_1 90.3(2) 5_666 2_656 ?
O3_6 Cu1 O1_1 88.6(2) 6_565 2_656 ?
O1_1 Cu1 O1_1 168.3(3) . 2_656 ?
O3_6 Cu1 O1 95.52(16) 5_666 . ?
O3_6 Cu1 O1 95.52(16) 6_565 . ?
O1_1 Cu1 O1 95.84(14) . . ?
O1_1 Cu1 O1 95.84(14) 2_656 . ?
O3_6 Cu1 Cu2 84.48(16) 5_666 . ?
O3_6 Cu1 Cu2 84.48(16) 6_565 . ?
O1_1 Cu1 Cu2 84.16(14) . . ?
O1_1 Cu1 Cu2 84.16(14) 2_656 . ?
O1 Cu1 Cu2 180.0 . . ?
O2_1 Cu2 O2_1 168.9(3) 2_656 . ?
O2_1 Cu2 O4_6 88.9(3) 2_656 6_565 ?
O2_1 Cu2 O4_6 90.1(3) . 6_565 ?
O2_1 Cu2 O4_6 90.1(3) 2_656 5_666 ?
O2_1 Cu2 O4_6 88.9(3) . 5_666 ?
O4_6 Cu2 O4_6 169.1(3) 6_565 5_666 ?
O2_1 Cu2 O2 95.53(15) 2_656 . ?
O2_1 Cu2 O2 95.53(15) . . ?
O4_6 Cu2 O2 95.43(17) 6_565 . ?
O4_6 Cu2 O2 95.43(17) 5_666 . ?
O2_1 Cu2 Cu1 84.47(15) 2_656 . ?
O2_1 Cu2 Cu1 84.47(15) . . ?
O4_6 Cu2 Cu1 84.57(17) 6_565 . ?
O4_6 Cu2 Cu1 84.57(17) 5_666 . ?
O2 Cu2 Cu1 180.0 . . ?
O3_1 Cu3 O1_3 169.95(17) . . ?
O3_1 Cu3 O1_4 90.5(2) . . ?
O1_3 Cu3 O1_4 88.9(2) . . ?
O3_1 Cu3 O3_2 87.7(2) . . ?
O1_3 Cu3 O3_2 90.5(2) . . ?
O1_4 Cu3 O3_2 166.62(18) . . ?
O3_1 Cu3 O1_9 91.2(3) . . ?
O1_3 Cu3 O1_9 98.8(3) . . ?
O1_4 Cu3 O1_9 102.1(3) . . ?
O3_2 Cu3 O1_9 91.2(3) . . ?
O3_1 Cu3 Cu4 84.04(12) . . ?
O1_3 Cu3 Cu4 85.92(13) . . ?
O1_4 Cu3 Cu4 84.94(13) . . ?
O3_2 Cu3 Cu4 81.68(13) . . ?
O1_9 Cu3 Cu4 171.5(2) . . ?
O4_2 Cu4 O2_4 167.98(18) . . ?
O4_2 Cu4 O4_1 90.0(2) . . ?
O2_4 Cu4 O4_1 89.4(2) . . ?
O4_2 Cu4 O2_3 89.5(2) . . ?
O2_4 Cu4 O2_3 88.0(3) . . ?
O4_1 Cu4 O2_3 165.31(17) . . ?
O4_2 Cu4 O1A_8 98.2(7) . . ?
O2_4 Cu4 O1A_8 93.6(7) . . ?
O4_1 Cu4 O1A_8 101.6(8) . . ?
O2_3 Cu4 O1A_8 93.0(8) . . ?
O4_2 Cu4 O1B_8 103.1(8) . . ?
O2_4 Cu4 O1B_8 88.7(8) . . ?
O4_1 Cu4 O1B_8 103.1(9) . . ?
O2_3 Cu4 O1B_8 91.3(9) . . ?
O4_2 Cu4 Cu3 85.26(12) . . ?
O2_4 Cu4 Cu3 82.75(14) . . ?
O4_1 Cu4 Cu3 83.68(11) . . ?
O2_3 Cu4 Cu3 81.65(12) . . ?
O1A_8 Cu4 Cu3 173.6(7) . . ?
O1B_8 Cu4 Cu3 169.1(8) . . ?
O3_4 Cu5 O3_4 89.1(3) . 6_565 ?
O3_4 Cu5 O1_5 168.8(2) . . ?
O3_4 Cu5 O1_5 90.1(2) 6_565 . ?
O3_4 Cu5 O1_5 90.1(2) . 6_565 ?
O3_4 Cu5 O1_5 168.8(2) 6_565 6_565 ?
O1_5 Cu5 O1_5 88.6(3) . 6_565 ?
O3_4 Cu5 O3 91.0(4) . . ?
O3_4 Cu5 O3 91.0(4) 6_565 . ?
O1_5 Cu5 O3 100.2(4) . . ?
O1_5 Cu5 O3 100.2(4) 6_565 . ?
O3_4 Cu5 Cu6 83.20(16) . . ?
O3_4 Cu5 Cu6 83.20(16) 6_565 . ?
O1_5 Cu5 Cu6 85.63(17) . . ?
O1_5 Cu5 Cu6 85.63(17) 6_565 . ?
O3 Cu5 Cu6 171.9(5) . . ?
