#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:29:14 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179181 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/29/4312947.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_4312947
loop_
_publ_author_name
'Miao Du'
'Xian-He Bu'
'Zheng Huang'
'Shen-Tan Chen'
'Ya-Mei Guo'
'Carmen Diaz'
'Joan Ribas'
_publ_contact_author
; Xian-He Bu
  Department of Chemistry, Nankai University, Tianjin 300071,China
;
_publ_contact_author_email       buxh@nankai.edu.cn
_publ_section_title
;
 From Metallacyclophanes to 1-D Coordination Polymers: Role of Anions in
 Self-Assembly Processes of Copper(II) and
 2,5-Bis(3-pyridyl)-1,3,4-oxadiazole
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              552
_journal_page_last               559
_journal_paper_doi               10.1021/ic025851h
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C24 H36 Cl4 Cu2 N8 O28'
_chemical_formula_weight         1153.49
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.253(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.745(5)
_cell_length_b                   16.179(10)
_cell_length_c                   14.930(8)
_cell_measurement_temperature    293(2)
_cell_volume                     2109(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.958
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0542
_diffrn_reflns_av_sigmaI/netI    0.0662
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8340
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.77
_exptl_absorpt_coefficient_mu    1.369
_exptl_absorpt_correction_T_max  0.8210
_exptl_absorpt_correction_T_min  0.7714
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.816
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1172
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.884
_refine_diff_density_min         -0.388
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.973
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     358
_refine_ls_number_reflns         3707
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.973
_refine_ls_R_factor_all          0.1104
_refine_ls_R_factor_gt           0.0604
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0615P)²+3.8049P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1302
_refine_ls_wR_factor_ref         0.1531
_reflns_number_gt                2222
_reflns_number_total             3707
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic025851h-2_s2_1.cif
_cod_data_source_block           1
_cod_database_code               4312947
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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 -0.73046(10) 0.7500 -0.53746(6) 0.0371(3) Uani 1 2 d S . .
Cu2 Cu -0.27740(11) 0.7500 -0.98428(6) 0.0476(3) Uani 1 2 d S . .
Cl2 Cl -0.3192(3) 0.7500 -0.61690(19) 0.0627(7) Uani 1 2 d S . .
Cl3 Cl -0.7014(3) 0.7500 -0.89032(17) 0.0680(7) Uani 1 2 d S . .
O1 O -0.4988(4) 0.5243(3) -0.7601(2) 0.0431(10) Uani 1 1 d . . .
O2 O -0.8470(8) 0.7500 -0.6550(4) 0.0671(19) Uani 1 2 d S . .
O3 O -0.9483(7) 0.7500 -0.4604(4) 0.071(2) Uani 1 2 d S . .
O4 O -0.6100(7) 0.7500 -0.4205(4) 0.0606(17) Uani 1 2 d S . .
O5 O -0.4015(6) 0.7500 -1.1009(3) 0.0524(15) Uani 1 2 d S . .
O6 O -0.0624(8) 0.7500 -1.0585(5) 0.100(3) Uani 1 2 d S . .
O7 O -0.1678(8) 0.7500 -0.8637(4) 0.088(3) Uani 1 2 d S . .
O21 O -0.4576(12) 0.7500 -0.5917(10) 0.178(6) Uani 1 2 d S . .
O22 O -0.2747(15) 0.8229(6) -0.6458(9) 0.245(7) Uani 1 1 d . . .
O23 O -0.272(3) 0.7500 -0.528(2) 0.380(17) Uani 1 2 d S . .
O31 O -0.5580(11) 0.7500 -0.9197(9) 0.156(5) Uani 1 2 d S . .
O32 O -0.7714(18) 0.7500 -0.9748(12) 0.262(10) Uani 1 2 d S . .
O33 O -0.7312(12) 0.8228(5) -0.8471(6) 0.177(4) Uani 1 1 d . . .
