#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:20:14 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179785 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/81/7008189.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7008189
loop_
_publ_author_name
'Clegg, Jack K.'
'Lindoy, Leonard F.'
'McMurtrie, John C.'
'Schilter, David'
_publ_section_title
;
 Dinuclear bis-beta-diketonato ligand derivatives of iron(III) and
 copper(II) and use of the latter as components for the assembly of
 extended metallo-supramolecular structures.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              857
_journal_page_last               864
_journal_paper_doi               10.1039/b418870e
_journal_year                    2005
_chemical_formula_moiety         'C48 H64 Cu2 O10'
_chemical_formula_sum            'C48 H64 Cu2 O10'
_chemical_formula_weight         928.07
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.966(2)
_cell_angle_beta                 95.216(2)
_cell_angle_gamma                104.527(2)
_cell_formula_units_Z            1
_cell_length_a                   7.0109(7)
_cell_length_b                   10.5767(11)
_cell_length_c                   16.5539(17)
_cell_measurement_reflns_used    7577
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.314
_cell_measurement_theta_min      2.219
_cell_volume                     1173.1(2)
_computing_cell_refinement       'SAINT (Bruker, 1995)'
_computing_data_collection       'SMART (Bruker, 1995)'
_computing_data_reduction        'SAINT and XPREP (Bruker, 1995)'
_computing_molecular_graphics
;ORTEPIII (Farrugia, 1997)
WINGX-32 (Farrugia, 1999)
;
_computing_publication_material  'enCIFer 1.0 (CCDC, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare, et. al. 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.921
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0166
_diffrn_reflns_av_sigmaI/netI    0.0231
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            11339
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         2.01
_diffrn_standards_decay_%        0.01
_diffrn_standards_number         165
_exptl_absorpt_coefficient_mu    0.961
_exptl_absorpt_correction_T_max  0.849
_exptl_absorpt_correction_T_min  0.724
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1999)'
_exptl_crystal_colour            'intense blue'
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             490
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.529
_refine_diff_density_min         -0.563
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         5382
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0286
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0439P)²+0.3992P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0762
_refine_ls_wR_factor_ref         0.0789
_reflns_number_gt                4840
_reflns_number_total             5382
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b418870e.txt
_cod_data_source_block           lj49sad
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7008189
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu -0.18159(3) 0.079620(16) -0.200783(10) 0.02023(7) Uani 1 1 d . . .
O1 O -0.11045(17) 0.22644(10) -0.26041(7) 0.0271(2) Uani 1 1 d . . .
O2 O -0.03451(16) 0.17823(10) -0.10090(6) 0.0242(2) Uani 1 1 d . . .
O3 O 0.22552(16) 0.07801(10) 0.14802(6) 0.0215(2) Uani 1 1 d . . .
O4 O 0.29340(17) 0.01971(10) 0.30515(6) 0.0241(2) Uani 1 1 d . . .
C1 C 0.1797(3) 0.38389(19) -0.35251(12) 0.0420(5) Uani 1 1 d . . .
H1A H 0.2013 0.4357 -0.3982 0.063 Uiso 1 1 calc R . .
H1B H 0.1232 0.2907 -0.3739 0.063 Uiso 1 1 calc R . .
H1C H 0.3065 0.3946 -0.3189 0.063 Uiso 1 1 calc R . .
C2 C 0.1206(3) 0.57766(15) -0.26626(10) 0.0295(3) Uani 1 1 d . . .
H2A H 0.1299 0.6308 -0.3115 0.044 Uiso 1 1 calc R . .
H2B H 0.2531 0.5907 -0.2367 0.044 Uiso 1 1 calc R . .
H2C H 0.0334 0.6048 -0.2288 0.044 Uiso 1 1 calc R . .
C3 C -0.1626(3) 0.41455(18) -0.35356(11) 0.0387(4) Uani 1 1 d . . .
