#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:30:31 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179582 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/47/4504755.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_4504755
loop_
_publ_author_name
'Akhriff, Youness'
'Server-Carrió, Juan'
'García-Lozano, Julia'
'Folgado, José Vicente'
'Sancho, Amparo'
'Escrivà, Emilio'
'Vitoria, Pablo'
'Soto, Lucía'
_publ_section_title
;
 Supramolecular Structures from Three New Molecular Building Blocks Based
 on the Protonation/Deprotonation of 3,3-Bis(2-imidazolyl)propionic Acid
 (HBIP):  [H3BIP](C4O4)·H2O, [Cu(HBIP)2](HC4O4)2, and
 [Cu(BIP)2]·2H2O
;
_journal_issue                   5
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1124
_journal_paper_doi               10.1021/cg050543q
_journal_volume                  6
_journal_year                    2006
_chemical_formula_sum            'C18 H22 Cu N8 O6'
_chemical_formula_weight         509.98
_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   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.29(1)
_cell_angle_beta                 106.54(1)
_cell_angle_gamma                105.85(1)
_cell_formula_units_Z            2
_cell_length_a                   8.978(1)
_cell_length_b                   10.047(1)
_cell_length_c                   12.531(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      7
_cell_volume                     1038.14(19)
_computing_cell_refinement       'CAD4 EXPRESS'
_computing_data_collection       'CAD4 EXPRESS'
_computing_data_reduction        'XRAY76 (Stewart, 1976)'
_computing_molecular_graphics    'ORTEP3 (Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Enraf Nonius CAD4'
_diffrn_measurement_method       'Omega-2theta scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0028
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3643
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         1.70
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  90
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.108
_exptl_absorpt_correction_T_max  0.897
_exptl_absorpt_correction_T_min  0.808
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Walker et al.'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.631
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             526
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.432
_refine_diff_density_min         -0.471
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         3643
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0670
_refine_ls_R_factor_gt           0.0488
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1096P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1344
_refine_ls_wR_factor_ref         0.1563
_reflns_number_gt                2726
_reflns_number_total             3643
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg050543qsi20051014_044248.cif
_cod_data_source_block           '[Cu(BIP)2].2H2O'
_cod_original_cell_volume        1038.1(2)
_cod_database_code               4504755
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
Cu1 Cu 0.0000 0.0000 0.0000 0.0230(2) Uani 1 2 d S
O11 O -0.0237(4) -0.2547(3) -0.0151(3) 0.0398(8) Uani 1 1 d .
O21 O 0.2132(5) -0.3005(4) 0.0455(3) 0.0468(9) Uani 1 1 d .
O3 O -0.3186(4) -0.4639(4) -0.1036(3) 0.0458(9) Uani 1 1 d .
H3A H -0.2300 -0.4001 -0.0728 0.055 Uiso 1 1 d R
H3B H -0.2856 -0.5437 -0.0854 0.055 Uiso 1 1 d R
N11 N -0.2043(4) -0.1482(4) 0.2445(3) 0.0321(8) Uani 1 1 d .
H11 H -0.2016 -0.1916 0.3038 0.038 Uiso 1 1 calc R
N21 N -0.1320(4) -0.0526(4) 0.1038(3) 0.0275(8) Uani 1 1 d .
N31 N 0.1970(4) 0.0325(3) 0.1333(3) 0.0236(7) Uani 1 1 d .
N41 N 0.3486(4) 0.0086(4) 0.2987(3) 0.0301(8) Uani 1 1 d .
H41 H 0.3793 -0.0227 0.3625 0.036 Uiso 1 1 calc R
C11 C 0.0859(6) -0.2840(4) 0.0591(3) 0.0315(10) Uani 1 1 d .
C21 C 0.0684(6) -0.2952(4) 0.1766(3) 0.0308(10) Uani 1 1 d .
H21A H 0.1580 -0.3245 0.2234 0.037 Uiso 1 1 calc R
H21B H -0.0310 -0.3666 0.1731 0.037 Uiso 1 1 calc R
C31 C 0.0652(5) -0.1585(4) 0.2322(3) 0.0256(9) Uani 1 1 d .
H31 H 0.0839 -0.1700 0.3122 0.031 Uiso 1 1 calc R
C41 C -0.0903(5) -0.1217(4) 0.1919(3) 0.0259(9) Uani 1 1 d .
C51 C -0.3263(6) -0.0942(5) 0.1875(4) 0.0396(11) Uani 1 1 d .
H51 H -0.4213 -0.0981 0.2051 0.048 Uiso 1 1 calc R
C61 C -0.2812(5) -0.0346(5) 0.1013(4) 0.0334(10) Uani 1 1 d .
