# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2014

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#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
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#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
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data_complex1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C60 H42 Cu6 O18'
_chemical_formula_weight         1432.24

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.0572(17)
_cell_length_b                   11.7719(11)
_cell_length_c                   12.2096(17)
_cell_angle_alpha                69.518(11)
_cell_angle_beta                 67.483(14)
_cell_angle_gamma                65.832(12)
_cell_volume                     1303.8(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       Plate
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.824
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             720
_exptl_absorpt_coefficient_mu    2.484
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.6365
_exptl_absorpt_correction_T_max  0.7070
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17176
_diffrn_reflns_av_R_equivalents  0.0761
_diffrn_reflns_av_sigmaI/netI    0.0746
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.36
_diffrn_reflns_theta_max         26.00
_reflns_number_total             5124
_reflns_number_gt                3451
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'SMART (Bruker,2000)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker,2000)'
_computing_structure_solution    'SIR-92 (Altomare et al. 1994)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Mercury 1.4.1'
_computing_publication_material  'PLATON (Spek, 2003)'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0682P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    noref
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5124
_refine_ls_number_parameters     379
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0855
_refine_ls_R_factor_gt           0.0534
_refine_ls_wR_factor_ref         0.1616
_refine_ls_wR_factor_gt          0.1296
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.054
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.8660(5) 1.0352(4) 0.2458(5) 0.0377(12) Uani 1 1 d . . .
C2 C 0.7440(5) 1.1025(4) 0.3331(4) 0.0333(11) Uani 1 1 d . . .
C3 C 0.7564(5) 1.1725(4) 0.3966(5) 0.0417(12) Uani 1 1 d . . .
H3 H 0.8430 1.1767 0.3843 0.050 Uiso 1 1 calc R . .
C4 C 0.6455(5) 1.2349(5) 0.4762(5) 0.0401(12) Uani 1 1 d . . .
H4 H 0.6561 1.2836 0.5156 0.048 Uiso 1 1 calc R . .
C5 C 0.6143(5) 1.0978(4) 0.3529(5) 0.0383(12) Uani 1 1 d . . .
H5 H 0.6035 1.0524 0.3103 0.046 Uiso 1 1 calc R . .
C6 C 0.4999(5) 1.1596(4) 0.4351(5) 0.0381(11) Uani 1 1 d . . .
H6 H 0.4130 1.1561 0.4473 0.046 Uiso 1 1 calc R . .
C7 C 0.5165(5) 1.2263(4) 0.4989(4) 0.0345(11) Uani 1 1 d . . .
C8 C 0.2743(5) 1.2911(5) 0.6059(5) 0.0487(14) Uani 1 1 d . . .
H8A H 0.2153 1.3240 0.6779 0.058 Uiso 1 1 calc R . .
H8B H 0.2721 1.2054 0.6208 0.058 Uiso 1 1 calc R . .
C9 C 0.2190(5) 1.3750(5) 0.4987(5) 0.0399(12) Uani 1 1 d . . .
C10 C 0.2535(5) 1.4866(5) 0.4334(5) 0.0405(12) Uani 1 1 d . . .
H10 H 0.3060 1.5115 0.4591 0.049 Uiso 1 1 calc R . .
C11 C 0.1379(5) 1.3427(4) 0.4604(5) 0.0387(12) Uani 1 1 d . . .
H11 H 0.1122 1.2699 0.5046 0.046 Uiso 1 1 calc R . .
C12 C 0.0940(5) 1.4149(4) 0.3588(5) 0.0406(12) Uani 1 1 d . . .
C13 C 0.2100(5) 1.5601(4) 0.3310(5) 0.0396(12) Uani 1 1 d . . .
C14 C 0.1300(5) 1.5245(5) 0.2948(5) 0.0410(12) Uani 1 1 d . . .
H14 H 0.0998 1.5748 0.2264 0.049 Uiso 1 1 calc R . .
C15 C 0.0150(5) 1.3724(5) 0.3122(5) 0.0483(14) Uani 1 1 d . . .
