# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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 
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data_p13_020i4m_sq
_database_code_depnum_ccdc_archive 'CCDC 985419'
_audit_update_record             
;
2015-01-09 deposited with the CCDC.
2015-01-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C216 H184 Cu24 N8 O144'
_chemical_formula_weight         6720.66

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0074 0.0035 '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 0.0135 0.0071 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0225 0.0128 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -0.0744 2.2856 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           87
_space_group_name_H-M_alt        'I 4/m'
_space_group_name_Hall           '-I 4'

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

_cell_length_a                   28.096(4)
_cell_length_b                   28.096(4)
_cell_length_c                   40.947(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     32323(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    259834
_cell_measurement_theta_min      2.885
_cell_measurement_theta_max      32.400

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    0.691
_exptl_crystal_F_000             6768
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    2.042
_exptl_absorpt_correction_type   Multi-scans
_exptl_absorpt_correction_T_min  0.710
_exptl_absorpt_correction_T_max  0.710
_exptl_absorpt_process_details   HKL3000
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.000
_diffrn_radiation_type           synchrotron
_diffrn_radiation_source         'PLSII 2D bending magnet'
_diffrn_measurement_device_type  'ADSC Q210 CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            60455
_diffrn_reflns_av_unetI/netI     0.0221
_diffrn_reflns_av_R_equivalents  0.0420
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_theta_min         2.885
_diffrn_reflns_theta_max         29.997
_diffrn_reflns_theta_full        29.997
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.985
_reflns_number_total             8507
_reflns_number_gt                4439
_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       'PAL ADSC Quantum-210 ADX Program'
_computing_cell_refinement       HKL3000
_computing_data_reduction        HKL3000
_computing_structure_solution    SHELXS
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond 3'
_computing_publication_material  WinGX
_refine_special_details          ?
_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     ?
_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         8507
_refine_ls_number_parameters     406
_refine_ls_number_restraints     190
_refine_ls_R_factor_all          0.1456
_refine_ls_R_factor_gt           0.1132
_refine_ls_wR_factor_ref         0.4021
_refine_ls_wR_factor_gt          0.3621
_refine_ls_goodness_of_fit_ref   1.446
_refine_ls_restrained_S_all      1.476
_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 0.65602(9) 0.71813(9) 0.18072(5) 0.3291(13) Uani 1 1 d . . . . .
Cu2 Cu 0.61840(5) 0.66417(5) 0.13487(3) 0.2528(9) Uani 1 1 d . . . . .
Cu3 Cu 0.87492(8) 0.5639(2) 0.0000 0.384(2) Uani 1 2 d S T P . .
Cu4 Cu 0.78260(5) 0.54744(9) 0.0000 0.2680(11) Uani 1 2 d S T P . .
O1 O 0.7151(4) 0.7164(4) 0.1521(2) 0.378(6) Uani 1 1 d D U . . .
O2 O 0.6823(3) 0.6688(3) 0.11452(18) 0.293(4) Uani 1 1 d D . . . .
O3 O 0.8594(3) 0.6108(5) 0.0342(2) 0.361(6) Uani 1 1 d D U . . .
O4 O 0.7816(3) 0.5992(3) 0.03363(16) 0.291(4) Uani 1 1 d D . . . .
O5 O 0.8769(6) 0.7494(7) 0.1121(4) 0.581(13) Uani 1 1 d D U . . .
C1 C 0.7620(4) 0.6890(5) 0.1100(3) 0.410(9) Uani 1 1 d DG U . . .
C2 C 0.7694(4) 0.6550(4) 0.0858(3) 0.372(9) Uani 1 1 d DG U . . .
H2 H 0.7449 0.6329 0.0806 0.446 Uiso 1 1 calc R U . . .
C3 C 0.8126(5) 0.6534(5) 0.0693(3) 0.400(11) Uani 1 1 d DG . . . .
C4 C 0.8483(4) 0.6857(6) 0.0769(3) 0.451(15) Uani 1 1 d DG . . . .
H4 H 0.8778 0.6846 0.0656 0.541 Uiso 1 1 calc R U . . .
C5 C 0.8409(4) 0.7197(5) 0.1011(3) 0.448(12) Uani 1 1 d DG U . . .