H61 H -0.3402 0.0111 0.0486 0.040 Uiso 1 1 calc R
C71 C 0.2022(5) -0.0398(4) 0.2220(3) 0.0240(8) Uani 1 1 d .
C81 C 0.3448(5) 0.1312(4) 0.1559(3) 0.0326(10) Uani 1 1 d .
H81 H 0.3746 0.1977 0.1087 0.039 Uiso 1 1 calc R
C91 C 0.4399(6) 0.1164(5) 0.2575(4) 0.0378(11) Uani 1 1 d .
H91 H 0.5462 0.1689 0.2924 0.045 Uiso 1 1 calc R
Cu2 Cu 0.0000 -0.5000 0.5000 0.0236(2) Uani 1 2 d S
O12 O 0.0307(4) -0.2470(3) 0.4918(3) 0.0381(8) Uani 1 1 d .
O22 O -0.2000(4) -0.1924(4) 0.4605(2) 0.0380(8) Uani 1 1 d .
O4 O 0.3218(4) -0.0360(4) 0.5216(3) 0.0439(8) Uani 1 1 d .
H4A H 0.2213 -0.1073 0.5254 0.053 Uiso 1 1 d R
H4B H 0.2705 0.0387 0.5248 0.053 Uiso 1 1 d R
N12 N 0.2088(4) -0.3615(3) 0.8318(3) 0.0272(8) Uani 1 1 d .
H12 H 0.2087 -0.3189 0.8915 0.033 Uiso 1 1 calc R
N22 N 0.1373(4) -0.4453(4) 0.6576(3) 0.0286(8) Uani 1 1 d .
N32 N -0.1949(4) -0.5232(3) 0.5557(3) 0.0249(7) Uani 1 1 d .
N42 N -0.3297(4) -0.5023(4) 0.6730(3) 0.0293(8) Uani 1 1 d .
H42 H -0.3543 -0.4711 0.7278 0.035 Uiso 1 1 calc R
C12 C -0.0749(5) -0.2128(4) 0.5249(3) 0.0264(9) Uani 1 1 d .
C22 C -0.0507(5) -0.1962(4) 0.6498(3) 0.0294(9) Uani 1 1 d .
H22A H -0.1352 -0.1603 0.6619 0.035 Uiso 1 1 calc R
H22B H 0.0525 -0.1277 0.6847 0.035 Uiso 1 1 calc R
C32 C -0.0536(5) -0.3320(4) 0.7088(3) 0.0234(8) Uani 1 1 d .
H32 H -0.0701 -0.3160 0.7813 0.028 Uiso 1 1 calc R
C42 C 0.0990(5) -0.3757(4) 0.7317(3) 0.0232(8) Uani 1 1 d .
C52 C 0.3219(5) -0.4263(5) 0.8235(4) 0.0321(10) Uani 1 1 d .
H52 H 0.4108 -0.4344 0.8804 0.039 Uiso 1 1 calc R
C62 C 0.2769(5) -0.4759(4) 0.7151(3) 0.0287(9) Uani 1 1 d .
H62 H 0.3323 -0.5235 0.6841 0.034 Uiso 1 1 calc R
C72 C -0.1917(5) -0.4506(4) 0.6457(3) 0.0237(8) Uani 1 1 d .
C82 C -0.3389(5) -0.6251(5) 0.5267(4) 0.0335(10) Uani 1 1 d .
H82 H -0.3734 -0.6925 0.4668 0.040 Uiso 1 1 calc R
C92 C -0.4238(5) -0.6137(5) 0.5975(4) 0.0353(10) Uani 1 1 d .
H92 H -0.5259 -0.6702 0.5955 0.042 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
Cu Cu 0.3201 1.2651 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
N21 Cu1 N21 180.00(16) 2 .
N21 Cu1 N31 92.57(14) 2 .
N21 Cu1 N31 87.43(14) . .
N21 Cu1 N31 87.43(14) 2 2
N21 Cu1 N31 92.57(14) . 2
N31 Cu1 N31 180.0(3) . 2
N21 Cu1 O11 83.86(13) 2 2
N21 Cu1 O11 96.14(13) . 2
N31 Cu1 O11 89.36(12) . 2
N31 Cu1 O11 90.64(12) 2 2
N21 Cu1 O11 96.14(13) 2 .
N21 Cu1 O11 83.86(13) . .
N31 Cu1 O11 90.64(12) . .
N31 Cu1 O11 89.36(12) 2 .
O11 Cu1 O11 180.00(19) 2 .