N1 N -0.7136(5) 0.6271(3) -0.5464(3) 0.0454(12) Uani 1 1 d . . .
N2 N -0.5682(6) 0.3975(3) -0.7306(3) 0.0518(13) Uani 1 1 d . . .
N3 N -0.4956(6) 0.3978(4) -0.8115(3) 0.0533(14) Uani 1 1 d . . .
N4 N -0.2909(5) 0.6262(4) -0.9756(3) 0.0523(15) Uani 1 1 d . . .
C1 C -0.7595(7) 0.5760(4) -0.4817(4) 0.0517(16) Uani 1 1 d . . .
H1A H -0.8031 0.5993 -0.4322 0.062 Uiso 1 1 calc R . .
C2 C -0.7457(8) 0.4932(4) -0.4848(4) 0.0588(18) Uani 1 1 d . . .
H2A H -0.7783 0.4607 -0.4382 0.071 Uiso 1 1 calc R . .
C3 C -0.6840(7) 0.4574(4) -0.5565(4) 0.0535(16) Uani 1 1 d . . .
H3A H -0.6757 0.4002 -0.5602 0.064 Uiso 1 1 calc R . .
C4 C -0.6337(6) 0.5072(4) -0.6239(3) 0.0420(14) Uani 1 1 d . . .
C5 C -0.6515(6) 0.5917(4) -0.6158(3) 0.0437(14) Uani 1 1 d . . .
H5A H -0.6182 0.6255 -0.6612 0.052 Uiso 1 1 calc R . .
C6 C -0.5679(6) 0.4722(4) -0.7034(3) 0.0416(14) Uani 1 1 d . . .
C7 C -0.4553(6) 0.4724(5) -0.8256(3) 0.0455(15) Uani 1 1 d . . .
C8 C -0.3728(6) 0.5075(4) -0.8990(3) 0.0469(16) Uani 1 1 d . . .
C9 C -0.3013(7) 0.4556(5) -0.9585(4) 0.0588(19) Uani 1 1 d . . .
H9A H -0.3045 0.3985 -0.9523 0.071 Uiso 1 1 calc R . .
C10 C -0.2262(8) 0.4920(5) -1.0265(4) 0.067(2) Uani 1 1 d . . .
H10A H -0.1786 0.4596 -1.0682 0.080 Uiso 1 1 calc R . .
C11 C -0.2221(7) 0.5761(5) -1.0323(4) 0.0585(19) Uani 1 1 d . . .
H11A H -0.1688 0.5998 -1.0779 0.070 Uiso 1 1 calc R . .
C12 C -0.3636(6) 0.5917(4) -0.9092(3) 0.0465(16) Uani 1 1 d . . .
H12A H -0.4098 0.6257 -0.8683 0.056 Uiso 1 1 calc R . .
Cl1 Cl -0.0278(3) 0.43123(19) -0.74716(15) 0.0394(7) Uani 0.50 1 d P . .
Cl1' Cl -0.0159(3) 0.5257(2) -0.74867(19) 0.0493(8) Uani 0.50 1 d P . .
O11 O -0.1521(5) 0.4764(3) -0.7239(3) 0.0717(14) Uani 1 1 d . . .
O12 O 0.0968(6) 0.4815(4) -0.7725(3) 0.0802(15) Uani 1 1 d . . .
O13 O -0.0510(10) 0.5748(7) -0.8260(6) 0.074(3) Uani 0.50 1 d P . .
O14 O 0.0234(10) 0.5772(7) -0.6722(6) 0.076(3) Uani 0.50 1 d P . .
O15 O -0.0805(11) 0.3796(6) -0.8187(6) 0.071(3) Uani 0.50 1 d P . .
O16 O 0.0381(10) 0.3830(6) -0.6761(5) 0.063(3) Uani 0.50 1 d P . .
O43 O -0.0303(9) 0.6528(6) -0.7527(5) 0.061(2) Uani 0.50 1 d P . .