O4_4 Cu6 O4_4 88.6(4) . 6_565 ?
O4_4 Cu6 O2_5 169.2(2) . . ?
O4_4 Cu6 O2_5 90.2(2) 6_565 . ?
O4_4 Cu6 O2_5 90.2(2) . 6_565 ?
O4_4 Cu6 O2_5 169.2(2) 6_565 6_565 ?
O2_5 Cu6 O2_5 89.1(3) . 6_565 ?
O4_4 Cu6 O4 97.1(3) . . ?
O4_4 Cu6 O4 97.1(3) 6_565 . ?
O2_5 Cu6 O4 93.7(3) . . ?
O2_5 Cu6 O4 93.7(3) 6_565 . ?
O4_4 Cu6 Cu5 85.75(17) . . ?
O4_4 Cu6 Cu5 85.75(17) 6_565 . ?
O2_5 Cu6 Cu5 83.49(17) . . ?
O2_5 Cu6 Cu5 83.49(17) 6_565 . ?
O4 Cu6 Cu5 176.0(3) . . ?
O1_2 Cu7 O1_6 88.8(3) 5_666 . ?
O1_2 Cu7 O1_7 89.4(3) 5_666 . ?
O1_6 Cu7 O1_7 167.8(3) . . ?
O1_2 Cu7 O3_5 169.0(3) 5_666 . ?
O1_6 Cu7 O3_5 90.5(3) . . ?
O1_7 Cu7 O3_5 89.0(3) . . ?
O1_2 Cu7 O5 98.4(3) 5_666 . ?
O1_6 Cu7 O5 97.8(3) . . ?
O1_7 Cu7 O5 94.4(3) . . ?
O3_5 Cu7 O5 92.5(3) . . ?
O1_2 Cu7 Cu8 84.28(18) 5_666 . ?
O1_6 Cu7 Cu8 84.02(19) . . ?
O1_7 Cu7 Cu8 83.8(2) . . ?
O3_5 Cu7 Cu8 84.77(19) . . ?
O5 Cu7 Cu8 176.7(3) . . ?
O2_6 Cu8 O2_7 169.2(3) . . ?
O2_6 Cu8 O4_5 89.7(3) . . ?
O2_7 Cu8 O4_5 89.0(3) . . ?
O2_6 Cu8 O2_2 89.0(3) . 5_666 ?
O2_7 Cu8 O2_2 90.0(3) . 5_666 ?
O4_5 Cu8 O2_2 168.0(3) . 5_666 ?
O2_6 Cu8 O6 96.2(3) . . ?
O2_7 Cu8 O6 94.6(3) . . ?
O4_5 Cu8 O6 95.0(3) . . ?
O2_2 Cu8 O6 96.9(3) 5_666 . ?
O2_6 Cu8 Cu7 84.6(2) . . ?
O2_7 Cu8 Cu7 84.64(19) . . ?
O4_5 Cu8 Cu7 83.5(2) . . ?
O2_2 Cu8 Cu7 84.53(19) 5_666 . ?
O6 Cu8 Cu7 178.3(2) . . ?
C1_1 O1_1 Cu1 122.0(4) . . ?
C1_1 O2_1 Cu2 121.3(4) . . ?
C8_1 O3_1 Cu3 123.0(4) . . ?
C8_1 O4_1 Cu4 121.8(4) . . ?
C5_1 O5_1 C9_1 117.1(6) . . ?
O1_1 C1_1 O2_1 127.0(6) . . ?
O1_1 C1_1 C3_1 117.0(6) . . ?
O2_1 C1_1 C3_1 115.6(6) . . ?
C3_1 C2_1 C7_1 119.2(6) . . ?
C3_1 C2_1 H2_1 120.4 . . ?
C7_1 C2_1 H2_1 120.4 . . ?
C2_1 C3_1 C4_1 121.2(6) . . ?
C2_1 C3_1 C1_1 119.2(6) . . ?
C4_1 C3_1 C1_1 119.6(6) . . ?
C3_1 C4_1 C5_1 119.7(6) . . ?
C3_1 C4_1 H4_1 120.1 . . ?
C5_1 C4_1 H4_1 120.1 . . ?
O5_1 C5_1 C6_1 126.4(6) . . ?
O5_1 C5_1 C4_1 115.4(6) . . ?
C6_1 C5_1 C4_1 118.2(6) . . ?
C7_1 C6_1 C5_1 121.3(6) . . ?
C7_1 C6_1 H6_1 119.3 . . ?
C5_1 C6_1 H6_1 119.3 . . ?
C6_1 C7_1 C2_1 120.0(6) . . ?
C6_1 C7_1 C8_1 120.9(5) . . ?
C2_1 C7_1 C8_1 119.0(6) . . ?
O3_1 C8_1 O4_1 127.1(6) . . ?
O3_1 C8_1 C7_1 116.5(5) . . ?
O4_1 C8_1 C7_1 116.2(6) . . ?
O5_1 C9_1 C10_1 108.4(7) . . ?
O5_1 C9_1 H9A_1 110.0 . . ?
C10_1 C9_1 H9A_1 110.0 . . ?
O5_1 C9_1 H9B_1 110.0 . . ?
C10_1 C9_1 H9B_1 110.0 . . ?
H9A_1 C9_1 H9B_1 108.4 . . ?
C9_1 C10_1 C11_1 109.1(11) . . ?