C11 O11 Cu1 111.7(3) . .
H3A O3 H3B 100.9 . .
C41 N11 C51 108.1(3) . .
C41 N11 H11 125.9 . .
C51 N11 H11 125.9 . .
C41 N21 C61 106.1(3) . .
C41 N21 Cu1 123.1(3) . .
C61 N21 Cu1 130.8(3) . .
C71 N31 C81 106.6(3) . .
C71 N31 Cu1 123.6(3) . .
C81 N31 Cu1 129.8(3) . .
C71 N41 C91 108.2(3) . .
C71 N41 H41 125.9 . .
C91 N41 H41 125.9 . .
O11 C11 O21 124.9(4) . .
O11 C11 C21 118.1(4) . .
O21 C11 C21 117.0(4) . .
C11 C21 C31 114.2(3) . .
C11 C21 H21A 108.7 . .
C31 C21 H21A 108.7 . .
C11 C21 H21B 108.7 . .
C31 C21 H21B 108.7 . .
H21A C21 H21B 107.6 . .
C41 C31 C71 109.6(3) . .
C41 C31 C21 115.6(3) . .
C71 C31 C21 110.5(3) . .
C41 C31 H31 106.9 . .
C71 C31 H31 106.9 . .
C21 C31 H31 106.9 . .
N21 C41 N11 110.5(4) . .
N21 C41 C31 125.7(4) . .
N11 C41 C31 123.8(3) . .
C61 C51 N11 106.4(4) . .
C61 C51 H51 126.8 . .
N11 C51 H51 126.8 . .
C51 C61 N21 109.0(4) . .
C51 C61 H61 125.5 . .
N21 C61 H61 125.5 . .
N31 C71 N41 109.7(4) . .
N31 C71 C31 124.2(3) . .
N41 C71 C31 126.1(3) . .
C91 C81 N31 109.3(4) . .
C91 C81 H81 125.3 . .
N31 C81 H81 125.3 . .
C81 C91 N41 106.2(4) . .
C81 C91 H91 126.9 . .
N41 C91 H91 126.9 . .
N22 Cu2 N22 180.0 . 2_546
N22 Cu2 N32 92.50(14) . 2_546
N22 Cu2 N32 87.50(14) 2_546 2_546
N22 Cu2 N32 87.50(14) . .
N22 Cu2 N32 92.50(14) 2_546 .
N32 Cu2 N32 180.00(8) 2_546 .
N22 Cu2 O12 84.29(13) . .
N22 Cu2 O12 95.71(13) 2_546 .
N32 Cu2 O12 89.67(12) 2_546 .
N32 Cu2 O12 90.33(12) . .
N22 Cu2 O12 95.71(13) . 2_546
N22 Cu2 O12 84.29(13) 2_546 2_546
N32 Cu2 O12 90.33(12) 2_546 2_546
N32 Cu2 O12 89.67(12) . 2_546
O12 Cu2 O12 180.0 . 2_546
C12 O12 Cu2 111.2(3) . .
H4A O4 H4B 90.5 . .
C42 N12 C52 108.5(3) . .
C42 N12 H12 125.7 . .
C52 N12 H12 125.7 . .
C42 N22 C62 106.1(3) . .
C42 N22 Cu2 123.7(3) . .
C62 N22 Cu2 130.1(3) . .
C72 N32 C82 106.2(3) . .
C72 N32 Cu2 123.3(3) . .
C82 N32 Cu2 129.6(3) . .
C72 N42 C92 107.4(3) . .
C72 N42 H42 126.3 . .
C92 N42 H42 126.3 . .
O22 C12 O12 123.7(4) . .
O22 C12 C22 117.7(4) . .
O12 C12 C22 118.6(4) . .
C12 C22 C32 114.6(3) . .
C12 C22 H22A 108.6 . .
C32 C22 H22A 108.6 . .
C12 C22 H22B 108.6 . .
C32 C22 H22B 108.6 . .
H22A C22 H22B 107.6 . .
C72 C32 C42 108.1(3) . .
C72 C32 C22 111.8(3) . .
C42 C32 C22 115.4(3) . .
C72 C32 H32 107.0 . .
C42 C32 H32 107.0 . .
C22 C32 H32 107.0 . .
N22 C42 N12 110.0(4) . .
N22 C42 C32 124.9(3) . .
N12 C42 C32 124.8(3) . .
C62 C52 N12 105.6(4) . .
C62 C52 H52 127.2 . .
N12 C52 H52 127.2 . .
C52 C62 N22 109.8(4) . .
C52 C62 H62 125.1 . .
N22 C62 H62 125.1 . .