O44 O 0.0180(17) 0.3033(10) -0.7572(10) 0.147(6) Uani 0.50 1 d P . .
O41 O -0.7065(12) 0.2500 -0.6690(7) 0.127(3) Uani 1 2 d S . .
O42 O -0.7193(9) 0.7500 -0.2633(5) 0.094(2) Uani 1 2 d S . .
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'
Cl Cl 0.1484 0.1585 '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'
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'
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
_geom_angle_publ_flag
O2 Cu1 O4 179.0(3) . . ?
O2 Cu1 N1 88.70(13) . 4_575 ?
O4 Cu1 N1 91.20(13) . 4_575 ?
O2 Cu1 N1 88.70(13) . . ?
O4 Cu1 N1 91.20(13) . . ?
N1 Cu1 N1 168.3(3) 4_575 . ?
O2 Cu1 O3 92.5(3) . . ?
O4 Cu1 O3 88.5(2) . . ?
N1 Cu1 O3 95.76(13) 4_575 . ?
N1 Cu1 O3 95.76(13) . . ?
O7 Cu2 O5 175.9(3) . . ?
O7 Cu2 N4 88.21(13) . 4_575 ?
O5 Cu2 N4 91.45(13) . 4_575 ?
O7 Cu2 N4 88.21(13) . . ?
O5 Cu2 N4 91.45(13) . . ?
N4 Cu2 N4 169.7(2) 4_575 . ?
O7 Cu2 O6 94.2(3) . . ?
O5 Cu2 O6 89.9(3) . . ?
N4 Cu2 O6 94.93(13) 4_575 . ?
N4 Cu2 O6 94.93(13) . . ?
O21 Cl2 O22 113.2(6) . 4_575 ?
O21 Cl2 O22 113.2(6) . . ?
O22 Cl2 O22 126.3(8) 4_575 . ?
O21 Cl2 O23 87.3(14) . . ?
O22 Cl2 O23 103.8(7) 4_575 . ?
O22 Cl2 O23 103.8(7) . . ?
O31 Cl3 O33 110.9(5) . . ?
O31 Cl3 O33 110.9(5) . 4_575 ?
O33 Cl3 O33 117.9(6) . 4_575 ?
O31 Cl3 O32 94.3(10) . . ?
O33 Cl3 O32 110.2(5) . . ?
O33 Cl3 O32 110.2(5) 4_575 . ?
C7 O1 C6 102.6(5) . . ?
C5 N1 C1 116.5(5) . . ?
C5 N1 Cu1 121.1(4) . . ?
C1 N1 Cu1 122.4(4) . . ?
C6 N2 N3 106.2(5) . . ?
C7 N3 N2 106.8(5) . . ?
C12 N4 C11 117.9(7) . . ?
C12 N4 Cu2 119.9(4) . . ?
C11 N4 Cu2 122.1(5) . . ?
C2 C1 N1 123.6(6) . . ?
C2 C1 H1A 118.2 . . ?
N1 C1 H1A 118.2 . . ?
C1 C2 C3 119.6(6) . . ?
C1 C2 H2A 120.2 . . ?
C3 C2 H2A 120.2 . . ?
C2 C3 C4 118.9(6) . . ?
C2 C3 H3A 120.5 . . ?
C4 C3 H3A 120.5 . . ?
C3 C4 C5 118.1(5) . . ?
C3 C4 C6 121.5(6) . . ?
C5 C4 C6 120.4(5) . . ?
N1 C5 C4 123.3(5) . . ?
N1 C5 H5A 118.4 . . ?
C4 C5 H5A 118.4 . . ?
N2 C6 O1 112.5(5) . . ?
N2 C6 C4 129.1(6) . . ?
O1 C6 C4 118.4(5) . . ?
N3 C7 O1 111.9(5) . . ?
N3 C7 C8 130.0(6) . . ?
