#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/63/4506316.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_4506316
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         'C20 H24 Cu1.50 N O8'
_chemical_formula_sum            'C20 H24 Cu1.5 N O8'
_chemical_formula_weight         501.71
_chemical_melting_point          ?
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 101.446(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   7.849(5)
_cell_length_b                   14.739(5)
_cell_length_c                   18.495(5)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.5
_cell_measurement_theta_min      2.3
_cell_volume                     2097.1(16)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.907
_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     0.71069
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_sigmaI/netI    0.0387
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            15939
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.47
_diffrn_reflns_theta_min         2.25
_exptl_absorpt_coefficient_mu    1.582
_exptl_absorpt_correction_T_max  0.302
_exptl_absorpt_correction_T_min  0.264
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1034
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.647
_refine_diff_density_min         -0.370
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     283
_refine_ls_number_reflns         5277
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0595
_refine_ls_R_factor_gt           0.0397
_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)+(0.0555P)²+0.9269P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1019
_refine_ls_wR_factor_ref         0.1107
_reflns_number_gt                3928
_reflns_number_total             5277
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg300434k_si_002.cif
_cod_data_source_block           compound6
_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
'Monoclinic' changed to 'monoclinic' 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_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C20 H24 Cu1.50 N O8'
_cod_database_code               4506316
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 -0.2583(3) 0.58418(18) 0.79566(14) 0.0281(5) Uani 1 1 d .
C2 C -0.1079(3) 0.53942(17) 0.84578(14) 0.0254(5) Uani 1 1 d .
C3 C -0.0634(4) 0.44889(19) 0.83736(15) 0.0312(6) Uani 1 1 d .
H3 H -0.1292 0.4144 0.7999 0.037 Uiso 1 1 calc R
C4 C 0.0768(4) 0.40975(19) 0.88383(16) 0.0356(6) Uani 1 1 d .
H4 H 0.1049 0.3493 0.8780 0.043 Uiso 1 1 calc R
C5 C 0.1745(3) 0.46150(19) 0.93900(14) 0.0302(6) Uani 1 1 d .
C6 C 0.1332(3) 0.55152(19) 0.94878(15) 0.0315(6) Uani 1 1 d .
H6 H 0.2001 0.5860 0.9860 0.038 Uiso 1 1 calc R
C7 C -0.0087(4) 0.58930(18) 0.90242(15) 0.0305(6) Uani 1 1 d .
H7 H -0.0382 0.6493 0.9093 0.037 Uiso 1 1 calc R
C8 C 0.4226(3) 0.36294(18) 0.97551(15) 0.0312(6) Uani 1 1 d .
C9 C 0.4855(4) 0.30276(18) 1.03093(15) 0.0321(6) Uani 1 1 d .
H9 H 0.4452 0.3046 1.0749 0.038 Uiso 1 1 calc R
C10 C 0.6087(4) 0.23934(18) 1.02129(15) 0.0318(6) Uani 1 1 d .
H10 H 0.6528 0.1995 1.0594 0.038 Uiso 1 1 calc R
C11 C 0.6678(3) 0.23433(17) 0.95500(14) 0.0253(5) Uani 1 1 d .
C12 C 0.6036(4) 0.29580(19) 0.89961(15) 0.0324(6) Uani 1 1 d .
H12 H 0.6425 0.2937 0.8553 0.039 Uiso 1 1 calc R
C13 C 0.4812(4) 0.3610(2) 0.90962(16) 0.0375(7) Uani 1 1 d .
H13 H 0.4394 0.4025 0.8725 0.045 Uiso 1 1 calc R
C14 C 0.7936(3) 0.16193(17) 0.94305(15) 0.0290(5) Uani 1 1 d .
C15 C 1.3146(4) 0.0446(2) 0.94381(17) 0.0392(7) Uani 1 1 d .
H15A H 1.3321 -0.0202 0.9507 0.047 Uiso 1 1 calc R
H15B H 1.3894 0.0756 0.9844 0.047 Uiso 1 1 calc R
C16 C 1.3602(4) 0.0735(3) 0.8710(2) 0.0506(8) Uani 1 1 d .
H16A H 1.3770 0.1387 0.8706 0.061 Uiso 1 1 calc R
H16B H 1.4675 0.0445 0.8650 0.061 Uiso 1 1 calc R
C17 C 1.2188(5) 0.1943(3) 0.7444(2) 0.0567(9) Uani 1 1 d .
H17A H 1.3267 0.2182 0.7728 0.068 Uiso 1 1 calc R
H17B H 1.2022 0.2199 0.6952 0.068 Uiso 1 1 calc R
C18 C 1.2324(5) 0.0923(3) 0.7396(2) 0.0595(10) Uani 1 1 d .