H15A H -0.0817 1.3963 0.3581 0.058 Uiso 1 1 calc R . .
H15B H 0.0215 1.4158 0.2274 0.058 Uiso 1 1 calc R . .
C16 C 0.1997(5) 1.1868(5) 0.2559(5) 0.0396(12) Uani 1 1 d . . .
C17 C 0.2785(5) 1.2572(5) 0.1592(5) 0.0408(12) Uani 1 1 d . . .
H17 H 0.2404 1.3452 0.1338 0.049 Uiso 1 1 calc R . .
C18 C 0.2568(5) 1.0538(4) 0.2884(5) 0.0421(12) Uani 1 1 d . . .
H18 H 0.2042 1.0057 0.3504 0.051 Uiso 1 1 calc R . .
C19 C 0.4121(5) 1.1962(4) 0.1020(5) 0.0387(12) Uani 1 1 d . . .
H19 H 0.4641 1.2445 0.0395 0.046 Uiso 1 1 calc R . .
C20 C 0.3898(5) 0.9941(5) 0.2294(5) 0.0406(12) Uani 1 1 d . . .
H20 H 0.4270 0.9056 0.2518 0.049 Uiso 1 1 calc R . .
C21 C 0.4718(5) 1.0658(4) 0.1340(4) 0.0311(10) Uani 1 1 d . . .
C22 C 0.6150(5) 1.0020(4) 0.0689(4) 0.0348(11) Uani 1 1 d . . .
C23 C 0.2574(5) 1.6758(5) 0.2541(5) 0.0424(13) Uani 1 1 d . . .
H23A H 0.2616 1.6879 0.1701 0.051 Uiso 1 1 calc R . .
H23B H 0.1895 1.7514 0.2820 0.051 Uiso 1 1 calc R . .
C24 C 0.5045(5) 1.5783(4) 0.2036(4) 0.0329(11) Uani 1 1 d . . .
C25 C 0.6294(5) 1.5866(4) 0.1930(5) 0.0370(11) Uani 1 1 d . . .
H25 H 0.6304 1.6493 0.2220 0.044 Uiso 1 1 calc R . .
C26 C 0.5042(5) 1.4859(5) 0.1574(5) 0.0426(13) Uani 1 1 d . . .
H26 H 0.4211 1.4800 0.1617 0.051 Uiso 1 1 calc R . .
C27 C 0.7519(5) 1.5048(4) 0.1407(4) 0.0346(11) Uani 1 1 d . . .
H27 H 0.8351 1.5113 0.1354 0.042 Uiso 1 1 calc R . .
C28 C 0.6275(5) 1.4030(4) 0.1052(5) 0.0379(12) Uani 1 1 d . . .
H28 H 0.6270 1.3402 0.0760 0.045 Uiso 1 1 calc R . .
C29 C 0.7515(5) 1.4122(4) 0.0957(4) 0.0331(11) Uani 1 1 d . . .
C30 C 0.8845(5) 1.3230(4) 0.0368(5) 0.0404(12) Uani 1 1 d . . .
O1 O 0.9821(4) 1.0438(3) 0.2304(3) 0.0461(9) Uani 1 1 d . . .
O2 O 0.8471(4) 0.9700(3) 0.1946(3) 0.0476(9) Uani 1 1 d . . .
O3 O 0.6819(4) 1.0717(3) -0.0142(3) 0.0453(9) Uani 1 1 d . . .
O4 O 0.6606(3) 0.8803(3) 0.1009(3) 0.0449(9) Uani 1 1 d . . .
O5 O 0.9963(4) 1.3329(3) 0.0295(4) 0.0519(10) Uani 1 1 d . . .
O6 O 0.8746(4) 1.2407(3) -0.0016(3) 0.0466(9) Uani 1 1 d . . .
O7 O 0.4128(3) 1.2856(3) 0.5858(3) 0.0424(9) Uani 1 1 d . . .
O8 O 0.0681(3) 1.2359(3) 0.3231(3) 0.0459(9) Uani 1 1 d . . .