O1 C7 C8 118.1(6) . . ?
C12 C8 C9 119.6(6) . . ?
C12 C8 C7 120.2(5) . . ?
C9 C8 C7 120.2(6) . . ?
C10 C9 C8 117.7(7) . . ?
C10 C9 H9A 121.2 . . ?
C8 C9 H9A 121.2 . . ?
C11 C10 C9 119.3(6) . . ?
C11 C10 H10A 120.3 . . ?
C9 C10 H10A 120.3 . . ?
N4 C11 C10 123.3(6) . . ?
N4 C11 H11A 118.4 . . ?
C10 C11 H11A 118.3 . . ?
N4 C12 C8 122.2(6) . . ?
N4 C12 H12A 118.9 . . ?
C8 C12 H12A 118.9 . . ?
O11 Cl1 O16 113.6(4) . . ?
O11 Cl1 O15 106.1(5) . . ?
O16 Cl1 O15 110.0(6) . . ?
O11 Cl1 O12 113.0(4) . . ?
O16 Cl1 O12 103.2(5) . . ?
O15 Cl1 O12 111.0(5) . . ?
O11 Cl1 Cl1' 61.8(3) . . ?
O16 Cl1 Cl1' 122.5(5) . . ?
O15 Cl1 Cl1' 126.7(5) . . ?
O12 Cl1 Cl1' 51.3(2) . . ?
O11 Cl1 O44 134.1(5) . . ?
O16 Cl1 O44 56.1(6) . . ?
O15 Cl1 O44 54.7(6) . . ?
O12 Cl1 O44 112.8(5) . . ?
Cl1' Cl1 O44 164.1(4) . . ?
O12 Cl1' O13 102.7(5) . . ?
O12 Cl1' O14 112.9(5) . . ?
O13 Cl1' O14 110.6(8) . . ?
O12 Cl1' O11 113.9(4) . . ?
O13 Cl1' O11 111.1(5) . . ?
O14 Cl1' O11 105.6(5) . . ?
O12 Cl1' Cl1 60.2(3) . . ?
O13 Cl1' Cl1 123.9(5) . . ?
O14 Cl1' Cl1 125.4(5) . . ?
O11 Cl1' Cl1 53.8(2) . . ?
O12 Cl1' O43 126.4(4) . . ?
O13 Cl1' O43 53.8(5) . . ?
O14 Cl1' O43 57.1(5) . . ?
O11 Cl1' O43 119.4(4) . . ?
Cl1 Cl1' O43 172.6(3) . . ?
Cl1 O11 Cl1' 64.4(3) . . ?
Cl1' O12 Cl1 68.6(3) . . ?
Cl1' O13 O43 83.0(5) . . ?
Cl1' O14 O43 79.5(5) . . ?
Cl1 O15 O44 83.7(7) . . ?
Cl1 O16 O44 82.4(7) . . ?
O13 O43 O14 86.4(6) . . ?
O13 O43 Cl1' 43.2(4) . . ?
O14 O43 Cl1' 43.4(4) . . ?
O44 O44 O15 135.3(6) 4_565 . ?
O44 O44 O16 136.7(6) 4_565 . ?
O15 O44 O16 82.6(8) . . ?
O44 O44 Cl1 168.1(4) 4_565 . ?
O15 O44 Cl1 41.6(5) . . ?
O16 O44 Cl1 41.5(4) . . ?
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 O2 1.979(6) . ?
Cu1 O4 1.987(5) . ?
Cu1 N1 1.999(5) 4_575 ?
Cu1 N1 1.999(5) . ?
Cu1 O3 2.281(6) . ?
Cu2 O7 1.990(6) . ?
Cu2 O5 1.999(5) . ?
Cu2 N4 2.011(6) 4_575 ?
Cu2 N4 2.011(6) . ?
Cu2 O6 2.235(6) . ?
Cl2 O21 1.287(9) . ?