C9_1 C10_1 H10A_1 109.9 . . ?
C11_1 C10_1 H10A_1 109.9 . . ?
C9_1 C10_1 H10B_1 109.9 . . ?
C11_1 C10_1 H10B_1 109.9 . . ?
H10A_1 C10_1 H10B_1 108.3 . . ?
C1_2 O1_2 Cu7 122.5(5) . 5_666 ?
C1_2 O2_2 Cu8 120.6(5) . 5_666 ?
C8_2 O3_2 Cu3 123.4(5) . . ?
C8_2 O4_2 Cu4 119.6(5) . . ?
C5_2 O5_2 C9_2 117.0(8) . . ?
O1_2 C1_2 O2_2 127.6(7) . . ?
O1_2 C1_2 C3_2 116.5(7) . . ?
O2_2 C1_2 C3_2 115.9(7) . . ?
C7_2 C2_2 C3_2 119.8(7) . . ?
C7_2 C2_2 H2_2 120.1 . . ?
C3_2 C2_2 H2_2 120.1 . . ?
C2_2 C3_2 C4_2 120.5(6) . . ?
C2_2 C3_2 C1_2 119.7(7) . . ?
C4_2 C3_2 C1_2 119.6(7) . . ?
C3_2 C4_2 C5_2 118.6(8) . . ?
C3_2 C4_2 H4_2 120.7 . . ?
C5_2 C4_2 H4_2 120.7 . . ?
C6_2 C5_2 O5_2 125.0(7) . . ?
C6_2 C5_2 C4_2 121.4(7) . . ?
O5_2 C5_2 C4_2 113.6(8) . . ?
C5_2 C6_2 C7_2 119.3(6) . . ?
C5_2 C6_2 H6_2 120.3 . . ?
C7_2 C6_2 H6_2 120.3 . . ?
C2_2 C7_2 C6_2 120.3(8) . . ?
C2_2 C7_2 C8_2 119.3(7) . . ?
C6_2 C7_2 C8_2 120.3(6) . . ?
O3_2 C8_2 O4_2 129.6(7) . . ?
O3_2 C8_2 C7_2 114.2(5) . . ?
O4_2 C8_2 C7_2 115.9(6) . . ?
O5_2 C9_2 C10_2 108.9(10) . . ?
O5_2 C9_2 H9A_2 109.9 . . ?
C10_2 C9_2 H9A_2 109.9 . . ?
O5_2 C9_2 H9B_2 109.9 . . ?
C10_2 C9_2 H9B_2 109.9 . . ?
H9A_2 C9_2 H9B_2 108.3 . . ?
C1_3 O1_3 Cu3 120.9(5) . . ?
C1_3 O2_3 Cu4 124.9(4) . . ?
C5_3 O5_3 C9_3 123.5(11) . . ?
C5_3 O5_3 C9_3 123.5(11) . 6_565 ?
C9_3 O5_3 C9_3 93(3) . 6_565 ?
O2_3 C1_3 O1_3 126.5(6) . . ?
O2_3 C1_3 C3_3 118.2(6) . . ?
O1_3 C1_3 C3_3 115.3(6) . . ?
C3_3 C2_3 C3_3 120.5(8) . 6_565 ?
C3_3 C2_3 H2_3 119.7 . . ?
C3_3 C2_3 H2_3 119.7 6_565 . ?
C2_3 C3_3 C4_3 120.4(7) . . ?
C2_3 C3_3 C1_3 121.0(6) . . ?
C4_3 C3_3 C1_3 118.6(6) . . ?
C5_3 C4_3 C3_3 117.8(7) . . ?
C5_3 C4_3 H4_3 121.1 . . ?
C3_3 C4_3 H4_3 121.1 . . ?
O5_3 C5_3 C4_3 118.6(5) . 6_565 ?
O5_3 C5_3 C4_3 118.6(5) . . ?
C4_3 C5_3 C4_3 122.8(9) 6_565 . ?
C1_4 O1_4 Cu3 120.2(5) . . ?
C1_4 O2_4 Cu4 123.3(5) . . ?
C8_4 O3_4 Cu5 123.2(6) . . ?
C8_4 O4_4 Cu6 120.6(5) . . ?
C5_4 O5_4 C9_6 112.6(11) . . ?
O2_4 C1_4 O1_4 128.6(8) . . ?
O2_4 C1_4 C3_4 117.2(6) . . ?
O1_4 C1_4 C3_4 114.0(7) . . ?
C3_4 C2_4 C7_4 121.6(7) . . ?
C3_4 C2_4 H2_4 119.2 . . ?
C7_4 C2_4 H2_4 119.2 . . ?
C2_4 C3_4 C4_4 120.0(9) . . ?
C2_4 C3_4 C1_4 121.8(7) . . ?
C4_4 C3_4 C1_4 118.0(8) . . ?
C5_4 C4_4 C3_4 117.8(9) . . ?
C5_4 C4_4 H4_4 121.1 . . ?
C3_4 C4_4 H4_4 121.1 . . ?
C4_4 C5_4 O5_4 123.2(10) . . ?
C4_4 C5_4 C6_4 121.9(9) . . ?
O5_4 C5_4 C6_4 114.8(10) . . ?
C7_4 C6_4 C5_4 118.6(9) . . ?