H3A H -0.2554 0.4452 -0.3206 0.058 Uiso 1 1 calc R . .
H3B H -0.2185 0.3212 -0.3749 0.058 Uiso 1 1 calc R . .
H3C H -0.1403 0.4662 -0.3993 0.058 Uiso 1 1 calc R . .
C4 C 0.0355(2) 0.43184(14) -0.30017(9) 0.0240(3) Uani 1 1 d . . .
C5 C -0.0006(2) 0.34038(14) -0.23366(9) 0.0194(3) Uani 1 1 d . . .
C6 C 0.0885(2) 0.38041(14) -0.15305(9) 0.0214(3) Uani 1 1 d . . .
H6 H 0.1689 0.4682 -0.1392 0.026 Uiso 1 1 calc R . .
C7 C 0.0662(2) 0.29848(13) -0.09133(9) 0.0184(3) Uani 1 1 d . . .
C8 C 0.1673(2) 0.35034(13) -0.00615(9) 0.0181(3) Uani 1 1 d . . .
C9 C 0.2505(2) 0.48446(14) 0.02081(9) 0.0210(3) Uani 1 1 d . . .
H9 H 0.2433 0.5476 -0.0154 0.025 Uiso 1 1 calc R . .
C10 C 0.3433(2) 0.52561(14) 0.10008(9) 0.0233(3) Uani 1 1 d . . .
H10 H 0.3998 0.6168 0.1179 0.028 Uiso 1 1 calc R . .
C11 C 0.3540(2) 0.43442(14) 0.15351(9) 0.0213(3) Uani 1 1 d . . .
H11 H 0.4191 0.4636 0.2076 0.026 Uiso 1 1 calc R . .
C12 C 0.2696(2) 0.29956(13) 0.12849(9) 0.0182(3) Uani 1 1 d . . .
C13 C 0.1776(2) 0.25931(13) 0.04836(9) 0.0179(3) Uani 1 1 d . . .
H13 H 0.1207 0.1681 0.0305 0.021 Uiso 1 1 calc R . .
C14 C 0.2710(2) 0.19630(14) 0.18396(9) 0.0187(3) Uani 1 1 d . . .
C15 C 0.3172(2) 0.23310(14) 0.26886(9) 0.0217(3) Uani 1 1 d . . .
H15 H 0.3433 0.3237 0.2896 0.026 Uiso 1 1 calc R . .
C16 C 0.3268(2) 0.14321(14) 0.32472(9) 0.0200(3) Uani 1 1 d . . .
C17 C 0.3842(3) 0.18731(15) 0.41707(9) 0.0259(3) Uani 1 1 d . . .
C18 C 0.4149(3) 0.33431(16) 0.44235(11) 0.0399(4) Uani 1 1 d . . .
H18A H 0.4487 0.3547 0.5018 0.060 Uiso 1 1 calc R . .
H18B H 0.2926 0.3589 0.4260 0.060 Uiso 1 1 calc R . .
H18C H 0.5232 0.3839 0.4154 0.060 Uiso 1 1 calc R . .
C19 C 0.5776(3) 0.1502(2) 0.44120(11) 0.0404(4) Uani 1 1 d . . .
H19A H 0.6842 0.2012 0.4141 0.061 Uiso 1 1 calc R . .
H19B H 0.5593 0.0560 0.4243 0.061 Uiso 1 1 calc R . .
H19C H 0.6127 0.1698 0.5007 0.061 Uiso 1 1 calc R . .
C20 C 0.2180(3) 0.1102(2) 0.46099(12) 0.0420(4) Uani 1 1 d . . .
H20A H 0.2566 0.1294 0.5203 0.063 Uiso 1 1 calc R . .
H20B H 0.1955 0.0156 0.4438 0.063 Uiso 1 1 calc R . .
H20C H 0.0958 0.1362 0.4469 0.063 Uiso 1 1 calc R . .