Cl2 O22 1.322(8) 4_575 ?
Cl2 O22 1.322(8) . ?
Cl2 O23 1.36(2) . ?
Cl3 O31 1.353(8) . ?
Cl3 O33 1.375(8) . ?
Cl3 O33 1.375(8) 4_575 ?
Cl3 O32 1.370(14) . ?
O1 C7 1.359(7) . ?
O1 C6 1.359(7) . ?
N1 C5 1.327(7) . ?
N1 C1 1.349(7) . ?
N2 C6 1.275(7) . ?
N2 N3 1.397(7) . ?
N3 C7 1.278(8) . ?
N4 C12 1.331(7) . ?
N4 C11 1.339(8) . ?
C1 C2 1.347(9) . ?
C1 H1A 0.9300 . ?
C2 C3 1.355(8) . ?
C2 H2A 0.9300 . ?
C3 C4 1.381(8) . ?
C3 H3A 0.9300 . ?
C4 C5 1.383(8) . ?
C4 C6 1.461(8) . ?
C5 H5A 0.9300 . ?
C7 C8 1.460(8) . ?
C8 C12 1.374(9) . ?
C8 C9 1.395(8) . ?
C9 C10 1.372(9) . ?
C9 H9A 0.9300 . ?
C10 C11 1.365(10) . ?
C10 H10A 0.9300 . ?
C11 H11A 0.9300 . ?
C12 H12A 0.9300 . ?
Cl1 O11 1.371(5) . ?
Cl1 O16 1.414(8) . ?
Cl1 O15 1.413(9) . ?
Cl1 O12 1.428(6) . ?
Cl1 Cl1' 1.533(5) . ?
Cl1 O44 2.115(16) . ?
Cl1' O12 1.284(6) . ?
Cl1' O13 1.421(9) . ?
Cl1' O14 1.439(9) . ?
Cl1' O11 1.497(6) . ?
Cl1' O43 2.060(10) . ?
O13 O43 1.674(14) . ?
O14 O43 1.759(14) . ?
O15 O44 1.738(18) . ?
O16 O44 1.770(17) . ?
O44 O44 1.72(3) 4_565 ?
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 Cu1 N1 C5 56.9(5) . . . . ?
O4 Cu1 N1 C5 -122.1(5) . . . . ?
N1 Cu1 N1 C5 -20.3(16) 4_575 . . . ?
O3 Cu1 N1 C5 149.3(4) . . . . ?
O2 Cu1 N1 C1 -125.3(5) . . . . ?
O4 Cu1 N1 C1 55.7(5) . . . . ?
N1 Cu1 N1 C1 157.5(10) 4_575 . . . ?
O3 Cu1 N1 C1 -32.9(5) . . . . ?
C6 N2 N3 C7 1.0(6) . . . . ?
O7 Cu2 N4 C12 60.1(4) . . . . ?
O5 Cu2 N4 C12 -115.8(4) . . . . ?
N4 Cu2 N4 C12 -9.6(17) 4_575 . . . ?
O6 Cu2 N4 C12 154.1(4) . . . . ?
O7 Cu2 N4 C11 -116.5(5) . . . . ?
O5 Cu2 N4 C11 67.6(5) . . . . ?
N4 Cu2 N4 C11 173.9(12) 4_575 . . . ?
O6 Cu2 N4 C11 -22.5(5) . . . . ?
C5 N1 C1 C2 -0.3(9) . . . . ?
Cu1 N1 C1 C2 -178.2(5) . . . . ?
N1 C1 C2 C3 -0.6(11) . . . . ?
C1 C2 C3 C4 1.3(10) . . . . ?
C2 C3 C4 C5 -1.2(9) . . . . ?
C2 C3 C4 C6 -179.2(6) . . . . ?
C1 N1 C5 C4 0.4(8) . . . . ?
Cu1 N1 C5 C4 178.3(4) . . . . ?