C7_4 C6_4 H6_4 120.7 . . ?
C5_4 C6_4 H6_4 120.7 . . ?
C6_4 C7_4 C2_4 119.9(8) . . ?
C6_4 C7_4 C8_4 119.5(8) . . ?
C2_4 C7_4 C8_4 120.5(7) . . ?
O4_4 C8_4 O3_4 126.8(8) . . ?
O4_4 C8_4 C7_4 116.9(7) . . ?
O3_4 C8_4 C7_4 116.0(7) . . ?
C1_5 O1_5 Cu5 119.1(5) . . ?
C1_5 O2_5 Cu6 120.9(6) . . ?
C8_5 O3_5 Cu7 121.7(5) . . ?
C8_5 O4_5 Cu8 121.5(6) . . ?
C5_5 O5_5 C9_5 119.5(9) . . ?
O1_5 C1_5 O2_5 130.5(7) . . ?
O1_5 C1_5 C3_5 116.1(6) . . ?
O2_5 C1_5 C3_5 113.3(7) . . ?
C3_5 C2_5 C7_5 119.0(8) . . ?
C3_5 C2_5 H2_5 120.5 . . ?
C7_5 C2_5 H2_5 120.5 . . ?
C2_5 C3_5 C4_5 120.3(8) . . ?
C2_5 C3_5 C1_5 119.1(8) . . ?
C4_5 C3_5 C1_5 120.3(7) . . ?
C3_5 C4_5 C5_5 120.5(7) . . ?
C3_5 C4_5 H4_5 119.7 . . ?
C5_5 C4_5 H4_5 119.7 . . ?
C4_5 C5_5 O5_5 126.0(8) . . ?
C4_5 C5_5 C6_5 118.4(9) . . ?
O5_5 C5_5 C6_5 115.6(8) . . ?
C7_5 C6_5 C5_5 121.1(9) . . ?
C7_5 C6_5 H6_5 119.4 . . ?
C5_5 C6_5 H6_5 119.4 . . ?
C6_5 C7_5 C2_5 120.7(7) . . ?
C6_5 C7_5 C8_5 122.2(8) . . ?
C2_5 C7_5 C8_5 116.9(8) . . ?
O3_5 C8_5 O4_5 127.8(7) . . ?
O3_5 C8_5 C7_5 118.5(7) . . ?
O4_5 C8_5 C7_5 113.3(8) . . ?
O5_5 C9_5 C10_5 108.0(11) . . ?
O5_5 C9_5 H9A_5 110.1 . . ?
C10_5 C9_5 H9A_5 110.1 . . ?
O5_5 C9_5 H9B_5 110.1 . . ?
C10_5 C9_5 H9B_5 110.1 . . ?
H9A_5 C9_5 H9B_5 108.4 . . ?
C9_5 C10_5 C11_5 119.8(15) . . ?
C9_5 C10_5 H10A_5 107.4 . . ?
C11_5 C10_5 H10A_5 107.4 . . ?
C9_5 C10_5 H10B_5 107.4 . . ?
C11_5 C10_5 H10B_5 107.4 . . ?
H10A_5 C10_5 H10B_5 106.9 . . ?
C1_6 O1_6 Cu7 122.7(7) . . ?
C1_6 O2_6 Cu8 120.6(6) . . ?
C8_6 O3_6 Cu1 122.1(6) . 5_666 ?
C8_6 O4_6 Cu2 119.7(6) . 5_666 ?
O1_6 C1_6 O2_6 127.7(9) . . ?
O1_6 C1_6 C3_6 117.1(9) . . ?
O2_6 C1_6 C3_6 115.1(8) . . ?
C3_6 C2_6 C7_6 117.9(9) . . ?
C3_6 C2_6 H2_6 121.0 . . ?
C7_6 C2_6 H2_6 121.0 . . ?
C2_6 C3_6 C4_6 121.4(10) . . ?
C2_6 C3_6 C1_6 118.1(8) . . ?
C4_6 C3_6 C1_6 120.4(10) . . ?
C5_6 C4_6 C3_6 118.9(13) . . ?
C5_6 C4_6 H4_6 120.6 . . ?
C3_6 C4_6 H4_6 120.6 . . ?
C6_6 C5_6 C4_6 120.7(12) . . ?
C6_6 C5_6 O5_6 121.1(13) . . ?
C4_6 C5_6 O5_6 118.0(14) . . ?
C5_6 C6_6 C7_6 121.3(11) . . ?
C5_6 C6_6 H6_6 119.4 . . ?
C7_6 C6_6 H6_6 119.4 . . ?
C6_6 C7_6 C2_6 119.9(10) . . ?
C6_6 C7_6 C8_6 121.7(9) . . ?
C2_6 C7_6 C8_6 118.4(8) . . ?
O3_6 C8_6 O4_6 128.9(9) . . ?
O3_6 C8_6 C7_6 117.5(7) . . ?
O4_6 C8_6 C7_6 113.5(8) . . ?
C1_7 O1_7 Cu7 121.9(6) . . ?
C1_7 O2_7 Cu8 120.8(7) . . ?
O2_7 C1_7 O1_7 128.8(9) . . ?
O2_7 C1_7 C3_7 115.4(9) . . ?
O1_7 C1_7 C3_7 115.8(8) . . ?
C3_7 C2_7 C3_7 116.3(13) . 6_565 ?