N32 C72 N42 110.2(4) . .
N32 C72 C32 124.8(4) . .
N42 C72 C32 124.9(3) . .
C92 C82 N32 109.9(4) . .
C92 C82 H82 125.0 . .
N32 C82 H82 125.0 . .
C82 C92 N42 106.3(4) . .
C82 C92 H92 126.9 . .
N42 C92 H92 126.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N21 1.980(3) 2
Cu1 N21 1.980(3) .
Cu1 N31 2.005(3) .
Cu1 N31 2.005(3) 2
Cu1 O11 2.511(3) 2
Cu1 O11 2.511(3) .
O11 C11 1.249(5) .
O21 C11 1.256(6) .
O3 H3A 0.8584 .
O3 H3B 0.9358 .
N11 C41 1.338(5) .
N11 C51 1.374(6) .
N11 H11 0.8600 .
N21 C41 1.324(5) .
N21 C61 1.392(5) .
N31 C71 1.327(5) .
N31 C81 1.374(5) .
N41 C71 1.347(5) .
N41 C91 1.369(6) .
N41 H41 0.8600 .
C11 C21 1.526(6) .
C21 C31 1.548(6) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C31 C41 1.491(6) .
C31 C71 1.498(6) .
C31 H31 0.9800 .
C51 C61 1.347(6) .
C51 H51 0.9300 .
C61 H61 0.9300 .
C81 C91 1.350(6) .
C81 H81 0.9300 .
C91 H91 0.9300 .
Cu2 N22 1.988(3) .
Cu2 N22 1.988(3) 2_546
Cu2 N32 2.020(3) 2_546
Cu2 N32 2.020(3) .
Cu2 O12 2.487(3) .
Cu2 O12 2.487(3) 2_546
O12 C12 1.260(5) .
O22 C12 1.251(5) .
O4 H4A 1.0006 .
O4 H4B 0.9874 .
N12 C42 1.335(5) .
N12 C52 1.374(6) .
N12 H12 0.8600 .
N22 C42 1.333(5) .
N22 C62 1.372(5) .
N32 C72 1.328(5) .
N32 C82 1.363(5) .
N42 C72 1.347(5) .
N42 C92 1.371(6) .
N42 H42 0.8600 .
C12 C22 1.521(5) .
C22 C32 1.552(5) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C32 C72 1.486(6) .
C32 C42 1.503(5) .
C32 H32 0.9800 .
C52 C62 1.351(6) .
C52 H52 0.9300 .
C62 H62 0.9300 .
C82 C92 1.346(6) .
C82 H82 0.9300 .
C92 H92 0.9300 .
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
O3 H3B O21 0.94 1.87 2.807(5) 178.0 2_545
O3 H3A O11 0.86 1.96 2.814(5) 175.0 .
N11 H11 O22 0.86 1.96 2.736(4) 149.4 .
N41 H41 O4 0.86 2.19 2.898(5) 139.0 .
O4 H4A O12 1.00 1.83 2.806(5) 164.3 .
O4 H4B O22 0.99 1.85 2.832(5) 173.0 2_556
N12 H12 O21 0.86 1.92 2.730(4) 155.3 1_556
N42 H42 O3 0.86 2.04 2.794(5) 145.4 1_556
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
N21 Cu1 O11 C11 92.6(3) 2
N21 Cu1 O11 C11 -87.4(3) .
N31 Cu1 O11 C11 -0.1(3) .
N31 Cu1 O11 C11 179.9(3) 2
N31 Cu1 N21 C41 -36.6(3) .
N31 Cu1 N21 C41 143.4(3) 2
O11 Cu1 N21 C41 -125.7(3) 2
O11 Cu1 N21 C41 54.3(3) .
N31 Cu1 N21 C61 146.5(4) .
N31 Cu1 N21 C61 -33.5(4) 2
O11 Cu1 N21 C61 57.4(4) 2
O11 Cu1 N21 C61 -122.6(4) .
N21 Cu1 N31 C71 -147.6(3) 2
N21 Cu1 N31 C71 32.4(3) .
O11 Cu1 N31 C71 128.6(3) 2
O11 Cu1 N31 C71 -51.4(3) .
N21 Cu1 N31 C81 35.7(4) 2
N21 Cu1 N31 C81 -144.3(4) .
O11 Cu1 N31 C81 -48.1(4) 2
O11 Cu1 N31 C81 131.9(4) .
Cu1 O11 C11 O21 -99.2(4) .
Cu1 O11 C11 C21 78.2(4) .
O11 C11 C21 C31 -62.3(5) .
O21 C11 C21 C31 115.3(4) .