O9 O 0.3902(3) 1.6636(3) 0.2591(3) 0.0413(9) Uani 1 1 d . . .
Cu1 Cu 1.14320(6) 0.99099(6) 0.11333(6) 0.0422(2) Uani 1 1 d . . .
Cu2 Cu 0.98259(6) 0.87666(5) 0.08480(6) 0.0418(2) Uani 1 1 d . . .
Cu3 Cu 0.83336(7) 0.78073(6) 0.02901(7) 0.0466(2) Uani 1 1 d . . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
C1 O2 1.262(6) . ?
C1 O1 1.265(6) . ?
C1 C2 1.482(6) . ?
C2 C5 1.381(7) . ?
C2 C3 1.385(6) . ?
C3 C4 1.355(6) . ?
C3 H3 0.9300 . ?
C4 C7 1.384(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.386(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.383(7) . ?
C6 H6 0.9300 . ?
C7 O7 1.363(5) . ?
C8 O7 1.432(6) . ?
C8 C9 1.509(7) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C11 1.376(7) . ?
C9 C10 1.396(7) . ?
C10 C13 1.381(7) . ?
C10 H10 0.9300 . ?
C11 C12 1.372(7) . ?
C11 H11 0.9300 . ?
C12 C14 1.383(7) . ?
C12 C15 1.507(7) . ?
C13 C14 1.372(7) . ?
C13 C23 1.525(7) . ?
C14 H14 0.9300 . ?
C15 O8 1.443(6) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 O8 1.361(6) . ?
C16 C18 1.398(6) . ?
C16 C17 1.400(7) . ?
C17 C19 1.370(6) . ?
C17 H17 0.9300 . ?
C18 C20 1.368(6) . ?
C18 H18 0.9300 . ?
C19 C21 1.375(6) . ?
C19 H19 0.9300 . ?
C20 C21 1.421(7) . ?
C20 H20 0.9300 . ?
C21 C22 1.478(6) . ?
C22 O3 1.260(6) . ?
C22 O4 1.276(5) . ?
C23 O9 1.439(6) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 O9 1.359(5) . ?
C24 C25 1.378(7) . ?
C24 C26 1.391(6) . ?
C25 C27 1.368(6) . ?
C25 H25 0.9300 . ?
C26 C28 1.377(6) . ?
C26 H26 0.9300 . ?
C27 C29 1.383(6) . ?
C27 H27 0.9300 . ?
C28 C29 1.377(7) . ?
C28 H28 0.9300 . ?
C29 C30 1.496(6) . ?
C30 O5 1.256(6) . ?
C30 O6 1.270(6) . ?
O1 Cu1 1.835(3) . ?
O2 Cu2 1.842(3) . ?
O3 Cu1 1.848(3) 2_775 ?
O4 Cu3 1.843(3) . ?
O5 Cu3 1.850(3) 2_775 ?
O6 Cu2 1.844(3) 2_775 ?
Cu1 O3 1.848(3) 2_775 ?
Cu1 Cu3 2.6955(10) 2_775 ?
Cu1 Cu2 2.8010(9) . ?
Cu1 Cu2 2.8947(11) 2_775 ?
Cu2 O6 1.844(3) 2_775 ?
Cu2 Cu3 2.7180(9) . ?
Cu2 Cu1 2.8947(11) 2_775 ?
Cu2 Cu2 2.9942(13) 2_775 ?
Cu3 O5 1.850(3) 2_775 ?
Cu3 Cu1 2.6955(10) 2_775 ?

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
O2 C1 O1 124.5(5) . . ?
O2 C1 C2 117.3(5) . . ?
O1 C1 C2 118.2(4) . . ?
C5 C2 C3 118.0(4) . . ?
C5 C2 C1 120.9(4) . . ?
C3 C2 C1 121.1(4) . . ?
C4 C3 C2 121.6(5) . . ?
C4 C3 H3 119.2 . . ?
C2 C3 H3 119.2 . . ?
C3 C4 C7 120.1(4) . . ?
C3 C4 H4 119.9 . . ?