C3 C4 C5 N1 0.3(9) . . . . ?
C6 C4 C5 N1 178.4(5) . . . . ?
N3 N2 C6 O1 -0.4(6) . . . . ?
N3 N2 C6 C4 177.7(5) . . . . ?
C7 O1 C6 N2 -0.4(6) . . . . ?
C7 O1 C6 C4 -178.7(5) . . . . ?
C3 C4 C6 N2 12.3(9) . . . . ?
C5 C4 C6 N2 -165.7(6) . . . . ?
C3 C4 C6 O1 -169.8(5) . . . . ?
C5 C4 C6 O1 12.2(8) . . . . ?
N2 N3 C7 O1 -1.3(6) . . . . ?
N2 N3 C7 C8 178.5(5) . . . . ?
C6 O1 C7 N3 1.1(6) . . . . ?
C6 O1 C7 C8 -178.8(5) . . . . ?
N3 C7 C8 C12 169.0(6) . . . . ?
O1 C7 C8 C12 -11.1(8) . . . . ?
N3 C7 C8 C9 -11.7(9) . . . . ?
O1 C7 C8 C9 168.2(5) . . . . ?
C12 C8 C9 C10 -1.1(8) . . . . ?
C7 C8 C9 C10 179.6(5) . . . . ?
C8 C9 C10 C11 1.1(9) . . . . ?
C12 N4 C11 C10 1.6(9) . . . . ?
Cu2 N4 C11 C10 178.3(5) . . . . ?
C9 C10 C11 N4 -1.4(10) . . . . ?
C11 N4 C12 C8 -1.6(8) . . . . ?
Cu2 N4 C12 C8 -178.4(4) . . . . ?
C9 C8 C12 N4 1.4(8) . . . . ?
C7 C8 C12 N4 -179.3(5) . . . . ?
O11 Cl1 Cl1' O12 -178.1(4) . . . . ?
O16 Cl1 Cl1' O12 80.6(5) . . . . ?
O15 Cl1 Cl1' O12 -88.5(6) . . . . ?
O44 Cl1 Cl1' O12 1.0(18) . . . . ?
O11 Cl1 Cl1' O13 -92.7(6) . . . . ?
O16 Cl1 Cl1' O13 166.0(7) . . . . ?
O15 Cl1 Cl1' O13 -3.1(8) . . . . ?
O12 Cl1 Cl1' O13 85.4(6) . . . . ?
O44 Cl1 Cl1' O13 86.4(18) . . . . ?
O11 Cl1 Cl1' O14 83.7(5) . . . . ?
O16 Cl1 Cl1' O14 -17.6(7) . . . . ?
O15 Cl1 Cl1' O14 173.2(7) . . . . ?
O12 Cl1 Cl1' O14 -98.3(6) . . . . ?
O44 Cl1 Cl1' O14 -97.2(18) . . . . ?
O16 Cl1 Cl1' O11 -101.3(5) . . . . ?
O15 Cl1 Cl1' O11 89.6(6) . . . . ?
O12 Cl1 Cl1' O11 178.1(4) . . . . ?
O44 Cl1 Cl1' O11 179.1(18) . . . . ?
O11 Cl1 Cl1' O43 -24(2) . . . . ?
O16 Cl1 Cl1' O43 -125(2) . . . . ?
O15 Cl1 Cl1' O43 66(3) . . . . ?
O12 Cl1 Cl1' O43 155(2) . . . . ?
O44 Cl1 Cl1' O43 156(3) . . . . ?
O16 Cl1 O11 Cl1' 115.5(5) . . . . ?
O15 Cl1 O11 Cl1' -123.5(5) . . . . ?
O12 Cl1 O11 Cl1' -1.6(3) . . . . ?
O44 Cl1 O11 Cl1' -179.7(7) . . . . ?
O12 Cl1' O11 Cl1 1.8(4) . . . . ?
