#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/45/4504505.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_4504505
loop_
_publ_author_name
'Song, Yu-Mei'
'Zhou, Ting'
'Wang, Xi-Sen'
'Li, Xiao-Nian'
'Xiong, Ren-Gen'
_publ_section_title
;
 Resolution of a Racemic Small Molecular Alcohol by a Chiral
 Metal−Organic Coordination Polymer through Intercalation
;
_journal_issue                   1
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              14
_journal_paper_doi               10.1021/cg050239x
_journal_volume                  6
_journal_year                    2006
_chemical_formula_sum            'C75 H78 Cl2 Cu2 N9 O9.5 P2'
_chemical_formula_weight         1517.36
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           146
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   13.7282(4)
_cell_length_b                   13.7282(4)
_cell_length_c                   32.7155(12)
_cell_measurement_reflns_used    2991
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      1.82
_cell_volume                     5339.6(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      295(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART 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  0.0521
_diffrn_reflns_av_sigmaI/netI    0.1021
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            13991
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.82
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.783
_exptl_absorpt_correction_T_max  0.8621
_exptl_absorpt_correction_T_min  0.7192
_exptl_absorpt_correction_type   'empirical used psi-scan'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2367
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.695
_refine_diff_density_min         -0.281
_refine_diff_density_rms         0.050
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     297
_refine_ls_number_reflns         5447
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.1008
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0163P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0605
_refine_ls_wR_factor_ref         0.0663
_reflns_number_gt                3246
_reflns_number_total             5447
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg050239xsi20050531_040347.cif
_cod_data_source_block           Inclusion_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Rhombohedral' changed to
'rhombohedral' 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 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      R3
_cod_original_formula_sum        'C75 H78 Cl2 Cu2 N9 O9.50 P2'
_cod_database_code               4504505
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
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 -0.23028(2) 0.0365(2) Uani 1 3 d S
Cu2 Cu 0.3333 -0.3333 -0.12380(2) 0.0379(2) Uani 1 3 d S
P1 P 0.0000 0.0000 -0.16187(5) 0.0384(4) Uani 1 3 d S
P2 P 0.3333 -0.3333 -0.05601(5) 0.0349(4) Uani 1 3 d S
N1 N -0.1328(2) -0.1455(3) -0.25767(9) 0.0397(8) Uani 1 1 d .
N2 N -0.0823(2) -0.2612(2) -0.22442(8) 0.0412(8) Uani 1 1 d .
H2A H -0.0148 -0.2051 -0.2236 0.049 Uiso 1 1 calc R
N3 N 0.1915(2) -0.3442(2) -0.15157(9) 0.0389(8) Uani 1 1 d .
C1 C -0.2063(3) -0.1337(3) -0.28110(11) 0.0499(10) Uani 1 1 d .
H1A H -0.1862 -0.0616 -0.2898 0.060 Uiso 1 1 calc R
C2 C -0.3084(4) -0.2200(4) -0.29302(13) 0.0589(12) Uani 1 1 d .
H2B H -0.3557 -0.2074 -0.3098 0.071 Uiso 1 1 calc R
C3 C -0.3390(3) -0.3264(4) -0.27938(12) 0.0627(13) Uani 1 1 d .
H3A H -0.4090 -0.3868 -0.2862 0.075 Uiso 1 1 calc R
C4 C -0.2662(3) -0.3433(3) -0.25566(12) 0.0508(10) Uani 1 1 d .
H4A H -0.2861 -0.4149 -0.2464 0.061 Uiso 1 1 calc R
C5 C -0.1617(3) -0.2509(3) -0.24569(10) 0.0350(8) Uani 1 1 d .
C6 C -0.1081(3) -0.3649(3) -0.20296(12) 0.0554(11) Uani 1 1 d .
H6A H -0.1427 -0.4278 -0.2218 0.066 Uiso 1 1 calc R
H6B H -0.1613 -0.3785 -0.1812 0.066 Uiso 1 1 calc R
C7 C -0.0027(3) -0.3572(3) -0.18520(13) 0.0472(11) Uani 1 1 d .
C8 C 0.0981(3) -0.3115(3) -0.20639(12) 0.0514(11) Uani 1 1 d .
H8A H 0.1032 -0.2837 -0.2327 0.062 Uiso 1 1 calc R
C9 C 0.1894(3) -0.3074(3) -0.18866(12) 0.0487(11) Uani 1 1 d .