H18A H 1.1405 0.0700 0.7006 0.071 Uiso 1 1 calc R
H18B H 1.3428 0.0765 0.7268 0.071 Uiso 1 1 calc R
C19 C 1.2125(5) -0.0514(3) 0.7986(2) 0.0655(11) Uani 1 1 d .
H19A H 1.1180 -0.0660 0.7588 0.098 Uiso 1 1 calc R
H19B H 1.1956 -0.0811 0.8428 0.098 Uiso 1 1 calc R
H19C H 1.3199 -0.0714 0.7865 0.098 Uiso 1 1 calc R
C20 C 1.2216(7) 0.1476(3) 1.1257(3) 0.0798(14) Uani 1 1 d D
H20A H 1.3043 0.1610 1.1700 0.120 Uiso 1 1 calc R
H20B H 1.1094 0.1702 1.1301 0.120 Uiso 1 1 calc R
H20C H 1.2574 0.1762 1.0845 0.120 Uiso 1 1 calc R
N1 N 1.2189(3) 0.04735(17) 0.81029(13) 0.0350(5) Uani 1 1 d .
O1 O 0.8507(3) 0.11004(13) 0.99605(11) 0.0367(5) Uani 1 1 d .
O2 O 0.8274(3) 0.15810(15) 0.87913(11) 0.0408(5) Uani 1 1 d .
O3 O 0.3091(3) 0.42769(15) 0.99181(11) 0.0455(6) Uani 1 1 d .
O4 O -0.2994(3) 0.66214(14) 0.81077(12) 0.0488(6) Uani 1 1 d .
O5 O -0.3362(2) 0.53916(13) 0.73996(10) 0.0324(4) Uani 1 1 d .
O6 O 1.1380(2) 0.06671(13) 0.94299(10) 0.0306(4) Uani 1 1 d .
O7 O 1.0793(3) 0.22153(15) 0.77788(13) 0.0474(5) Uani 1 1 d D
O8 O 1.2124(4) 0.05446(17) 1.11480(14) 0.0637(7) Uani 1 1 d D
Cu1 Cu 1.0000 0.0000 1.0000 0.02852(13) Uani 1 2 d S
Cu2 Cu 1.00765(4) 0.09105(2) 0.845478(17) 0.02911(11) Uani 1 1 d .
H01 H 0.980(2) 0.213(2) 0.7455(14) 0.044 Uiso 1 1 d D
H02 H 1.211(4) 0.0182(9) 1.1545(9) 0.044 Uiso 1 1 d 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
O4 C1 O5 124.0(2) . .
O4 C1 C2 118.4(2) . .
O5 C1 C2 117.6(2) . .
C7 C2 C3 118.4(2) . .
C7 C2 C1 119.3(2) . .
C3 C2 C1 122.3(2) . .
C4 C3 C2 121.1(3) . .
C4 C3 H3 119.5 . .
C2 C3 H3 119.5 . .
C5 C4 C3 119.1(3) . .
C5 C4 H4 120.4 . .
C3 C4 H4 120.4 . .
C4 C5 O3 124.0(2) . .
C4 C5 C6 121.1(2) . .
O3 C5 C6 114.8(2) . .
C7 C6 C5 119.1(3) . .
C7 C6 H6 120.5 . .
C5 C6 H6 120.5 . .
C6 C7 C2 121.2(2) . .
C6 C7 H7 119.4 . .
C2 C7 H7 119.4 . .
C9 C8 O3 115.9(2) . .
C9 C8 C13 120.7(2) . .
O3 C8 C13 123.2(3) . .
C8 C9 C10 119.9(2) . .
C8 C9 H9 120.1 . .
C10 C9 H9 120.1 . .
C9 C10 C11 120.8(2) . .
C9 C10 H10 119.6 . .
C11 C10 H10 119.6 . .
C12 C11 C10 118.6(2) . .
C12 C11 C14 120.7(2) . .
C10 C11 C14 120.7(2) . .
C11 C12 C13 120.7(2) . .
C11 C12 H12 119.7 . .
C13 C12 H12 119.7 . .
C8 C13 C12 119.2(3) . .
C8 C13 H13 120.4 . .
C12 C13 H13 120.4 . .
O1 C14 O2 126.6(2) . .
O1 C14 C11 117.5(2) . .
O2 C14 C11 115.9(2) . .
O6 C15 C16 109.1(2) . .
O6 C15 H15A 109.9 . .