C7 C4 H4 119.9 . . ?
C2 C5 C6 121.3(4) . . ?
C2 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C7 C6 C5 119.2(5) . . ?
C7 C6 H6 120.4 . . ?
C5 C6 H6 120.4 . . ?
O7 C7 C6 124.3(4) . . ?
O7 C7 C4 116.0(4) . . ?
C6 C7 C4 119.7(4) . . ?
O7 C8 C9 112.0(4) . . ?
O7 C8 H8A 109.2 . . ?
C9 C8 H8A 109.2 . . ?
O7 C8 H8B 109.2 . . ?
C9 C8 H8B 109.2 . . ?
H8A C8 H8B 107.9 . . ?
C11 C9 C10 118.4(5) . . ?
C11 C9 C8 121.7(5) . . ?
C10 C9 C8 119.9(5) . . ?
C13 C10 C9 120.4(5) . . ?
C13 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C12 C11 C9 121.8(5) . . ?
C12 C11 H11 119.1 . . ?
C9 C11 H11 119.1 . . ?
C11 C12 C14 118.9(5) . . ?
C11 C12 C15 121.1(5) . . ?
C14 C12 C15 119.9(5) . . ?
C14 C13 C10 119.7(5) . . ?
C14 C13 C23 120.0(5) . . ?
C10 C13 C23 120.2(5) . . ?
C13 C14 C12 120.8(5) . . ?
C13 C14 H14 119.6 . . ?
C12 C14 H14 119.6 . . ?
O8 C15 C12 111.4(4) . . ?
O8 C15 H15A 109.4 . . ?
C12 C15 H15A 109.4 . . ?
O8 C15 H15B 109.4 . . ?
C12 C15 H15B 109.4 . . ?
H15A C15 H15B 108.0 . . ?
O8 C16 C18 115.1(5) . . ?
O8 C16 C17 125.8(4) . . ?
C18 C16 C17 119.0(5) . . ?
C19 C17 C16 119.8(5) . . ?
C19 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C20 C18 C16 120.3(5) . . ?
C20 C18 H18 119.8 . . ?
C16 C18 H18 119.8 . . ?
C17 C19 C21 122.2(5) . . ?
C17 C19 H19 118.9 . . ?
C21 C19 H19 118.9 . . ?
C18 C20 C21 120.7(4) . . ?
C18 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C19 C21 C20 117.8(4) . . ?
C19 C21 C22 121.1(4) . . ?
C20 C21 C22 121.1(4) . . ?
O3 C22 O4 125.3(5) . . ?
O3 C22 C21 117.6(4) . . ?
O4 C22 C21 117.1(4) . . ?
O9 C23 C13 113.2(4) . . ?
O9 C23 H23A 108.9 . . ?
C13 C23 H23A 108.9 . . ?
O9 C23 H23B 108.9 . . ?
C13 C23 H23B 108.9 . . ?
H23A C23 H23B 107.7 . . ?
O9 C24 C25 115.9(4) . . ?
O9 C24 C26 125.4(4) . . ?
C25 C24 C26 118.7(4) . . ?
C27 C25 C24 121.6(4) . . ?
C27 C25 H25 119.2 . . ?
C24 C25 H25 119.2 . . ?
C28 C26 C24 119.8(5) . . ?
C28 C26 H26 120.1 . . ?
C24 C26 H26 120.1 . . ?
C25 C27 C29 119.7(5) . . ?
C25 C27 H27 120.2 . . ?
C29 C27 H27 120.2 . . ?
C29 C28 C26 120.8(4) . . ?
C29 C28 H28 119.6 . . ?
C26 C28 H28 119.6 . . ?
C28 C29 C27 119.5(4) . . ?
C28 C29 C30 120.1(4) . . ?
C27 C29 C30 120.4(5) . . ?
O5 C30 O6 124.7(5) . . ?
O5 C30 C29 119.0(4) . . ?
O6 C30 C29 116.3(5) . . ?
C1 O1 Cu1 127.0(3) . . ?
C1 O2 Cu2 125.2(4) . . ?