O13 Cl1' O11 Cl1 117.3(6) . . . . ?
O14 Cl1' O11 Cl1 -122.7(5) . . . . ?
O43 Cl1' O11 Cl1 176.6(4) . . . . ?
O13 Cl1' O12 Cl1 -122.0(5) . . . . ?
O14 Cl1' O12 Cl1 118.8(6) . . . . ?
O11 Cl1' O12 Cl1 -1.7(3) . . . . ?
O43 Cl1' O12 Cl1 -176.1(4) . . . . ?
O11 Cl1 O12 Cl1' 1.9(4) . . . . ?
O16 Cl1 O12 Cl1' -121.2(5) . . . . ?
O15 Cl1 O12 Cl1' 120.9(5) . . . . ?
O44 Cl1 O12 Cl1' -179.7(5) . . . . ?
O12 Cl1' O13 O43 -126.2(5) . . . . ?
O14 Cl1' O13 O43 -5.4(6) . . . . ?
O11 Cl1' O13 O43 111.6(5) . . . . ?
Cl1 Cl1' O13 O43 171.4(4) . . . . ?
O12 Cl1' O14 O43 119.6(5) . . . . ?
O13 Cl1' O14 O43 5.2(6) . . . . ?
O11 Cl1' O14 O43 -115.2(5) . . . . ?
Cl1 Cl1' O14 O43 -171.6(4) . . . . ?
O11 Cl1 O15 O44 -133.1(6) . . . . ?
O16 Cl1 O15 O44 -9.8(7) . . . . ?
O12 Cl1 O15 O44 103.8(6) . . . . ?
Cl1' Cl1 O15 O44 160.4(5) . . . . ?
O11 Cl1 O16 O44 128.5(6) . . . . ?
O15 Cl1 O16 O44 9.7(7) . . . . ?
O12 Cl1 O16 O44 -108.8(6) . . . . ?
Cl1' Cl1 O16 O44 -161.1(5) . . . . ?
Cl1' O13 O43 O14 4.1(5) . . . . ?
Cl1' O14 O43 O13 -4.1(5) . . . . ?
O12 Cl1' O43 O13 78.3(6) . . . . ?
O14 Cl1' O43 O13 174.0(7) . . . . ?
O11 Cl1' O43 O13 -95.8(6) . . . . ?
Cl1 Cl1' O43 O13 -74(2) . . . . ?
O12 Cl1' O43 O14 -95.7(6) . . . . ?
O13 Cl1' O43 O14 -174.0(7) . . . . ?
O11 Cl1' O43 O14 90.2(6) . . . . ?
Cl1 Cl1' O43 O14 112(2) . . . . ?
Cl1 O15 O44 O44 163.2(5) . . . 4_565 ?
Cl1 O15 O44 O16 7.4(6) . . . . ?
Cl1 O16 O44 O44 -162.5(6) . . . 4_565 ?
Cl1 O16 O44 O15 -7.4(6) . . . . ?
O11 Cl1 O44 O44 -3(3) . . . 4_565 ?
O16 Cl1 O44 O44 88(2) . . . 4_565 ?
O15 Cl1 O44 O44 -81(2) . . . 4_565 ?
O12 Cl1 O44 O44 178.8(19) . . . 4_565 ?
Cl1' Cl1 O44 O44 178.0(7) . . . 4_565 ?
O11 Cl1 O44 O15 77.8(8) . . . . ?
O16 Cl1 O44 O15 168.8(8) . . . . ?
O12 Cl1 O44 O15 -100.2(7) . . . . ?
Cl1' Cl1 O44 O15 -101.1(18) . . . . ?
O11 Cl1 O44 O16 -91.1(7) . . . . ?
O15 Cl1 O44 O16 -168.8(8) . . . . ?
O12 Cl1 O44 O16 90.9(6) . . . . ?
Cl1' Cl1 O44 O16 90.0(17) . . . . ?
