#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/63/4506311.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_4506311
loop_
_publ_author_name
'Xu, Guohai'
'He, Xiyun'
'Lv, Jianyi'
'Zhou, Zhonggao'
'Du, Ziyi'
'Xie, Yongrong'
_publ_section_title
;
 Solvent-Dependent Assemblies of Trinuclear Copper Cluster into Variable
 Frameworks Based on Mixed Ligands of Polyalcohol Amines and Organic
 Carboxylates
;
_journal_issue                   7
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3619
_journal_paper_doi               10.1021/cg300434k
_journal_volume                  12
_journal_year                    2012
_chemical_formula_moiety         'C21 H26 Cu1.50 N O9'
_chemical_formula_sum            'C21 H26 Cu1.5 N O9'
_chemical_formula_weight         531.74
_chemical_melting_point          ?
_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                70.07
_cell_angle_beta                 78.65
_cell_angle_gamma                71.63
_cell_formula_units_Z            2
_cell_length_a                   7.914
_cell_length_b                   10.467
_cell_length_c                   14.904
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      2.2
_cell_volume                     1095.960
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97(Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.951
_diffrn_measured_fraction_theta_max 0.938
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'ω scan'
_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  0.0111
_diffrn_reflns_av_sigmaI/netI    0.0230
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            5371
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.04
_diffrn_reflns_theta_min         2.15
_exptl_absorpt_coefficient_mu    1.522
_exptl_absorpt_correction_T_max  0.528
_exptl_absorpt_correction_T_min  0.372
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             549
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.428
_refine_diff_density_min         -0.352
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         4073
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0298
_refine_ls_R_factor_gt           0.0264
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0415P)²+0.5943P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0719
_refine_ls_wR_factor_ref         0.0738
_reflns_number_gt                3671
_reflns_number_total             4073
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg300434k_si_002.cif
_cod_data_source_block           compound1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_symmetry_cell_setting' value
'Triclinic' changed to 'triclinic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1095.9
_cod_original_sg_symbol_H-M      p-1
_cod_original_formula_sum        'C21 H26 Cu1.50 N O9'
_cod_database_code               4506311
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
C1 C -0.1392(3) 0.0828(2) 0.30967(14) 0.0177(4) Uani 1 1 d .
C2 C -0.2826(3) 0.1733(2) 0.24475(14) 0.0157(4) Uani 1 1 d .
C3 C -0.4224(3) 0.2774(2) 0.27125(14) 0.0190(4) Uani 1 1 d .
H3 H -0.4282 0.2908 0.3305 0.023 Uiso 1 1 calc R
C4 C -0.5537(3) 0.3617(2) 0.21020(14) 0.0192(4) Uani 1 1 d .
H4 H -0.6479 0.4308 0.2282 0.023 Uiso 1 1 calc R
C5 C -0.5415(3) 0.3407(2) 0.12166(14) 0.0173(4) Uani 1 1 d .
C6 C -0.4033(3) 0.2388(2) 0.09384(14) 0.0191(4) Uani 1 1 d .
H6 H -0.3971 0.2264 0.0343 0.023 Uiso 1 1 calc R
C7 C -0.2733(3) 0.1547(2) 0.15534(14) 0.0171(4) Uani 1 1 d .
H7 H -0.1796 0.0857 0.1369 0.021 Uiso 1 1 calc R
C8 C -0.7494(3) 0.3847(2) 0.01085(14) 0.0171(4) Uani 1 1 d .
C9 C -0.8036(3) 0.4772(2) -0.07670(14) 0.0186(4) Uani 1 1 d .
H9 H -0.7743 0.5628 -0.1018 0.022 Uiso 1 1 calc R
C10 C -0.9021(3) 0.4400(2) -0.12631(14) 0.0195(4) Uani 1 1 d .
H10 H -0.9391 0.5014 -0.1851 0.023 Uiso 1 1 calc R
C11 C -0.9464(3) 0.3122(2) -0.08952(14) 0.0179(4) Uani 1 1 d .
C12 C -0.8870(3) 0.2194(2) -0.00252(14) 0.0182(4) Uani 1 1 d .