C22 O3 Cu1 123.9(3) . 2_775 ?
C22 O4 Cu3 124.6(3) . . ?
C30 O5 Cu3 122.8(3) . 2_775 ?
C30 O6 Cu2 126.9(4) . 2_775 ?
C7 O7 C8 119.0(4) . . ?
C16 O8 C15 117.3(4) . . ?
C24 O9 C23 118.8(4) . . ?
O1 Cu1 O3 171.31(17) . 2_775 ?
O1 Cu1 Cu3 100.20(12) . 2_775 ?
O3 Cu1 Cu3 83.38(11) 2_775 2_775 ?
O1 Cu1 Cu2 80.20(12) . . ?
O3 Cu1 Cu2 104.81(12) 2_775 . ?
Cu3 Cu1 Cu2 121.37(3) 2_775 . ?
O1 Cu1 Cu2 93.90(12) . 2_775 ?
O3 Cu1 Cu2 94.71(12) 2_775 2_775 ?
Cu3 Cu1 Cu2 58.05(3) 2_775 2_775 ?
Cu2 Cu1 Cu2 63.40(3) . 2_775 ?
O2 Cu2 O6 168.82(16) . 2_775 ?
O2 Cu2 Cu3 101.28(12) . . ?
O6 Cu2 Cu3 80.69(12) 2_775 . ?
O2 Cu2 Cu1 81.81(12) . . ?
O6 Cu2 Cu1 97.46(12) 2_775 . ?
Cu3 Cu2 Cu1 173.22(3) . . ?
O2 Cu2 Cu1 95.95(12) . 2_775 ?
O6 Cu2 Cu1 94.34(12) 2_775 2_775 ?
Cu3 Cu2 Cu1 57.30(2) . 2_775 ?
Cu1 Cu2 Cu1 116.60(3) . 2_775 ?
O2 Cu2 Cu2 88.10(12) . 2_775 ?
O6 Cu2 Cu2 101.22(12) 2_775 2_775 ?
Cu3 Cu2 Cu2 114.00(4) . 2_775 ?
Cu1 Cu2 Cu2 59.82(3) . 2_775 ?
Cu1 Cu2 Cu2 56.77(3) 2_775 2_775 ?
O4 Cu3 O5 174.12(17) . 2_775 ?
O4 Cu3 Cu1 82.78(11) . 2_775 ?
O5 Cu3 Cu1 102.94(12) 2_775 2_775 ?
O4 Cu3 Cu2 97.33(11) . . ?
O5 Cu3 Cu2 84.11(12) 2_775 . ?
Cu1 Cu3 Cu2 64.65(3) 2_775 . ?

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
O2 C1 C2 C5 -2.7(7) . . . . ?
O1 C1 C2 C5 179.3(5) . . . . ?
O2 C1 C2 C3 177.7(5) . . . . ?
O1 C1 C2 C3 -0.2(7) . . . . ?
C5 C2 C3 C4 0.1(8) . . . . ?
C1 C2 C3 C4 179.7(5) . . . . ?
C2 C3 C4 C7 2.2(8) . . . . ?
C3 C2 C5 C6 -1.0(8) . . . . ?
C1 C2 C5 C6 179.5(4) . . . . ?
C2 C5 C6 C7 -0.4(7) . . . . ?
C5 C6 C7 O7 -176.9(4) . . . . ?
C5 C6 C7 C4 2.6(7) . . . . ?
C3 C4 C7 O7 176.0(4) . . . . ?
C3 C4 C7 C6 -3.5(8) . . . . ?
O7 C8 C9 C11 140.9(5) . . . . ?
O7 C8 C9 C10 -37.1(6) . . . . ?
C11 C9 C10 C13 -1.8(7) . . . . ?
C8 C9 C10 C13 176.3(4) . . . . ?
C10 C9 C11 C12 1.8(7) . . . . ?
C8 C9 C11 C12 -176.2(4) . . . . ?
C9 C11 C12 C14 -1.4(7) . . . . ?
C9 C11 C12 C15 175.0(4) . . . . ?