C6 C 0.7977(5) 0.7213(5) 0.1176(3) 0.454(11) Uani 1 1 d DG U . . .
H6 H 0.7927 0.7445 0.1341 0.544 Uiso 1 1 calc R U . . .
C7 C 0.7174(5) 0.6918(5) 0.1268(3) 0.346(8) Uani 1 1 d D U . . .
C8 C 0.8184(5) 0.6203(5) 0.0445(4) 0.325(7) Uani 1 1 d D U . . .
O6 O 0.6726(3) 0.6588(5) 0.19947(17) 0.334(5) Uani 1 1 d D . . . .
O7 O 0.6398(3) 0.6111(2) 0.16186(15) 0.258(3) Uani 1 1 d D . . . .
O8 O 0.7114(3) 0.4066(4) 0.20070(19) 0.307(4) Uani 1 1 d D . . . .
O9 O 0.6675(2) 0.4390(3) 0.16157(16) 0.249(3) Uani 1 1 d D . . . .
O10 O 0.7380(6) 0.5361(5) 0.2810(2) 0.480(9) Uani 1 1 d D . . . .
C9 C 0.6821(3) 0.5719(3) 0.20369(17) 0.288(6) Uani 1 1 d DG . . . .
C10 C 0.67659(19) 0.5275(3) 0.18930(14) 0.259(4) Uani 1 1 d DG . . . .
H10A H 0.6632 0.5249 0.1681 0.310 Uiso 1 1 calc R U . . .
C11 C 0.6907(2) 0.4867(3) 0.20597(15) 0.301(7) Uani 1 1 d DG . . . .
C12 C 0.7103(3) 0.4905(4) 0.23703(13) 0.373(8) Uani 1 1 d DG U . . .
H12 H 0.7200 0.4626 0.2484 0.447 Uiso 1 1 calc R U . . .
C13 C 0.7158(3) 0.5349(4) 0.25141(14) 0.397(10) Uani 1 1 d DG U . . .
C14 C 0.7017(3) 0.5757(4) 0.23474(18) 0.389(10) Uani 1 1 d DG . . . .
H14 H 0.7055 0.6061 0.2446 0.467 Uiso 1 1 calc R U . . .
C15 C 0.6634(5) 0.6146(5) 0.1881(3) 0.300(6) Uani 1 1 d D . . . .
C16 C 0.6902(5) 0.4408(5) 0.1879(3) 0.273(5) Uani 1 1 d D . . . .
O11 O 0.8758(3) 0.5146(5) 0.0325(3) 0.393(8) Uani 1 1 d D . . . .
O12 O 0.7973(2) 0.5007(3) 0.03312(16) 0.274(3) Uani 1 1 d D . . . .
O13 O 0.7698(3) 0.3693(4) 0.1530(2) 0.356(5) Uani 1 1 d D . . . .
O14 O 0.7245(2) 0.3975(3) 0.11450(17) 0.276(3) Uani 1 1 d D . . . .
O15 O 0.9380(4) 0.4042(9) 0.1183(4) 0.658(16) Uani 1 1 d D U . . .
C17 C 0.8425(3) 0.4612(4) 0.07163(16) 0.386(12) Uani 1 1 d DG . . . .
C18 C 0.8024(3) 0.4403(3) 0.08543(14) 0.315(7) Uani 1 1 d DG U . . .
H18 H 0.7716 0.4501 0.0787 0.378 Uiso 1 1 calc R U . . .
C19 C 0.8075(3) 0.4050(3) 0.10900(18) 0.334(8) Uani 1 1 d DG U . . .
C20 C 0.8527(3) 0.3907(4) 0.11878(19) 0.540(15) Uani 1 1 d DG U . . .
H20 H 0.8561 0.3666 0.1349 0.648 Uiso 1 1 calc R U . . .
C21 C 0.8928(3) 0.4116(4) 0.10498(19) 0.553(13) Uani 1 1 d DG U . . .
C22 C 0.8877(3) 0.4468(4) 0.08141(19) 0.526(14) Uani 1 1 d DG U . . .
H22 H 0.9151 0.4611 0.0720 0.631 Uiso 1 1 calc R U . . .