C16 C15 H15A 109.9 . .
O6 C15 H15B 109.9 . .
C16 C15 H15B 109.9 . .
H15A C15 H15B 108.3 . .
N1 C16 C15 109.2(2) . .
N1 C16 H16A 109.8 . .
C15 C16 H16A 109.8 . .
N1 C16 H16B 109.8 . .
C15 C16 H16B 109.8 . .
H16A C16 H16B 108.3 . .
O7 C17 C18 112.1(3) . .
O7 C17 H17A 109.2 . .
C18 C17 H17A 109.2 . .
O7 C17 H17B 109.2 . .
C18 C17 H17B 109.2 . .
H17A C17 H17B 107.9 . .
N1 C18 C17 111.8(3) . .
N1 C18 H18A 109.2 . .
C17 C18 H18A 109.2 . .
N1 C18 H18B 109.2 . .
C17 C18 H18B 109.2 . .
H18A C18 H18B 107.9 . .
N1 C19 H19A 109.5 . .
N1 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
N1 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
O8 C20 H20A 109.5 . .
O8 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
O8 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C16 N1 C19 111.8(3) . .
C16 N1 C18 112.4(3) . .
C19 N1 C18 108.5(3) . .
C16 N1 Cu2 102.47(18) . .
C19 N1 Cu2 111.1(2) . .
C18 N1 Cu2 110.5(2) . .
C14 O1 Cu1 129.87(18) . .
C14 O2 Cu2 128.98(18) . .
C8 O3 C5 122.1(2) . .
C1 O5 Cu2 125.14(17) . 2_556
C15 O6 Cu2 112.91(17) . .
C15 O6 Cu1 122.06(17) . .
Cu2 O6 Cu1 110.89(10) . .
C17 O7 Cu2 106.23(19) . .
C17 O7 H01 108(2) . .
Cu2 O7 H01 88(2) . .
C20 O8 H02 118.2(12) . .
O6 Cu1 O6 180.0 3_757 .
O6 Cu1 O1 87.42(9) 3_757 3_757
O6 Cu1 O1 92.58(8) . 3_757
O6 Cu1 O1 92.58(8) 3_757 .
O6 Cu1 O1 87.42(9) . .
O1 Cu1 O1 180.000(1) 3_757 .
O6 Cu2 O2 94.64(8) . .
O6 Cu2 N1 85.64(9) . .
O2 Cu2 N1 167.77(10) . .
O6 Cu2 O5 144.51(8) . 2_546
O2 Cu2 O5 91.68(9) . 2_546
N1 Cu2 O5 95.17(10) . 2_546
O6 Cu2 O7 119.87(8) . .
O2 Cu2 O7 91.15(9) . .
N1 Cu2 O7 78.21(9) . .
O5 Cu2 O7 94.82(8) 2_546 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O4 1.240(3) .
C1 O5 1.275(3) .
C1 C2 1.501(4) .
C2 C7 1.386(4) .
C2 C3 1.396(4) .
C3 C4 1.381(4) .
C3 H3 0.9300 .
C4 C5 1.378(4) .
C4 H4 0.9300 .
C5 O3 1.382(3) .
C5 C6 1.386(4) .
C6 C7 1.380(4) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9 1.371(4) .
C8 O3 1.379(3) .
C8 C13 1.385(4) .
C9 C10 1.382(4) .
C9 H9 0.9300 .
C10 C11 1.396(4) .
C10 H10 0.9300 .
C11 C12 1.385(4) .
C11 C14 1.500(3) .
C12 C13 1.397(4) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 O1 1.254(3) .
C14 O2 1.263(3) .
C15 O6 1.421(3) .
C15 C16 1.521(5) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 N1 1.464(4) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 O7 1.419(4) .
C17 C18 1.512(5) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 N1 1.488(4) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 N1 1.471(4) .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 O8 1.388(4) .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
N1 Cu2 2.004(2) .
O1 Cu1 1.9938(19) .
O2 Cu2 1.927(2) .
O5 Cu2 2.0120(19) 2_556
O6 Cu2 1.9224(19) .
O6 Cu1 1.9249(19) .
O7 Cu2 2.420(2) .
O7 H01 0.893(10) .
O8 H02 0.910(9) .
Cu1 O6 1.9249(19) 3_757
Cu1 O1 1.9938(19) 3_757
Cu2 O5 2.012(2) 2_546
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
O4 C1 C2 C7 -6.7(4) .
O5 C1 C2 C7 173.4(2) .
O4 C1 C2 C3 173.4(3) .
O5 C1 C2 C3 -6.4(4) .