H9A H 0.2556 -0.2763 -0.2038 0.058 Uiso 1 1 calc R
C10 C -0.0027(3) -0.3964(3) -0.14713(12) 0.0503(11) Uani 1 1 d .
H10A H -0.0682 -0.4284 -0.1316 0.060 Uiso 1 1 calc R
C11 C 0.0934(3) -0.3892(3) -0.13135(11) 0.0491(10) Uani 1 1 d .
H11A H 0.0903 -0.4171 -0.1052 0.059 Uiso 1 1 calc R
C12 C 0.1304(3) 0.0232(3) -0.13864(12) 0.0423(10) Uani 1 1 d .
C13 C 0.1797(3) 0.0924(4) -0.10468(13) 0.0659(12) Uani 1 1 d .
H13A H 0.1451 0.1286 -0.0927 0.079 Uiso 1 1 calc R
C14 C 0.2792(4) 0.1074(4) -0.08887(14) 0.0835(15) Uani 1 1 d .
H14A H 0.3116 0.1530 -0.0661 0.100 Uiso 1 1 calc R
C15 C 0.3311(4) 0.0531(4) -0.10736(16) 0.0786(16) Uani 1 1 d .
H15A H 0.3984 0.0628 -0.0969 0.094 Uiso 1 1 calc R
C16 C 0.2838(4) -0.0131(4) -0.14026(15) 0.0696(14) Uani 1 1 d .
H16A H 0.3197 -0.0472 -0.1530 0.083 Uiso 1 1 calc R
C17 C 0.1830(4) -0.0303(3) -0.15498(14) 0.0539(12) Uani 1 1 d .
H17A H 0.1493 -0.0797 -0.1767 0.065 Uiso 1 1 calc R
C18 C 0.3010(3) -0.4669(3) -0.03291(11) 0.0374(9) Uani 1 1 d .
C19 C 0.3594(4) -0.4778(3) -0.00163(14) 0.0749(14) Uani 1 1 d .
H19A H 0.4201 -0.4142 0.0096 0.090 Uiso 1 1 calc R
C20 C 0.3296(4) -0.5835(4) 0.01383(17) 0.101(2) Uani 1 1 d .
H20A H 0.3698 -0.5898 0.0355 0.122 Uiso 1 1 calc R
C21 C 0.2431(4) -0.6765(4) -0.00231(15) 0.0730(14) Uani 1 1 d .
H21A H 0.2248 -0.7470 0.0078 0.088 Uiso 1 1 calc R
C22 C 0.1828(4) -0.6677(3) -0.03314(13) 0.0607(11) Uani 1 1 d .
H22A H 0.1216 -0.7319 -0.0439 0.073 Uiso 1 1 calc R
C23 C 0.2121(3) -0.5641(3) -0.04855(12) 0.0551(11) Uani 1 1 d .
H23A H 0.1709 -0.5589 -0.0702 0.066 Uiso 1 1 calc R
Cl1 Cl 0.3333 -0.3333 0.13751(9) 0.0979(10) Uani 1 3 d S
Cl2 Cl 0.0000 0.0000 0.02503(9) 0.0677(5) Uani 1 3 d S
O1 O 0.3038(8) -0.2571(8) 0.1523(4) 0.050(3) Uiso 0.33 1 d P
O2 O 0.2976(7) -0.2565(7) 0.1314(3) 0.054(3) Uiso 0.33 1 d P
O3 O 0.3138(13) -0.2612(12) 0.1719(4) 0.130(6) Uiso 0.33 1 d P
O4 O 0.3054(14) -0.2945(14) 0.0986(5) 0.156(6) Uiso 0.33 1 d P
O5 O -0.0267(9) 0.0802(9) 0.0091(4) 0.075(4) Uiso 0.33 1 d P
O6 O -0.0308(10) 0.0703(10) 0.0425(4) 0.094(3) Uiso 0.33 1 d P
O7 O 0.0441(14) 0.0834(11) 0.0578(4) 0.132(5) Uiso 0.33 1 d P
O8 O -0.0328(14) 0.0560(14) -0.0074(5) 0.104(5) Uiso 0.33 1 d P
O9 O -0.0948(18) -0.024(2) -0.4216(8) 0.404(15) Uiso 0.50 1 d P
C24 C -0.1179(13) 0.0692(13) -0.3721(5) 0.375(9) Uiso 1 1 d .
C25 C -0.0650(14) 0.007(2) -0.3865(5) 0.325(9) 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'
P P 0.1023 0.0942 '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'
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
N1 Cu1 N1 103.35(10) . 2
N1 Cu1 N1 103.35(10) . 3
N1 Cu1 N1 103.35(10) 2 3
N1 Cu1 P1 115.06(8) . .