C23 C 0.8408(5) 0.4937(6) 0.0455(4) 0.422(15) Uani 1 1 d D . . . .
C24 C 0.7651(5) 0.3916(5) 0.1251(3) 0.323(8) Uani 1 1 d D . . . .
O1S O 0.6858(4) 0.7627(4) 0.2189(2) 0.338(5) Uani 1 1 d D U . . .
N1S N 0.6858(5) 0.7776(6) 0.2733(5) 0.451(10) Uani 1 1 d D U . . .
C1S C 0.6725(5) 0.7514(7) 0.2437(4) 0.417(9) Uani 1 1 d D U . . .
H1S H 0.6523 0.7245 0.2454 0.501 Uiso 1 1 calc R U . . .
C2S C 0.7153(8) 0.8158(6) 0.2670(6) 0.465(14) Uani 1 1 d D U . . .
H2S1 H 0.7215 0.8178 0.2435 0.698 Uiso 1 1 calc R U . . .
H2S2 H 0.6999 0.8452 0.2743 0.698 Uiso 1 1 calc R U . . .
H2S3 H 0.7455 0.8117 0.2787 0.698 Uiso 1 1 calc R U . . .
C3S C 0.6645(10) 0.7565(13) 0.3023(6) 0.71(3) Uani 1 1 d D U . . .
H3S1 H 0.6454 0.7288 0.2960 1.058 Uiso 1 1 calc R U . . .
H3S2 H 0.6897 0.7465 0.3174 1.058 Uiso 1 1 calc R U . . .
H3S3 H 0.6441 0.7801 0.3130 1.058 Uiso 1 1 calc R U . . .
O1W O 0.5912(4) 0.6174(3) 0.09796(16) 0.336(5) Uani 1 1 d . . . . .
O2W O 0.7080(3) 0.5344(4) 0.0000 0.374(9) Uani 1 2 d S T P . .
O3W O 0.9545(4) 0.5822(9) 0.0000 0.479(14) 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 O6 1.894(13) . ?
Cu1 O8 1.949(12) 3_655 ?
Cu1 O13 1.977(10) 3_655 ?
Cu1 O1 2.033(11) . ?
Cu1 O1S 2.171(7) . ?
Cu1 Cu2 2.6346(15) . ?
Cu2 O14 1.941(7) 3_655 ?
Cu2 O9 1.951(7) 3_655 ?
Cu2 O7 1.951(7) . ?
Cu2 O2 1.984(8) . ?
Cu2 O1W 2.144(5) . ?
Cu3 O11 1.921(15) . ?
Cu3 O11 1.921(15) 10 ?
Cu3 O3 1.971(12) . ?
Cu3 O3 1.971(12) 10 ?
Cu3 O3W 2.294(12) . ?
Cu3 Cu4 2.635(3) . ?
Cu4 O12 1.933(8) 10 ?
Cu4 O12 1.934(8) . ?
Cu4 O4 2.003(8) 10 ?
Cu4 O4 2.003(8) . ?
Cu4 O2W 2.128(7) . ?
O1 C7 1.245(11) . ?
O2 C7 1.282(11) . ?
O3 C8 1.256(12) . ?
O4 C8 1.270(11) . ?
O5 C5 1.388(10) . ?
C1 C2 1.3900 . ?
C1 C6 1.3900 . ?
C1 C7 1.432(12) . ?
C2 C3 1.3900 . ?
C3 C8 1.387(13) . ?
C3 C4 1.3900 . ?
C4 C5 1.3900 . ?
C5 C6 1.3900 . ?
O6 C15 1.351(11) . ?
O7 C15 1.267(11) . ?
O8 C16 1.246(11) . ?
O8 Cu1 1.949(12) 4_565 ?
O9 C16 1.254(12) . ?
O9 Cu2 1.951(7) 4_565 ?
O10 C13 1.364(9) . ?
C9 C10 1.3900 . ?
C9 C14 1.3900 . ?
C9 C15 1.455(12) . ?
C10 C11 1.3900 . ?
C11 C12 1.3900 . ?
C11 C16 1.488(11) . ?
C12 C13 1.3900 . ?