H12 H -0.9139 0.1329 0.0220 0.022 Uiso 1 1 calc R
C13 C -0.7879(3) 0.2550(2) 0.04795(14) 0.0184(4) Uani 1 1 d .
H13 H -0.7479 0.1927 0.1059 0.022 Uiso 1 1 calc R
C14 C -1.0612(3) 0.2778(2) -0.14217(15) 0.0200(4) Uani 1 1 d .
C15 C 0.0534(5) 0.3238(3) 0.4060(2) 0.0479(7) Uani 1 1 d .
C16 C -0.3881(3) 0.0565(2) 0.57012(16) 0.0246(5) Uani 1 1 d .
H16A H -0.4261 -0.0228 0.6164 0.030 Uiso 1 1 calc R
H16B H -0.3923 0.0536 0.5062 0.030 Uiso 1 1 calc R
C17 C -0.5114(3) 0.1939(3) 0.58415(16) 0.0283(5) Uani 1 1 d .
H17A H -0.4943 0.2721 0.5284 0.034 Uiso 1 1 calc R
H17B H -0.6350 0.1917 0.5913 0.034 Uiso 1 1 calc R
C18 C -0.3368(3) 0.4146(2) 0.59818(17) 0.0294(5) Uani 1 1 d .
H18A H -0.3412 0.4197 0.5324 0.035 Uiso 1 1 calc R
H18B H -0.3467 0.5087 0.5996 0.035 Uiso 1 1 calc R
C19 C -0.4920(3) 0.3643(2) 0.66023(17) 0.0293(5) Uani 1 1 d .
H19A H -0.5007 0.3760 0.7230 0.035 Uiso 1 1 calc R
H19B H -0.6020 0.4218 0.6318 0.035 Uiso 1 1 calc R
C20 C -0.5732(3) 0.1477(3) 0.76063(16) 0.0280(5) Uani 1 1 d .
H20A H -0.5740 0.0552 0.7608 0.034 Uiso 1 1 calc R
H20B H -0.6960 0.2050 0.7637 0.034 Uiso 1 1 calc R
C21 C -0.4865(3) 0.1338(3) 0.84762(16) 0.0269(5) Uani 1 1 d .
H21A H -0.5173 0.2245 0.8593 0.032 Uiso 1 1 calc R
H21B H -0.5288 0.0675 0.9042 0.032 Uiso 1 1 calc R
N1 N -0.4716(2) 0.21405(19) 0.67137(12) 0.0219(4) Uani 1 1 d .
O1 O -0.14457(19) 0.10727(15) 0.38706(10) 0.0210(3) Uani 1 1 d .
O2 O -0.0243(2) -0.01280(17) 0.27998(11) 0.0268(4) Uani 1 1 d .
O3 O -0.6674(2) 0.43451(15) 0.06108(11) 0.0223(3) Uani 1 1 d .
O4 O -1.0920(2) 0.35711(16) -0.22507(11) 0.0303(4) Uani 1 1 d .
O5 O -1.1186(2) 0.17008(18) -0.09852(11) 0.0284(4) Uani 1 1 d .
O6 O 0.0813(2) 0.21441(19) 0.49364(12) 0.0324(4) Uani 1 1 d .
O7 O -0.21175(19) 0.04776(17) 0.58260(10) 0.0233(3) Uani 1 1 d .
O8 O -0.1708(2) 0.32285(17) 0.63006(11) 0.0242(3) Uani 1 1 d .
O9 O -0.2974(2) 0.08482(16) 0.82788(10) 0.0201(3) Uani 1 1 d .
Cu1 Cu 0.0000 0.0000 0.5000 0.01683(10) Uani 1 2 d S
Cu2 Cu -0.21675(3) 0.10290(2) 0.691726(16) 0.01618(9) Uani 1 1 d .
H01 H -0.155(4) 0.335(3) 0.6695(19) 0.024 Uiso 1 1 d .
H03 H 0.015(3) 0.243(3) 0.5326(19) 0.024 Uiso 1 1 d .
H02 H -0.242(3) 0.114(3) 0.8502(18) 0.024 Uiso 1 1 d .
H04 H -0.077(3) 0.344(3) 0.3889(17) 0.024 Uiso 1 1 d .
H06 H 0.047(3) 0.405(3) 0.4104(17) 0.024 Uiso 1 1 d .