C3_7 C2_7 H2_7 121.9 . . ?
C3_7 C2_7 H2_7 121.9 6_565 . ?
C4_7 C3_7 C2_7 122.0(10) . . ?
C4_7 C3_7 C1_7 120.7(9) . . ?
C2_7 C3_7 C1_7 117.3(9) . . ?
C3_7 C4_7 C5_7 119.8(11) . . ?
C3_7 C4_7 H4_7 120.1 . . ?
C5_7 C4_7 H4_7 120.1 . . ?
C4_7 C5_7 C4_7 119.7(16) 6_565 . ?
C4_7 C5_7 O5_7 120.1(8) 6_565 . ?
C4_7 C5_7 O5_7 120.1(8) . . ?
C1A_8 O1A_8 Cu4 116.2(17) . . ?
C1A_8 N1A_8 C3A_8 119.8(14) . . ?
C1A_8 N1A_8 C2A_8 118.3(13) . . ?
C3A_8 N1A_8 C2A_8 121.7(12) . . ?
N1A_8 C1A_8 O1A_8 123.2(16) . . ?
N1A_8 C1A_8 H1A_8 118.4 . . ?
O1A_8 C1A_8 H1A_8 118.4 . . ?
N1A_8 C2A_8 H2AA_8 109.5 . . ?
N1A_8 C2A_8 H2AB_8 109.5 . . ?
H2AA_8 C2A_8 H2AB_8 109.5 . . ?
N1A_8 C2A_8 H2AC_8 109.5 . . ?
H2AA_8 C2A_8 H2AC_8 109.5 . . ?
H2AB_8 C2A_8 H2AC_8 109.5 . . ?
N1A_8 C3A_8 H3AA_8 109.5 . . ?
N1A_8 C3A_8 H3AB_8 109.5 . . ?
H3AA_8 C3A_8 H3AB_8 109.5 . . ?
N1A_8 C3A_8 H3AC_8 109.5 . . ?
H3AA_8 C3A_8 H3AC_8 109.5 . . ?
H3AB_8 C3A_8 H3AC_8 109.5 . . ?
C1B_8 O1B_8 Cu4 116(2) . . ?
C1B_8 N1B_8 C3B_8 121.7(16) . . ?
C1B_8 N1B_8 C2B_8 123.4(16) . . ?
C3B_8 N1B_8 C2B_8 114.8(15) . . ?
O1B_8 C1B_8 N1B_8 118(2) . . ?
O1B_8 C1B_8 H1B_8 120.8 . . ?
N1B_8 C1B_8 H1B_8 120.8 . . ?
N1B_8 C2B_8 H2BA_8 109.5 . . ?
N1B_8 C2B_8 H2BB_8 109.5 . . ?
H2BA_8 C2B_8 H2BB_8 109.5 . . ?
N1B_8 C2B_8 H2BC_8 109.5 . . ?
H2BA_8 C2B_8 H2BC_8 109.5 . . ?
H2BB_8 C2B_8 H2BC_8 109.5 . . ?
N1B_8 C3B_8 H3BA_8 109.5 . . ?
N1B_8 C3B_8 H3BB_8 109.5 . . ?
H3BA_8 C3B_8 H3BB_8 109.5 . . ?
N1B_8 C3B_8 H3BC_8 109.5 . . ?
H3BA_8 C3B_8 H3BC_8 109.5 . . ?
H3BB_8 C3B_8 H3BC_8 109.5 . . ?
C1_9 O1_9 Cu3 104.4(4) . . ?
C1_9 N1_9 C3_9 121.8 . . ?
C1_9 N1_9 C2_9 120.6 . . ?
C3_9 N1_9 C2_9 117.7 . . ?
O1_9 C1_9 N1_9 126.0 . . ?
O1_9 C1_9 H1_9 117.0 . . ?
N1_9 C1_9 H1_9 117.0 . . ?
N1_9 C2_9 H2A_9 109.5 . . ?
N1_9 C2_9 H2B_9 109.5 . . ?
H2A_9 C2_9 H2B_9 109.5 . . ?
N1_9 C2_9 H2C_9 109.5 . . ?
H2A_9 C2_9 H2C_9 109.5 . . ?
H2B_9 C2_9 H2C_9 109.5 . . ?
N1_9 C3_9 H3A_9 109.5 . . ?
N1_9 C3_9 H3B_9 109.5 . . ?
H3A_9 C3_9 H3B_9 109.5 . . ?
N1_9 C3_9 H3C_9 109.5 . . ?
H3A_9 C3_9 H3C_9 109.5 . . ?
H3B_9 C3_9 H3C_9 109.5 . . ?

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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cu1 O1_1 C1_1 O2_1 12.7(14) . . . . ?
Cu1 O1_1 C1_1 C3_1 -174.4(6) . . . . ?
Cu2 O2_1 C1_1 O1_1 -12.9(14) . . . . ?
Cu2 O2_1 C1_1 C3_1 174.2(6) . . . . ?
C7_1 C2_1 C3_1 C4_1 -4.8(13) . . . . ?
C7_1 C2_1 C3_1 C1_1 171.8(8) . . . . ?
O1_1 C1_1 C3_1 C2_1 11.2(13) . . . . ?
O2_1 C1_1 C3_1 C2_1 -175.2(8) . . . . ?