C13 C14 1.3900 . ?
O11 C23 1.263(14) . ?
O12 C23 1.335(11) . ?
O13 C24 1.308(11) . ?
O13 Cu1 1.977(10) 4_565 ?
O14 C24 1.232(11) . ?
O14 Cu2 1.941(7) 4_565 ?
O15 C21 1.397(10) . ?
C17 C18 1.3900 . ?
C17 C22 1.3900 . ?
C17 C23 1.409(14) . ?
C18 C19 1.3900 . ?
C19 C20 1.3900 . ?
C19 C24 1.414(12) . ?
C20 C21 1.3900 . ?
C21 C22 1.3900 . ?
O1S C1S 1.127(15) . ?
N1S C2S 1.382(15) . ?
N1S C3S 1.455(16) . ?
N1S C1S 1.468(15) . ?

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
O6 Cu1 O8 88.1(4) . 3_655 ?
O6 Cu1 O13 165.6(4) . 3_655 ?
O8 Cu1 O13 89.3(5) 3_655 3_655 ?
O6 Cu1 O1 90.6(5) . . ?
O8 Cu1 O1 167.6(3) 3_655 . ?
O13 Cu1 O1 88.9(5) 3_655 . ?
O6 Cu1 O1S 96.9(4) . . ?
O8 Cu1 O1S 95.8(4) 3_655 . ?
O13 Cu1 O1S 97.4(4) 3_655 . ?
O1 Cu1 O1S 96.6(4) . . ?
O6 Cu1 Cu2 83.2(2) . . ?
O8 Cu1 Cu2 83.2(2) 3_655 . ?
O13 Cu1 Cu2 82.4(3) 3_655 . ?
O1 Cu1 Cu2 84.4(2) . . ?
O1S Cu1 Cu2 179.0(3) . . ?
O14 Cu2 O9 90.5(3) 3_655 3_655 ?
O14 Cu2 O7 169.0(3) 3_655 . ?
O9 Cu2 O7 88.5(3) 3_655 . ?
O14 Cu2 O2 88.3(4) 3_655 . ?
O9 Cu2 O2 168.7(3) 3_655 . ?
O7 Cu2 O2 90.5(4) . . ?
O14 Cu2 O1W 98.6(3) 3_655 . ?
O9 Cu2 O1W 97.4(3) 3_655 . ?
O7 Cu2 O1W 92.4(3) . . ?
O2 Cu2 O1W 93.9(3) . . ?
O14 Cu2 Cu1 84.0(2) 3_655 . ?
O9 Cu2 Cu1 84.5(2) 3_655 . ?
O7 Cu2 Cu1 84.95(18) . . ?
O2 Cu2 Cu1 84.2(2) . . ?
O1W Cu2 Cu1 176.7(3) . . ?
O11 Cu3 O11 87.8(8) . 10 ?
O11 Cu3 O3 89.6(5) . . ?
O11 Cu3 O3 167.7(4) 10 . ?
O11 Cu3 O3 167.7(4) . 10 ?
O11 Cu3 O3 89.6(5) 10 10 ?
O3 Cu3 O3 90.4(8) . 10 ?
O11 Cu3 O3W 98.6(5) . . ?
O11 Cu3 O3W 98.6(5) 10 . ?
O3 Cu3 O3W 93.7(5) . . ?
O3 Cu3 O3W 93.7(5) 10 . ?
O11 Cu3 Cu4 83.5(3) . . ?
O11 Cu3 Cu4 83.5(3) 10 . ?
O3 Cu3 Cu4 84.3(3) . . ?
O3 Cu3 Cu4 84.3(3) 10 . ?
O3W Cu3 Cu4 177.2(7) . . ?
O12 Cu4 O12 89.1(5) 10 . ?
O12 Cu4 O4 90.8(4) 10 10 ?
O12 Cu4 O4 168.2(3) . 10 ?
O12 Cu4 O4 168.2(3) 10 . ?
O12 Cu4 O4 90.8(4) . . ?
O4 Cu4 O4 86.8(5) 10 . ?
O12 Cu4 O2W 95.4(3) 10 . ?
O12 Cu4 O2W 95.4(3) . . ?