O5 O -0.47084(17) 0.13316(11) -0.16590(7) 0.0290(2) Uani 1 1 d . . .
C21 C -0.5407(3) 0.0797(2) -0.09427(12) 0.0386(4) Uani 1 1 d . . .
H21A H -0.5909 0.1442 -0.0604 0.046 Uiso 1 1 calc R . .
H21B H -0.4318 0.0580 -0.0608 0.046 Uiso 1 1 calc R . .
C22 C -0.7066(3) -0.0440(2) -0.12430(16) 0.0528(6) Uani 1 1 d . . .
H22A H -0.8285 -0.0405 -0.0993 0.063 Uiso 1 1 calc R . .
H22B H -0.6669 -0.1235 -0.1108 0.063 Uiso 1 1 calc R . .
C23 C -0.7400(3) -0.0451(2) -0.21648(14) 0.0463(5) Uani 1 1 d . . .
H23A H -0.8833 -0.0677 -0.2365 0.056 Uiso 1 1 calc R . .
H23B H -0.6788 -0.1086 -0.2454 0.056 Uiso 1 1 calc R . .
C24 C -0.6379(3) 0.09570(19) -0.22796(12) 0.0368(4) Uani 1 1 d . . .
H24A H -0.5946 0.0996 -0.2831 0.044 Uiso 1 1 calc R . .
H24B H -0.7275 0.1538 -0.2203 0.044 Uiso 1 1 calc R . .
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Cu1 O4 85.32(5) . 2 ?
O1 Cu1 O2 92.70(5) . . ?
O4 Cu1 O2 172.03(5) 2 . ?
O1 Cu1 O3 171.87(5) . 2 ?
O4 Cu1 O3 91.78(4) 2 2 ?
O2 Cu1 O3 89.14(4) . 2 ?
O1 Cu1 O5 92.90(5) . . ?
O4 Cu1 O5 96.90(4) 2 . ?
O2 Cu1 O5 90.91(5) . . ?
O3 Cu1 O5 94.99(4) 2 . ?
C5 O1 Cu1 127.37(10) . . ?
C7 O2 Cu1 126.22(10) . . ?
C14 O3 Cu1 126.09(9) . 2 ?
C16 O4 Cu1 127.14(10) . 2 ?
C4 C1 H1A 109.5 . . ?
C4 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C4 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C4 C2 H2A 109.5 . . ?
C4 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C4 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C4 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 C1 110.33(14) . . ?
C2 C4 C3 109.13(13) . . ?
C1 C4 C3 108.99(15) . . ?
C2 C4 C5 113.77(12) . . ?
C1 C4 C5 106.17(13) . . ?
C3 C4 C5 108.32(13) . . ?
O1 C5 C6 124.71(13) . . ?
O1 C5 C4 113.32(12) . . ?
C6 C5 C4 121.91(13) . . ?
C5 C6 C7 123.76(13) . . ?
C5 C6 H6 118.1 . . ?
C7 C6 H6 118.1 . . ?
O2 C7 C6 125.22(13) . . ?
O2 C7 C8 114.75(12) . . ?
C6 C7 C8 120.02(12) . . ?
C13 C8 C9 118.93(13) . . ?
C13 C8 C7 117.83(12) . . ?
C9 C8 C7 123.24(12) . . ?
C10 C9 C8 120.30(13) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C9 C10 C11 120.33(13) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C10 C11 C12 120.60(13) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C13 C12 C11 118.52(13) . . ?
C13 C12 C14 118.25(12) . . ?
C11 C12 C14 123.23(13) . . ?
C12 C13 C8 121.32(13) . . ?
C12 C13 H13 119.3 . . ?
C8 C13 H13 119.3 . . ?
O3 C14 C15 124.99(13) . . ?
O3 C14 C12 115.07(12) . . ?
C15 C14 C12 119.94(12) . . ?
C16 C15 C14 123.52(13) . . ?
C16 C15 H15 118.2 . . ?