H05 H 0.140(3) 0.292(3) 0.3596(19) 0.024 Uiso 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
N N 0.0061 0.0033 '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
O1 C1 O2 126.41(18) . .
O1 C1 C2 118.27(19) . .
O2 C1 C2 115.31(17) . .
C3 C2 C7 119.40(18) . .
C3 C2 C1 121.10(18) . .
C7 C2 C1 119.49(19) . .
C2 C3 C4 120.70(19) . .
C2 C3 H3 119.6 . .
C4 C3 H3 119.7 . .
C5 C4 C3 118.7(2) . .
C5 C4 H4 120.6 . .
C3 C4 H4 120.6 . .
C6 C5 O3 122.23(18) . .
C6 C5 C4 121.45(18) . .
O3 C5 C4 116.14(19) . .
C5 C6 C7 119.46(19) . .
C5 C6 H6 120.3 . .
C7 C6 H6 120.3 . .
C6 C7 C2 120.3(2) . .
C6 C7 H7 119.9 . .
C2 C7 H7 119.9 . .
C9 C8 O3 115.83(18) . .
C9 C8 C13 121.21(18) . .
O3 C8 C13 122.79(17) . .
C10 C9 C8 118.92(19) . .
C10 C9 H9 120.5 . .
C8 C9 H9 120.5 . .
C9 C10 C11 120.99(19) . .
C9 C10 H10 119.5 . .
C11 C10 H10 119.5 . .
C10 C11 C12 119.11(18) . .
C10 C11 C14 119.90(18) . .
C12 C11 C14 120.97(19) . .
C13 C12 C11 120.58(19) . .
C13 C12 H12 119.7 . .
C11 C12 H12 119.7 . .
C8 C13 C12 119.14(18) . .
C8 C13 H13 120.4 . .
C12 C13 H13 120.4 . .
O4 C14 O5 125.57(19) . .
O4 C14 C11 117.61(19) . .
O5 C14 C11 116.81(18) . .
O6 C15 H04 109.5(13) . .
O6 C15 H06 113.2(17) . .
H04 C15 H06 99(2) . .
O6 C15 H05 106.2(15) . .
H04 C15 H05 111(2) . .
H06 C15 H05 117(2) . .
O7 C16 C17 108.66(18) . .
O7 C16 H16A 110.0 . .
C17 C16 H16A 110.0 . .
O7 C16 H16B 110.0 . .
C17 C16 H16B 110.0 . .
H16A C16 H16B 108.3 . .
N1 C17 C16 109.66(17) . .
N1 C17 H17A 109.7 . .
C16 C17 H17A 109.7 . .
N1 C17 H17B 109.7 . .
C16 C17 H17B 109.7 . .
H17A C17 H17B 108.2 . .
O8 C18 C19 111.35(18) . .
O8 C18 H18A 109.4 . .
C19 C18 H18A 109.4 . .
O8 C18 H18B 109.4 . .
C19 C18 H18B 109.4 . .
H18A C18 H18B 108.0 . .
N1 C19 C18 111.79(19) . .
N1 C19 H19A 109.3 . .
C18 C19 H19A 109.3 . .
N1 C19 H19B 109.3 . .
C18 C19 H19B 109.3 . .
H19A C19 H19B 107.9 . .
N1 C20 C21 109.70(17) . .
N1 C20 H20A 109.7 . .
C21 C20 H20A 109.7 . .
N1 C20 H20B 109.7 . .
C21 C20 H20B 109.7 . .
H20A C20 H20B 108.2 . .
O9 C21 C20 107.90(17) . .
O9 C21 H21A 110.1 . .
C20 C21 H21A 110.1 . .
O9 C21 H21B 110.1 . .
C20 C21 H21B 110.1 . .
H21A C21 H21B 108.4 . .
C20 N1 C19 111.61(18) . .
C20 N1 C17 113.24(17) . .
C19 N1 C17 112.44(17) . .
C20 N1 Cu2 103.10(13) . .
C19 N1 Cu2 109.47(13) . .
C17 N1 Cu2 106.36(13) . .
C1 O1 Cu1 131.17(14) . .