O4 Cu4 O2W 96.4(3) 10 . ?
O4 Cu4 O2W 96.4(3) . . ?
O12 Cu4 Cu3 84.8(2) 10 . ?
O12 Cu4 Cu3 84.8(2) . . ?
O4 Cu4 Cu3 83.4(2) 10 . ?
O4 Cu4 Cu3 83.4(2) . . ?
O2W Cu4 Cu3 179.8(4) . . ?
C7 O1 Cu1 122.4(8) . . ?
C7 O2 Cu2 124.3(7) . . ?
C8 O3 Cu3 125.6(9) . . ?
C8 O4 Cu4 124.6(8) . . ?
C2 C1 C6 120.0 . . ?
C2 C1 C7 120.8(9) . . ?
C6 C1 C7 119.1(9) . . ?
C3 C2 C1 120.0 . . ?
C8 C3 C2 118.8(10) . . ?
C8 C3 C4 121.1(10) . . ?
C2 C3 C4 120.0 . . ?
C5 C4 C3 120.0 . . ?
O5 C5 C4 122.4(12) . . ?
O5 C5 C6 117.2(11) . . ?
C4 C5 C6 120.0 . . ?
C5 C6 C1 120.0 . . ?
O1 C7 O2 124.5(12) . . ?
O1 C7 C1 118.5(12) . . ?
O2 C7 C1 117.0(11) . . ?
O3 C8 O4 122.1(13) . . ?
O3 C8 C3 119.7(12) . . ?
O4 C8 C3 118.1(12) . . ?
C15 O6 Cu1 128.5(7) . . ?
C15 O7 Cu2 125.7(7) . . ?
C16 O8 Cu1 124.5(8) . 4_565 ?
C16 O9 Cu2 122.6(7) . 4_565 ?
C10 C9 C14 120.0 . . ?
C10 C9 C15 121.0(7) . . ?
C14 C9 C15 118.8(7) . . ?
C9 C10 C11 120.0 . . ?
C10 C11 C12 120.0 . . ?
C10 C11 C16 117.9(6) . . ?
C12 C11 C16 121.6(6) . . ?
C13 C12 C11 120.0 . . ?
O10 C13 C12 116.7(8) . . ?
O10 C13 C14 123.1(8) . . ?
C12 C13 C14 120.0 . . ?
C13 C14 C9 120.0 . . ?
O7 C15 O6 117.6(11) . . ?
O7 C15 C9 119.8(10) . . ?
O6 C15 C9 122.5(11) . . ?
O8 C16 O9 125.0(11) . . ?
O8 C16 C11 117.2(11) . . ?
O9 C16 C11 117.8(10) . . ?
C23 O11 Cu3 128.0(9) . . ?
C23 O12 Cu4 124.1(8) . . ?
C24 O13 Cu1 126.8(8) . 4_565 ?
C24 O14 Cu2 128.7(7) . 4_565 ?
C18 C17 C22 120.0 . . ?
C18 C17 C23 123.7(7) . . ?
C22 C17 C23 116.0(7) . . ?
C19 C18 C17 120.0 . . ?
C18 C19 C20 120.0 . . ?
C18 C19 C24 115.3(6) . . ?
C20 C19 C24 123.9(6) . . ?
C19 C20 C21 120.0 . . ?
C22 C21 C20 120.0 . . ?
C22 C21 O15 118.0(11) . . ?
C20 C21 O15 121.0(10) . . ?
C21 C22 C17 120.0 . . ?
O11 C23 O12 119.0(13) . . ?
O11 C23 C17 126.4(11) . . ?
O12 C23 C17 114.5(12) . . ?
O14 C24 O13 117.8(12) . . ?
O14 C24 C19 125.5(10) . . ?
O13 C24 C19 116.6(11) . . ?
C1S O1S Cu1 111.0(14) . . ?
C2S N1S C3S 135.8(19) . . ?
C2S N1S C1S 112.7(16) . . ?
C3S N1S C1S 111.5(17) . . ?
O1S C1S N1S 121(2) . . ?

_refine_diff_density_max         0.407
_refine_diff_density_min         -0.377
_refine_diff_density_rms         0.046