C11 C21 C31 C41 76.4(5) .
C11 C21 C31 C71 -48.8(5) .
C61 N21 C41 N11 0.1(5) .
Cu1 N21 C41 N11 -177.5(3) .
C61 N21 C41 C31 -176.5(4) .
Cu1 N21 C41 C31 5.9(6) .
C51 N11 C41 N21 0.3(5) .
C51 N11 C41 C31 177.0(4) .
C71 C31 C41 N21 39.8(5) .
C21 C31 C41 N21 -85.9(5) .
C71 C31 C41 N11 -136.4(4) .
C21 C31 C41 N11 97.9(4) .
C41 N11 C51 C61 -0.5(5) .
N11 C51 C61 N21 0.6(5) .
C41 N21 C61 C51 -0.4(5) .
Cu1 N21 C61 C51 176.9(3) .
C81 N31 C71 N41 -0.9(5) .
Cu1 N31 C71 N41 -178.2(3) .
C81 N31 C71 C31 -179.8(4) .
Cu1 N31 C71 C31 2.8(5) .
C91 N41 C71 N31 0.3(5) .
C91 N41 C71 C31 179.3(4) .
C41 C31 C71 N31 -44.1(5) .
C21 C31 C71 N31 84.5(5) .
C41 C31 C71 N41 137.1(4) .
C21 C31 C71 N41 -94.3(5) .
C71 N31 C81 C91 1.1(5) .
Cu1 N31 C81 C91 178.3(3) .
N31 C81 C91 N41 -0.9(5) .
C71 N41 C91 C81 0.4(5) .
N22 Cu2 O12 C12 -86.1(3) .
N22 Cu2 O12 C12 93.9(3) 2_546
N32 Cu2 O12 C12 -178.7(3) 2_546
N32 Cu2 O12 C12 1.3(3) .
N32 Cu2 N22 C42 146.4(3) 2_546
N32 Cu2 N22 C42 -33.6(3) .
O12 Cu2 N22 C42 57.0(3) .
O12 Cu2 N22 C42 -123.0(3) 2_546
N32 Cu2 N22 C62 -38.7(4) 2_546
N32 Cu2 N22 C62 141.3(4) .
O12 Cu2 N22 C62 -128.1(4) .
O12 Cu2 N22 C62 51.9(4) 2_546
N22 Cu2 N32 C72 29.2(3) .
N22 Cu2 N32 C72 -150.8(3) 2_546
O12 Cu2 N32 C72 -55.1(3) .
O12 Cu2 N32 C72 124.9(3) 2_546
N22 Cu2 N32 C82 -137.8(4) .
N22 Cu2 N32 C82 42.2(4) 2_546
O12 Cu2 N32 C82 138.0(4) .
O12 Cu2 N32 C82 -42.0(4) 2_546
Cu2 O12 C12 O22 -101.3(4) .
Cu2 O12 C12 C22 78.2(4) .
O22 C12 C22 C32 115.1(4) .
O12 C12 C22 C32 -64.4(5) .
C12 C22 C32 C72 -46.3(5) .
C12 C22 C32 C42 77.8(4) .
C62 N22 C42 N12 0.3(5) .
Cu2 N22 C42 N12 176.2(3) .
C62 N22 C42 C32 -174.2(4) .
Cu2 N22 C42 C32 1.8(6) .
C52 N12 C42 N22 -1.0(5) .
C52 N12 C42 C32 173.4(4) .
C72 C32 C42 N22 43.9(5) .
C22 C32 C42 N22 -82.2(5) .
C72 C32 C42 N12 -129.8(4) .
C22 C32 C42 N12 104.2(4) .
C42 N12 C52 C62 1.4(5) .
N12 C52 C62 N22 -1.2(5) .
C42 N22 C62 C52 0.6(5) .
Cu2 N22 C62 C52 -175.0(3) .
C82 N32 C72 N42 -0.9(5) .
Cu2 N32 C72 N42 -170.4(3) .
C82 N32 C72 C32 177.5(4) .
Cu2 N32 C72 C32 8.0(5) .
C92 N42 C72 N32 0.7(5) .
C92 N42 C72 C32 -177.7(4) .
C42 C32 C72 N32 -49.0(5) .
C22 C32 C72 N32 79.1(5) .
C42 C32 C72 N42 129.1(4) .
C22 C32 C72 N42 -102.7(4) .
C72 N32 C82 C92 0.8(5) .
Cu2 N32 C82 C92 169.4(3) .
N32 C82 C92 N42 -0.4(5) .
C72 N42 C92 C82 -0.2(5) .