O1_1 C1_1 C3_1 C4_1 -172.1(8) . . . . ?
O2_1 C1_1 C3_1 C4_1 1.5(13) . . . . ?
C2_1 C3_1 C4_1 C5_1 1.4(14) . . . . ?
C1_1 C3_1 C4_1 C5_1 -175.2(9) . . . . ?
C9_1 O5_1 C5_1 C6_1 -14.3(15) . . . . ?
C9_1 O5_1 C5_1 C4_1 168.8(9) . . . . ?
C3_1 C4_1 C5_1 O5_1 -178.3(8) . . . . ?
C3_1 C4_1 C5_1 C6_1 4.5(14) . . . . ?
O5_1 C5_1 C6_1 C7_1 176.0(9) . . . . ?
C4_1 C5_1 C6_1 C7_1 -7.2(14) . . . . ?
C5_1 C6_1 C7_1 C2_1 3.9(13) . . . . ?
C5_1 C6_1 C7_1 C8_1 -179.6(8) . . . . ?
C3_1 C2_1 C7_1 C6_1 2.2(13) . . . . ?
C3_1 C2_1 C7_1 C8_1 -174.3(8) . . . . ?
Cu3 O3_1 C8_1 O4_1 -6.1(12) . . . . ?
Cu3 O3_1 C8_1 C7_1 178.2(5) . . . . ?
Cu4 O4_1 C8_1 O3_1 7.8(12) . . . . ?
Cu4 O4_1 C8_1 C7_1 -176.5(5) . . . . ?
C6_1 C7_1 C8_1 O3_1 178.1(8) . . . . ?
C2_1 C7_1 C8_1 O3_1 -5.4(12) . . . . ?
C6_1 C7_1 C8_1 O4_1 2.0(12) . . . . ?
C2_1 C7_1 C8_1 O4_1 178.5(7) . . . . ?
C5_1 O5_1 C9_1 C10_1 -166.3(10) . . . . ?
O5_1 C9_1 C10_1 C11_1 175.7(15) . . . . ?
Cu7 O1_2 C1_2 O2_2 -9.5(14) 5_666 . . . ?
Cu7 O1_2 C1_2 C3_2 174.3(5) 5_666 . . . ?
Cu8 O2_2 C1_2 O1_2 8.5(13) 5_666 . . . ?
Cu8 O2_2 C1_2 C3_2 -175.2(5) 5_666 . . . ?
C7_2 C2_2 C3_2 C4_2 0.3(12) . . . . ?
C7_2 C2_2 C3_2 C1_2 -173.5(7) . . . . ?
O1_2 C1_2 C3_2 C2_2 -11.4(12) . . . . ?
O2_2 C1_2 C3_2 C2_2 171.9(8) . . . . ?
O1_2 C1_2 C3_2 C4_2 174.8(8) . . . . ?
O2_2 C1_2 C3_2 C4_2 -1.9(12) . . . . ?
C2_2 C3_2 C4_2 C5_2 1.1(13) . . . . ?
C1_2 C3_2 C4_2 C5_2 174.9(8) . . . . ?
C9_2 O5_2 C5_2 C6_2 12.4(15) . . . . ?
C9_2 O5_2 C5_2 C4_2 -168.7(10) . . . . ?
C3_2 C4_2 C5_2 C6_2 -3.8(14) . . . . ?
C3_2 C4_2 C5_2 O5_2 177.3(8) . . . . ?
O5_2 C5_2 C6_2 C7_2 -176.3(8) . . . . ?
C4_2 C5_2 C6_2 C7_2 4.9(13) . . . . ?
C3_2 C2_2 C7_2 C6_2 0.8(11) . . . . ?
C3_2 C2_2 C7_2 C8_2 177.1(6) . . . . ?
C5_2 C6_2 C7_2 C2_2 -3.3(11) . . . . ?
C5_2 C6_2 C7_2 C8_2 -179.6(7) . . . . ?
Cu3 O3_2 C8_2 O4_2 8.1(11) . . . . ?
Cu3 O3_2 C8_2 C7_2 -178.1(4) . . . . ?
Cu4 O4_2 C8_2 O3_2 -8.9(10) . . . . ?
Cu4 O4_2 C8_2 C7_2 177.4(4) . . . . ?
C2_2 C7_2 C8_2 O3_2 6.2(9) . . . . ?
C6_2 C7_2 C8_2 O3_2 -177.5(6) . . . . ?
C2_2 C7_2 C8_2 O4_2 -179.1(6) . . . . ?
C6_2 C7_2 C8_2 O4_2 -2.8(9) . . . . ?
C5_2 O5_2 C9_2 C10_2 159.0(13) . . . . ?
Cu4 O2_3 C1_3 O1_3 5.1(13) . . . . ?
Cu4 O2_3 C1_3 C3_3 -177.1(6) . . . . ?
Cu3 O1_3 C1_3 O2_3 -4.7(13) . . . . ?
Cu3 O1_3 C1_3 C3_3 177.5(6) . . . . ?
C3_3 C2_3 C3_3 C4_3 4.0(18) 6_565 . . . ?
C3_3 C2_3 C3_3 C1_3 -174.6(7) 6_565 . . . ?
O2_3 C1_3 C3_3 C2_3 172.2(9) . . . . ?