C1 O2 Cu2 129.52(13) . 2_556
C5 O3 C8 119.59(15) . .
C15 O6 H03 106.2(19) . .
C16 O7 Cu2 109.22(12) . .
C16 O7 Cu1 126.73(12) . .
Cu2 O7 Cu1 123.94(7) . .
C18 O8 Cu2 105.30(13) . .
C18 O8 H01 110(2) . .
Cu2 O8 H01 103(2) . .
C21 O9 Cu2 114.04(12) . .
C21 O9 H02 114.1(19) . .
Cu2 O9 H02 112.0(19) . .
O7 Cu1 O7 180.0 . 2_556
O7 Cu1 O1 91.42(6) . 2_556
O7 Cu1 O1 88.58(6) 2_556 2_556
O7 Cu1 O1 88.58(6) . .
O7 Cu1 O1 91.42(6) 2_556 .
O1 Cu1 O1 180.0 2_556 .
O7 Cu2 O2 99.48(6) . 2_556
O7 Cu2 O9 148.64(7) . .
O2 Cu2 O9 91.20(6) 2_556 .
O7 Cu2 N1 87.26(7) . .
O2 Cu2 N1 172.78(7) 2_556 .
O9 Cu2 N1 84.26(7) . .
O7 Cu2 O8 104.40(6) . .
O2 Cu2 O8 93.65(7) 2_556 .
O9 Cu2 O8 104.23(6) . .
N1 Cu2 O8 82.07(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.254(2) .
C1 O2 1.263(3) .
C1 C2 1.500(3) .
C2 C3 1.388(3) .
C2 C7 1.396(3) .
C3 C4 1.391(3) .
C3 H3 0.9300 .
C4 C5 1.390(3) .
C4 H4 0.9300 .
C5 C6 1.376(3) .
C5 O3 1.381(2) .
C6 C7 1.387(3) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9 1.386(3) .
C8 O3 1.387(2) .
C8 C13 1.387(3) .
C9 C10 1.386(3) .
C9 H9 0.9300 .
C10 C11 1.390(3) .
C10 H10 0.9300 .
C11 C12 1.393(3) .
C11 C14 1.500(3) .
C12 C13 1.388(3) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 O4 1.252(3) .
C14 O5 1.268(3) .
C15 O6 1.415(3) .
C15 H04 1.05(3) .
C15 H06 0.86(3) .
C15 H05 0.94(3) .
C16 O7 1.414(2) .
C16 C17 1.518(3) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 N1 1.491(3) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 O8 1.419(3) .
C18 C19 1.506(3) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 N1 1.483(3) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 N1 1.483(3) .
C20 C21 1.527(3) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 O9 1.427(3) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
N1 Cu2 2.0086(17) .
O1 Cu1 2.0156(13) .
O2 Cu2 1.9017(15) 2_556
O6 H03 0.78(3) .
O7 Cu2 1.8920(14) .
O7 Cu1 1.9113(14) .
O8 Cu2 2.2872(16) .
O8 H01 0.69(3) .
O9 Cu2 1.9661(14) .
O9 H02 0.78(3) .
Cu1 O7 1.9113(14) 2_556
Cu1 O1 2.0156(13) 2_556
Cu2 O2 1.9017(15) 2_556
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O8 H01 O4 0.69(3) 1.84(3) 2.526(2) 175(3) 1_656
O9 H02 O5 0.78(3) 1.69(3) 2.465(2) 177(3) 1_656
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_4
O1 C1 C2 C3 -2.9(3) .
O2 C1 C2 C3 176.55(19) .
O1 C1 C2 C7 175.72(18) .
O2 C1 C2 C7 -4.8(3) .
C7 C2 C3 C4 0.7(3) .
C1 C2 C3 C4 179.36(18) .
C2 C3 C4 C5 -0.6(3) .
C3 C4 C5 C6 0.1(3) .
C3 C4 C5 O3 -175.11(17) .
O3 C5 C6 C7 175.09(17) .
C4 C5 C6 C7 0.1(3) .
C5 C6 C7 C2 0.0(3) .
C3 C2 C7 C6 -0.5(3) .
C1 C2 C7 C6 -179.10(18) .
O3 C8 C9 C10 -173.64(18) .