C9 C10 C13 C14 1.4(7) . . . . ?
C9 C10 C13 C23 -175.0(4) . . . . ?
C10 C13 C14 C12 -0.9(7) . . . . ?
C23 C13 C14 C12 175.5(4) . . . . ?
C11 C12 C14 C13 0.9(7) . . . . ?
C15 C12 C14 C13 -175.5(4) . . . . ?
C11 C12 C15 O8 -38.7(7) . . . . ?
C14 C12 C15 O8 137.6(5) . . . . ?
O8 C16 C17 C19 177.5(5) . . . . ?
C18 C16 C17 C19 -3.3(8) . . . . ?
O8 C16 C18 C20 -178.2(4) . . . . ?
C17 C16 C18 C20 2.5(8) . . . . ?
C16 C17 C19 C21 1.9(8) . . . . ?
C16 C18 C20 C21 -0.2(8) . . . . ?
C17 C19 C21 C20 0.4(7) . . . . ?
C17 C19 C21 C22 178.6(4) . . . . ?
C18 C20 C21 C19 -1.2(7) . . . . ?
C18 C20 C21 C22 -179.4(4) . . . . ?
C19 C21 C22 O3 2.3(7) . . . . ?
C20 C21 C22 O3 -179.6(4) . . . . ?
C19 C21 C22 O4 -177.1(4) . . . . ?
C20 C21 C22 O4 1.0(7) . . . . ?
C14 C13 C23 O9 -147.9(4) . . . . ?
C10 C13 C23 O9 28.5(6) . . . . ?
O9 C24 C25 C27 178.9(4) . . . . ?
C26 C24 C25 C27 -1.4(8) . . . . ?
O9 C24 C26 C28 -178.7(4) . . . . ?
C25 C24 C26 C28 1.7(8) . . . . ?
C24 C25 C27 C29 0.9(7) . . . . ?
C24 C26 C28 C29 -1.4(8) . . . . ?
C26 C28 C29 C27 0.8(8) . . . . ?
C26 C28 C29 C30 -178.9(5) . . . . ?
C25 C27 C29 C28 -0.6(7) . . . . ?
C25 C27 C29 C30 179.2(4) . . . . ?
C28 C29 C30 O5 -179.8(5) . . . . ?
C27 C29 C30 O5 0.5(7) . . . . ?
C28 C29 C30 O6 -0.4(7) . . . . ?
C27 C29 C30 O6 179.8(4) . . . . ?
O2 C1 O1 Cu1 11.9(8) . . . . ?
C2 C1 O1 Cu1 -170.3(3) . . . . ?
O1 C1 O2 Cu2 -1.3(7) . . . . ?
C2 C1 O2 Cu2 -179.1(3) . . . . ?
O4 C22 O3 Cu1 4.2(7) . . . 2_775 ?
C21 C22 O3 Cu1 -175.1(3) . . . 2_775 ?
O3 C22 O4 Cu3 -1.5(7) . . . . ?
C21 C22 O4 Cu3 177.8(3) . . . . ?
O6 C30 O5 Cu3 -4.8(8) . . . 2_775 ?
C29 C30 O5 Cu3 174.5(3) . . . 2_775 ?
O5 C30 O6 Cu2 -4.1(8) . . . 2_775 ?
C29 C30 O6 Cu2 176.7(3) . . . 2_775 ?
C6 C7 O7 C8 -6.4(7) . . . . ?
C4 C7 O7 C8 174.1(4) . . . . ?
C9 C8 O7 C7 -67.5(5) . . . . ?
C18 C16 O8 C15 166.8(4) . . . . ?
C17 C16 O8 C15 -14.0(7) . . . . ?
C12 C15 O8 C16 -64.4(6) . . . . ?
C25 C24 O9 C23 169.0(4) . . . . ?
C26 C24 O9 C23 -10.6(7) . . . . ?
C13 C23 O9 C24 70.5(6) . . . . ?
C1 O1 Cu1 O3 -137.2(9) . . . 2_775 ?