C7 C2 C3 C4 -0.5(4) .
C1 C2 C3 C4 179.3(3) .
C2 C3 C4 C5 -0.4(4) .
C3 C4 C5 O3 175.0(3) .
C3 C4 C5 C6 0.6(4) .
C4 C5 C6 C7 0.2(4) .
O3 C5 C6 C7 -174.7(3) .
C5 C6 C7 C2 -1.2(4) .
C3 C2 C7 C6 1.3(4) .
C1 C2 C7 C6 -178.5(2) .
O3 C8 C9 C10 -175.7(3) .
C13 C8 C9 C10 0.1(4) .
C8 C9 C10 C11 -1.4(4) .
C9 C10 C11 C12 1.6(4) .
C9 C10 C11 C14 -176.4(2) .
C10 C11 C12 C13 -0.5(4) .
C14 C11 C12 C13 177.4(3) .
C9 C8 C13 C12 1.0(5) .
O3 C8 C13 C12 176.4(3) .
C11 C12 C13 C8 -0.7(5) .
C12 C11 C14 O1 178.0(3) .
C10 C11 C14 O1 -4.1(4) .
C12 C11 C14 O2 -3.9(4) .
C10 C11 C14 O2 174.0(3) .
O6 C15 C16 N1 -43.8(4) .
O7 C17 C18 N1 -46.3(4) .
C15 C16 N1 C19 -71.6(3) .
C15 C16 N1 C18 166.1(3) .
C15 C16 N1 Cu2 47.4(3) .
C17 C18 N1 C16 -62.4(4) .
C17 C18 N1 C19 173.4(3) .
C17 C18 N1 Cu2 51.4(4) .
O2 C14 O1 Cu1 -4.1(4) .
C11 C14 O1 Cu1 173.69(17) .
O1 C14 O2 Cu2 -13.9(4) .
C11 C14 O2 Cu2 168.27(18) .
C9 C8 O3 C5 -147.2(3) .
C13 C8 O3 C5 37.1(4) .
C4 C5 O3 C8 38.1(4) .
C6 C5 O3 C8 -147.2(3) .
O4 C1 O5 Cu2 12.9(4) 2_556
C2 C1 O5 Cu2 -167.22(16) 2_556
C16 C15 O6 Cu2 16.5(3) .
C16 C15 O6 Cu1 152.6(2) .
C18 C17 O7 Cu2 19.4(3) .
C15 O6 Cu1 O6 133(100) 3_757
Cu2 O6 Cu1 O6 -90(100) 3_757
C15 O6 Cu1 O1 -23.6(2) 3_757
Cu2 O6 Cu1 O1 113.34(11) 3_757
C15 O6 Cu1 O1 156.4(2) .
Cu2 O6 Cu1 O1 -66.66(11) .
C14 O1 Cu1 O6 -136.7(2) 3_757
C14 O1 Cu1 O6 43.3(2) .
C14 O1 Cu1 O1 144(100) 3_757
C15 O6 Cu2 O2 -159.42(19) .
Cu1 O6 Cu2 O2 59.49(11) .
C15 O6 Cu2 N1 8.31(19) .
Cu1 O6 Cu2 N1 -132.78(12) .
C15 O6 Cu2 O5 101.1(2) 2_546
Cu1 O6 Cu2 O5 -39.98(18) 2_546
C15 O6 Cu2 O7 -65.4(2) .
Cu1 O6 Cu2 O7 153.49(9) .
C14 O2 Cu2 O6 -14.8(3) .
C14 O2 Cu2 N1 -105.7(5) .
C14 O2 Cu2 O5 130.2(3) 2_546
C14 O2 Cu2 O7 -134.9(3) .
C16 N1 Cu2 O6 -30.98(19) .
C19 N1 Cu2 O6 88.6(2) .
C18 N1 Cu2 O6 -151.0(2) .
C16 N1 Cu2 O2 60.8(5) .
C19 N1 Cu2 O2 -180(26) .
C18 N1 Cu2 O2 -59.2(5) .
C16 N1 Cu2 O5 -175.38(19) 2_546
C19 N1 Cu2 O5 -55.8(2) 2_546
C18 N1 Cu2 O5 64.6(2) 2_546
C16 N1 Cu2 O7 90.8(2) .
C19 N1 Cu2 O7 -149.7(2) .
C18 N1 Cu2 O7 -29.2(2) .
C17 O7 Cu2 O6 83.4(2) .
C17 O7 Cu2 O2 179.4(2) .
C17 O7 Cu2 N1 5.5(2) .
C17 O7 Cu2 O5 -88.8(2) 2_546