C14 C15 H15 118.2 . . ?
O4 C16 C15 124.49(13) . . ?
O4 C16 C17 113.31(12) . . ?
C15 C16 C17 122.19(13) . . ?
C18 C17 C19 109.13(15) . . ?
C18 C17 C20 109.20(15) . . ?
C19 C17 C20 109.63(15) . . ?
C18 C17 C16 114.13(13) . . ?
C19 C17 C16 107.14(13) . . ?
C20 C17 C16 107.53(13) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C24 O5 C21 105.95(14) . . ?
C24 O5 Cu1 116.18(10) . . ?
C21 O5 Cu1 113.57(10) . . ?
O5 C21 C22 106.73(16) . . ?
O5 C21 H21A 110.4 . . ?
C22 C21 H21A 110.4 . . ?
O5 C21 H21B 110.4 . . ?
C22 C21 H21B 110.4 . . ?
H21A C21 H21B 108.6 . . ?
C21 C22 C23 104.70(16) . . ?
C21 C22 H22A 110.8 . . ?
C23 C22 H22A 110.8 . . ?
C21 C22 H22B 110.8 . . ?
C23 C22 H22B 110.8 . . ?
H22A C22 H22B 108.9 . . ?
C22 C23 C24 103.14(16) . . ?
C22 C23 H23A 111.1 . . ?
C24 C23 H23A 111.1 . . ?
C22 C23 H23B 111.1 . . ?
C24 C23 H23B 111.1 . . ?
H23A C23 H23B 109.1 . . ?
O5 C24 C23 103.99(15) . . ?
O5 C24 H24A 111.0 . . ?
C23 C24 H24A 111.0 . . ?
O5 C24 H24B 111.0 . . ?
C23 C24 H24B 111.0 . . ?
H24A C24 H24B 109.0 . . ?
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 1.9115(11) . ?
Cu1 O4 1.9147(11) 2 ?
Cu1 O2 1.9175(10) . ?
Cu1 O3 1.9317(10) 2 ?
Cu1 O5 2.3425(12) . ?
O1 C5 1.2661(17) . ?
O2 C7 1.2761(17) . ?
O3 C14 1.2774(17) . ?
O3 Cu1 1.9317(10) 2 ?
O4 C16 1.2691(18) . ?
O4 Cu1 1.9147(11) 2 ?
C1 C4 1.534(2) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C4 1.532(2) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.536(2) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.537(2) . ?
C5 C6 1.396(2) . ?
C6 C7 1.402(2) . ?
C6 H6 0.9500 . ?
C7 C8 1.5014(19) . ?
C8 C13 1.3964(19) . ?
C8 C9 1.3992(19) . ?
C9 C10 1.385(2) . ?
C9 H9 0.9500 . ?
C10 C11 1.386(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.4019(19) . ?
C11 H11 0.9500 . ?
C12 C13 1.3950(19) . ?
C12 C14 1.4994(19) . ?
C13 H13 0.9500 . ?
C14 C15 1.404(2) . ?
C15 C16 1.403(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.537(2) . ?
C17 C18 1.523(2) . ?
C17 C19 1.533(2) . ?
C17 C20 1.534(2) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
O5 C24 1.431(2) . ?
O5 C21 1.440(2) . ?
C21 C22 1.518(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.521(3) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.521(3) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
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
O4 Cu1 O1 C5 -171.22(13) 2 . . . ?
O2 Cu1 O1 C5 1.05(13) . . . . ?
O5 Cu1 O1 C5 92.09(13) . . . . ?
O1 Cu1 O2 C7 -0.34(13) . . . . ?
O3 Cu1 O2 C7 171.73(12) 2 . . . ?
O5 Cu1 O2 C7 -93.29(12) . . . . ?
Cu1 O1 C5 C6 -0.9(2) . . . . ?
Cu1 O1 C5 C4 176.34(10) . . . . ?