O1_3 C1_3 C3_3 C2_3 -9.8(13) . . . . ?
O2_3 C1_3 C3_3 C4_3 -6.4(13) . . . . ?
O1_3 C1_3 C3_3 C4_3 171.6(9) . . . . ?
C2_3 C3_3 C4_3 C5_3 -2.4(17) . . . . ?
C1_3 C3_3 C4_3 C5_3 176.2(11) . . . . ?
C9_3 O5_3 C5_3 C4_3 150(2) . . . 6_565 ?
C9_3 O5_3 C5_3 C4_3 29(3) 6_565 . . 6_565 ?
C9_3 O5_3 C5_3 C4_3 -29(3) . . . . ?
C9_3 O5_3 C5_3 C4_3 -150(2) 6_565 . . . ?
C3_3 C4_3 C5_3 O5_3 -179.9(14) . . . . ?
C3_3 C4_3 C5_3 C4_3 1(2) . . . 6_565 ?
Cu4 O2_4 C1_4 O1_4 -6.1(13) . . . . ?
Cu4 O2_4 C1_4 C3_4 179.4(5) . . . . ?
Cu3 O1_4 C1_4 O2_4 6.6(12) . . . . ?
Cu3 O1_4 C1_4 C3_4 -178.8(5) . . . . ?
C7_4 C2_4 C3_4 C4_4 -0.2(15) . . . . ?
C7_4 C2_4 C3_4 C1_4 174.5(8) . . . . ?
O2_4 C1_4 C3_4 C2_4 -173.4(8) . . . . ?
O1_4 C1_4 C3_4 C2_4 11.3(12) . . . . ?
O2_4 C1_4 C3_4 C4_4 1.4(14) . . . . ?
O1_4 C1_4 C3_4 C4_4 -173.9(10) . . . . ?
C2_4 C3_4 C4_4 C5_4 -2.3(19) . . . . ?
C1_4 C3_4 C4_4 C5_4 -177.2(12) . . . . ?
C3_4 C4_4 C5_4 O5_4 -179.6(14) . . . . ?
C3_4 C4_4 C5_4 C6_4 5(2) . . . . ?
C9_6 O5_4 C5_4 C4_4 2(3) . . . . ?
C9_6 O5_4 C5_4 C6_4 177.6(18) . . . . ?
C4_4 C5_4 C6_4 C7_4 -5(2) . . . . ?
O5_4 C5_4 C6_4 C7_4 179.0(13) . . . . ?
C5_4 C6_4 C7_4 C2_4 2.6(17) . . . . ?
C5_4 C6_4 C7_4 C8_4 178.0(11) . . . . ?
C3_4 C2_4 C7_4 C6_4 0.0(14) . . . . ?
C3_4 C2_4 C7_4 C8_4 -175.3(8) . . . . ?
Cu6 O4_4 C8_4 O3_4 7.6(13) . . . . ?
Cu6 O4_4 C8_4 C7_4 -177.8(6) . . . . ?
Cu5 O3_4 C8_4 O4_4 -8.5(13) . . . . ?
Cu5 O3_4 C8_4 C7_4 176.9(5) . . . . ?
C6_4 C7_4 C8_4 O4_4 -1.6(13) . . . . ?
C2_4 C7_4 C8_4 O4_4 173.7(8) . . . . ?
C6_4 C7_4 C8_4 O3_4 173.5(9) . . . . ?
C2_4 C7_4 C8_4 O3_4 -11.1(12) . . . . ?
Cu5 O1_5 C1_5 O2_5 -7.0(12) . . . . ?
Cu5 O1_5 C1_5 C3_5 175.3(5) . . . . ?
Cu6 O2_5 C1_5 O1_5 7.7(12) . . . . ?
Cu6 O2_5 C1_5 C3_5 -174.6(5) . . . . ?
C7_5 C2_5 C3_5 C4_5 -1.1(13) . . . . ?
C7_5 C2_5 C3_5 C1_5 -175.3(8) . . . . ?
O1_5 C1_5 C3_5 C2_5 -7.1(12) . . . . ?
O2_5 C1_5 C3_5 C2_5 174.8(7) . . . . ?
O1_5 C1_5 C3_5 C4_5 178.6(8) . . . . ?
O2_5 C1_5 C3_5 C4_5 0.6(12) . . . . ?
C2_5 C3_5 C4_5 C5_5 0.9(15) . . . . ?
C1_5 C3_5 C4_5 C5_5 175.1(9) . . . . ?
C3_5 C4_5 C5_5 O5_5 178.6(10) . . . . ?
C3_5 C4_5 C5_5 C6_5 0.0(16) . . . . ?
C9_5 O5_5 C5_5 C4_5 0.2(19) . . . . ?
C9_5 O5_5 C5_5 C6_5 178.9(11) . . . . ?
C4_5 C5_5 C6_5 C7_5 -0.7(17) . . . . ?
O5_5 C5_5 C6_5 C7_5 -179.5(10) . . . . ?
C5_5 C6_5 C7_5 C2_5 0.6(16) . . . . ?
C5_5 C6_5 C7_5 C8_5 -174.1(9) . . . . ?
C3_5 C2_5 C7_5 C6_5 0.3(14) . . . . ?
C3_5 C2_5 C7_5 C8_5 175.3(8) . . . . ?