C1 O1 Cu1 Cu3 109.1(4) . . . 2_775 ?
C1 O1 Cu1 Cu2 -11.2(4) . . . . ?
C1 O1 Cu1 Cu2 50.9(4) . . . 2_775 ?
C1 O2 Cu2 O6 82.1(9) . . . 2_775 ?
C1 O2 Cu2 Cu3 -178.8(4) . . . . ?
C1 O2 Cu2 Cu1 -5.0(4) . . . . ?
C1 O2 Cu2 Cu1 -121.0(4) . . . 2_775 ?
C1 O2 Cu2 Cu2 -64.7(4) . . . 2_775 ?
O1 Cu1 Cu2 O2 6.84(16) . . . . ?
O3 Cu1 Cu2 O2 179.57(16) 2_775 . . . ?
Cu3 Cu1 Cu2 O2 -89.20(12) 2_775 . . . ?
Cu2 Cu1 Cu2 O2 -92.58(12) 2_775 . . . ?
O1 Cu1 Cu2 O6 -161.90(17) . . . 2_775 ?
O3 Cu1 Cu2 O6 10.83(16) 2_775 . . 2_775 ?
Cu3 Cu1 Cu2 O6 102.06(12) 2_775 . . 2_775 ?
Cu2 Cu1 Cu2 O6 98.68(12) 2_775 . . 2_775 ?
O1 Cu1 Cu2 Cu3 124.4(3) . . . . ?
O3 Cu1 Cu2 Cu3 -62.9(3) 2_775 . . . ?
Cu3 Cu1 Cu2 Cu3 28.4(2) 2_775 . . . ?
Cu2 Cu1 Cu2 Cu3 25.0(2) 2_775 . . . ?
O1 Cu1 Cu2 Cu1 99.42(12) . . . 2_775 ?
O3 Cu1 Cu2 Cu1 -87.85(12) 2_775 . . 2_775 ?
Cu3 Cu1 Cu2 Cu1 3.37(3) 2_775 . . 2_775 ?
Cu2 Cu1 Cu2 Cu1 0.0 2_775 . . 2_775 ?
O1 Cu1 Cu2 Cu2 99.42(12) . . . 2_775 ?
O3 Cu1 Cu2 Cu2 -87.85(12) 2_775 . . 2_775 ?
Cu3 Cu1 Cu2 Cu2 3.37(3) 2_775 . . 2_775 ?
C22 O4 Cu3 O5 166.1(15) . . . 2_775 ?
C22 O4 Cu3 Cu1 -0.9(4) . . . 2_775 ?
C22 O4 Cu3 Cu2 62.3(4) . . . . ?
O2 Cu2 Cu3 O4 11.46(17) . . . . ?
O6 Cu2 Cu3 O4 -179.73(16) 2_775 . . . ?
Cu1 Cu2 Cu3 O4 -105.1(3) . . . . ?
Cu1 Cu2 Cu3 O4 -78.40(12) 2_775 . . . ?
Cu2 Cu2 Cu3 O4 -81.51(12) 2_775 . . . ?
O2 Cu2 Cu3 O5 -162.80(18) . . . 2_775 ?
O6 Cu2 Cu3 O5 6.01(17) 2_775 . . 2_775 ?
Cu1 Cu2 Cu3 O5 80.7(3) . . . 2_775 ?
Cu1 Cu2 Cu3 O5 107.34(13) 2_775 . . 2_775 ?
Cu2 Cu2 Cu3 O5 104.23(13) 2_775 . . 2_775 ?
O2 Cu2 Cu3 Cu1 89.86(12) . . . 2_775 ?
O6 Cu2 Cu3 Cu1 -101.33(12) 2_775 . . 2_775 ?
Cu1 Cu2 Cu3 Cu1 -26.7(2) . . . 2_775 ?
Cu2 Cu2 Cu3 Cu1 -3.11(3) 2_775 . . 2_775 ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.612
_refine_diff_density_min         -0.798
_refine_diff_density_rms         0.112
_database_code_depnum_ccdc_archive 'CCDC 983334'