C13 C8 C9 C10 1.7(3) .
C8 C9 C10 C11 0.0(3) .
C9 C10 C11 C12 -1.5(3) .
C9 C10 C11 C14 176.82(19) .
C10 C11 C12 C13 1.3(3) .
C14 C11 C12 C13 -176.92(18) .
C9 C8 C13 C12 -1.9(3) .
O3 C8 C13 C12 173.20(19) .
C11 C12 C13 C8 0.3(3) .
C10 C11 C14 O4 10.2(3) .
C12 C11 C14 O4 -171.53(19) .
C10 C11 C14 O5 -169.96(19) .
C12 C11 C14 O5 8.3(3) .
O7 C16 C17 N1 -45.7(2) .
O8 C18 C19 N1 -51.4(2) .
N1 C20 C21 O9 -43.3(2) .
C21 C20 N1 C19 -68.9(2) .
C21 C20 N1 C17 163.03(19) .
C21 C20 N1 Cu2 48.5(2) .
C18 C19 N1 C20 155.46(18) .
C18 C19 N1 C17 -76.0(2) .
C18 C19 N1 Cu2 42.0(2) .
C16 C17 N1 C20 -87.9(2) .
C16 C17 N1 C19 144.45(19) .
C16 C17 N1 Cu2 24.6(2) .
O2 C1 O1 Cu1 -7.6(3) .
C2 C1 O1 Cu1 171.82(13) .
O1 C1 O2 Cu2 -26.3(3) 2_556
C2 C1 O2 Cu2 154.29(14) 2_556
C6 C5 O3 C8 48.2(3) .
C4 C5 O3 C8 -136.63(19) .
C9 C8 O3 C5 -150.62(18) .
C13 C8 O3 C5 34.1(3) .
C17 C16 O7 Cu2 44.3(2) .
C17 C16 O7 Cu1 -132.09(16) .
C19 C18 O8 Cu2 32.4(2) .
C20 C21 O9 Cu2 15.6(2) .
C16 O7 Cu1 O7 -80.86(17) 2_556
Cu2 O7 Cu1 O7 103.30(15) 2_556
C16 O7 Cu1 O1 -142.99(17) 2_556
Cu2 O7 Cu1 O1 41.17(10) 2_556
C16 O7 Cu1 O1 37.01(17) .
Cu2 O7 Cu1 O1 -138.83(10) .
C1 O1 Cu1 O7 -142.40(18) .
C1 O1 Cu1 O7 37.60(18) 2_556
C1 O1 Cu1 O1 -15.64(19) 2_556
C16 O7 Cu2 O2 158.04(14) 2_556
Cu1 O7 Cu2 O2 -25.49(11) 2_556
C16 O7 Cu2 O9 49.7(2) .
Cu1 O7 Cu2 O9 -133.83(11) .
C16 O7 Cu2 N1 -24.59(14) .
Cu1 O7 Cu2 N1 151.89(11) .
C16 O7 Cu2 O8 -105.67(14) .
Cu1 O7 Cu2 O8 70.80(10) .
C21 O9 Cu2 O7 -65.95(19) .
C21 O9 Cu2 O2 -176.48(15) 2_556
C21 O9 Cu2 N1 9.15(15) .
C21 O9 Cu2 O8 89.44(15) .
C20 N1 Cu2 O7 118.36(14) .
C19 N1 Cu2 O7 -122.73(14) .
C17 N1 Cu2 O7 -1.01(14) .
C20 N1 Cu2 O2 -82.7(6) 2_556
C19 N1 Cu2 O2 36.2(6) 2_556
C17 N1 Cu2 O2 158.0(5) 2_556
C20 N1 Cu2 O9 -31.41(13) .
C19 N1 Cu2 O9 87.50(14) .
C17 N1 Cu2 O9 -150.78(14) .
C20 N1 Cu2 O8 -136.69(14) .
C19 N1 Cu2 O8 -17.78(14) .
C17 N1 Cu2 O8 103.94(14) .
C18 O8 Cu2 O7 76.84(14) .
C18 O8 Cu2 O2 177.60(13) 2_556
C18 O8 Cu2 O9 -90.24(13) .
C18 O8 Cu2 N1 -8.25(13) .