Cu7 O3_5 C8_5 O4_5 10.6(15) . . . . ?
Cu7 O3_5 C8_5 C7_5 -176.6(6) . . . . ?
Cu8 O4_5 C8_5 O3_5 -10.6(15) . . . . ?
Cu8 O4_5 C8_5 C7_5 176.3(6) . . . . ?
C6_5 C7_5 C8_5 O3_5 -177.6(10) . . . . ?
C2_5 C7_5 C8_5 O3_5 7.6(14) . . . . ?
C6_5 C7_5 C8_5 O4_5 -3.7(14) . . . . ?
C2_5 C7_5 C8_5 O4_5 -178.6(8) . . . . ?
C5_5 O5_5 C9_5 C10_5 -170.7(13) . . . . ?
O5_5 C9_5 C10_5 C11_5 162.7(17) . . . . ?
Cu7 O1_6 C1_6 O2_6 -7.6(11) . . . . ?
Cu7 O1_6 C1_6 C3_6 177.2(4) . . . . ?
Cu8 O2_6 C1_6 O1_6 8.4(11) . . . . ?
Cu8 O2_6 C1_6 C3_6 -176.3(4) . . . . ?
C7_6 C2_6 C3_6 C4_6 -0.6(12) . . . . ?
C7_6 C2_6 C3_6 C1_6 -176.5(6) . . . . ?
O1_6 C1_6 C3_6 C2_6 -8.2(10) . . . . ?
O2_6 C1_6 C3_6 C2_6 176.0(7) . . . . ?
O1_6 C1_6 C3_6 C4_6 175.9(8) . . . . ?
O2_6 C1_6 C3_6 C4_6 0.1(11) . . . . ?
C2_6 C3_6 C4_6 C5_6 1.4(16) . . . . ?
C1_6 C3_6 C4_6 C5_6 177.1(10) . . . . ?
C3_6 C4_6 C5_6 C6_6 -1(2) . . . . ?
C3_6 C4_6 C5_6 O5_6 174.1(12) . . . . ?
C4_6 C5_6 C6_6 C7_6 0(2) . . . . ?
O5_6 C5_6 C6_6 C7_6 -174.9(13) . . . . ?
C5_6 C6_6 C7_6 C2_6 0.6(17) . . . . ?
C5_6 C6_6 C7_6 C8_6 -177.8(11) . . . . ?
C3_6 C2_6 C7_6 C6_6 -0.3(11) . . . . ?
C3_6 C2_6 C7_6 C8_6 178.1(6) . . . . ?
Cu1 O3_6 C8_6 O4_6 6.6(10) 5_666 . . . ?
Cu1 O3_6 C8_6 C7_6 -178.2(4) 5_666 . . . ?
Cu2 O4_6 C8_6 O3_6 -6.6(10) 5_666 . . . ?
Cu2 O4_6 C8_6 C7_6 178.1(4) 5_666 . . . ?
C6_6 C7_6 C8_6 O3_6 -173.0(8) . . . . ?
C2_6 C7_6 C8_6 O3_6 8.6(9) . . . . ?
C6_6 C7_6 C8_6 O4_6 2.9(10) . . . . ?
C2_6 C7_6 C8_6 O4_6 -175.5(6) . . . . ?
Cu8 O2_7 C1_7 O1_7 4.6(11) . . . . ?
Cu8 O2_7 C1_7 C3_7 -175.2(5) . . . . ?
Cu7 O1_7 C1_7 O2_7 -4.5(12) . . . . ?
Cu7 O1_7 C1_7 C3_7 175.3(5) . . . . ?
C3_7 C2_7 C3_7 C4_7 7.4(16) 6_565 . . . ?
C3_7 C2_7 C3_7 C1_7 -173.6(5) 6_565 . . . ?
O2_7 C1_7 C3_7 C4_7 -3.8(12) . . . . ?
O1_7 C1_7 C3_7 C4_7 176.4(8) . . . . ?
O2_7 C1_7 C3_7 C2_7 177.2(8) . . . . ?
O1_7 C1_7 C3_7 C2_7 -2.7(11) . . . . ?
C2_7 C3_7 C4_7 C5_7 -2.9(18) . . . . ?
C1_7 C3_7 C4_7 C5_7 178.1(12) . . . . ?
C3_7 C4_7 C5_7 C4_7 -2(3) . . . 6_565 ?
C3_7 C4_7 C5_7 O5_7 -177.5(14) . . . . ?
C3A_8 N1A_8 C1A_8 O1A_8 -178.3(19) . . . . ?
C2A_8 N1A_8 C1A_8 O1A_8 6(3) . . . . ?
Cu4 O1A_8 C1A_8 N1A_8 172.5(14) . . . . ?
Cu4 O1B_8 C1B_8 N1B_8 -170.8(16) . . . . ?
C3B_8 N1B_8 C1B_8 O1B_8 175(2) . . . . ?
C2B_8 N1B_8 C1B_8 O1B_8 -10(3) . . . . ?
Cu3 O1_9 C1_9 N1_9 172.4(6) . . . . ?
C3_9 N1_9 C1_9 O1_9 179.9 . . . . ?
C2_9 N1_9 C1_9 O1_9 0.0 . . . . ?

_refine_diff_density_max         1.351
_refine_diff_density_min         -1.113
_refine_diff_density_rms         0.103