C2 C4 C5 O1 164.96(14) . . . . ?
C1 C4 C5 O1 -73.50(17) . . . . ?
C3 C4 C5 O1 43.43(18) . . . . ?
C2 C4 C5 C6 -17.7(2) . . . . ?
C1 C4 C5 C6 103.83(17) . . . . ?
C3 C4 C5 C6 -139.25(15) . . . . ?
O1 C5 C6 C7 -0.2(2) . . . . ?
C4 C5 C6 C7 -177.26(13) . . . . ?
Cu1 O2 C7 C6 -0.5(2) . . . . ?
Cu1 O2 C7 C8 -179.74(9) . . . . ?
C5 C6 C7 O2 1.0(2) . . . . ?
C5 C6 C7 C8 -179.82(13) . . . . ?
O2 C7 C8 C13 13.04(19) . . . . ?
C6 C7 C8 C13 -166.22(13) . . . . ?
O2 C7 C8 C9 -166.78(13) . . . . ?
C6 C7 C8 C9 14.0(2) . . . . ?
C13 C8 C9 C10 0.7(2) . . . . ?
C7 C8 C9 C10 -179.46(13) . . . . ?
C8 C9 C10 C11 -0.2(2) . . . . ?
C9 C10 C11 C12 -0.6(2) . . . . ?
C10 C11 C12 C13 1.0(2) . . . . ?
C10 C11 C12 C14 -178.19(13) . . . . ?
C11 C12 C13 C8 -0.5(2) . . . . ?
C14 C12 C13 C8 178.74(13) . . . . ?
C9 C8 C13 C12 -0.4(2) . . . . ?
C7 C8 C13 C12 179.80(12) . . . . ?
Cu1 O3 C14 C15 6.9(2) 2 . . . ?
Cu1 O3 C14 C12 -172.09(9) 2 . . . ?
C13 C12 C14 O3 14.56(19) . . . . ?
C11 C12 C14 O3 -166.27(13) . . . . ?
C13 C12 C14 C15 -164.51(13) . . . . ?
C11 C12 C14 C15 14.7(2) . . . . ?
O3 C14 C15 C16 2.7(2) . . . . ?
C12 C14 C15 C16 -178.28(13) . . . . ?
Cu1 O4 C16 C15 -11.0(2) 2 . . . ?
Cu1 O4 C16 C17 170.19(10) 2 . . . ?
C14 C15 C16 O4 -0.7(2) . . . . ?
C14 C15 C16 C17 178.03(14) . . . . ?
O4 C16 C17 C18 -177.11(15) . . . . ?
C15 C16 C17 C18 4.0(2) . . . . ?
O4 C16 C17 C19 61.96(18) . . . . ?
C15 C16 C17 C19 -116.90(16) . . . . ?
O4 C16 C17 C20 -55.82(18) . . . . ?
C15 C16 C17 C20 125.32(16) . . . . ?
O1 Cu1 O5 C24 79.47(11) . . . . ?
O4 Cu1 O5 C24 -6.16(12) 2 . . . ?
O2 Cu1 O5 C24 172.22(11) . . . . ?
O3 Cu1 O5 C24 -98.57(11) 2 . . . ?
O1 Cu1 O5 C21 -157.26(11) . . . . ?
O4 Cu1 O5 C21 117.10(11) 2 . . . ?
O2 Cu1 O5 C21 -64.52(11) . . . . ?
O3 Cu1 O5 C21 24.70(11) 2 . . . ?
C24 O5 C21 C22 29.52(19) . . . . ?
Cu1 O5 C21 C22 -99.18(15) . . . . ?
O5 C21 C22 C23 -6.8(2) . . . . ?
C21 C22 C23 C24 -16.6(2) . . . . ?
C21 O5 C24 C23 -40.24(17) . . . . ?
Cu1 O5 C24 C23 86.91(15) . . . . ?
C22 C23 C24 O5 34.71(19) . . . . ?