N1 Cu1 P1 115.06(8) 2 .
N1 Cu1 P1 115.06(8) 3 .
N3 Cu2 N3 102.44(11) . 3_655
N3 Cu2 N3 102.44(11) . 2_545
N3 Cu2 N3 102.44(11) 3_655 2_545
N3 Cu2 P2 115.82(9) . .
N3 Cu2 P2 115.82(9) 3_655 .
N3 Cu2 P2 115.82(9) 2_545 .
C12 P1 C12 103.79(16) . 3
C12 P1 C12 103.79(16) . 2
C12 P1 C12 103.79(16) 3 2
C12 P1 Cu1 114.68(14) . .
C12 P1 Cu1 114.68(14) 3 .
C12 P1 Cu1 114.68(14) 2 .
C18 P2 C18 103.97(14) 3_655 2_545
C18 P2 C18 103.97(14) 3_655 .
C18 P2 C18 103.97(14) 2_545 .
C18 P2 Cu2 114.53(12) 3_655 .
C18 P2 Cu2 114.53(12) 2_545 .
C18 P2 Cu2 114.53(12) . .
C1 N1 C5 117.3(3) . .
C1 N1 Cu1 118.3(3) . .
C5 N1 Cu1 122.7(2) . .
C5 N2 C6 122.1(3) . .
C9 N3 C11 114.9(3) . .
C9 N3 Cu2 124.8(3) . .
C11 N3 Cu2 120.3(2) . .
N1 C1 C2 124.6(4) . .
C1 C2 C3 117.7(4) . .
C4 C3 C2 120.0(4) . .
C3 C4 C5 118.8(4) . .
N1 C5 N2 116.0(3) . .
N1 C5 C4 121.5(3) . .
N2 C5 C4 122.5(3) . .
N2 C6 C7 111.0(3) . .
C10 C7 C8 116.1(4) . .
C10 C7 C6 121.0(4) . .
C8 C7 C6 122.9(4) . .
C9 C8 C7 119.9(4) . .
N3 C9 C8 125.0(4) . .
C7 C10 C11 120.5(4) . .
N3 C11 C10 123.7(3) . .
C17 C12 C13 117.9(4) . .
C17 C12 P1 118.6(3) . .
C13 C12 P1 123.5(3) . .
C14 C13 C12 120.6(4) . .
C13 C14 C15 119.3(4) . .
C16 C15 C14 120.2(4) . .
C15 C16 C17 120.1(5) . .
C16 C17 C12 121.9(4) . .
C19 C18 C23 117.4(4) . .
C19 C18 P2 124.5(3) . .
C23 C18 P2 118.2(3) . .
C18 C19 C20 120.6(4) . .
C21 C20 C19 120.6(4) . .
C20 C21 C22 119.9(4) . .
C21 C22 C23 119.7(4) . .
C22 C23 C18 121.8(4) . .
O2 Cl1 O2 117.9(2) . 2_545
O2 Cl1 O2 117.9(2) . 3_655
O2 Cl1 O2 117.9(2) 2_545 3_655
O2 Cl1 O1 28.8(5) . .
O2 Cl1 O1 123.2(7) 2_545 .
O2 Cl1 O1 118.7(7) 3_655 .
O2 Cl1 O1 118.7(7) . 2_545
O2 Cl1 O1 28.8(5) 2_545 2_545
O2 Cl1 O1 123.2(7) 3_655 2_545
O1 Cl1 O1 108.5(6) . 2_545
O2 Cl1 O1 123.2(7) . 3_655
O2 Cl1 O1 118.7(7) 2_545 3_655
O2 Cl1 O1 28.8(5) 3_655 3_655
O1 Cl1 O1 108.5(6) . 3_655
O1 Cl1 O1 108.5(6) 2_545 3_655
O2 Cl1 O4 49.9(5) . .
O2 Cl1 O4 95.0(9) 2_545 .
O2 Cl1 O4 101.0(8) 3_655 .
O1 Cl1 O4 78.7(7) . .
O1 Cl1 O4 118.3(9) 2_545 .
O1 Cl1 O4 127.5(8) 3_655 .
O2 Cl1 O4 101.0(8) . 2_545
O2 Cl1 O4 49.9(5) 2_545 2_545
O2 Cl1 O4 95.0(9) 3_655 2_545
O1 Cl1 O4 127.5(8) . 2_545
O1 Cl1 O4 78.7(7) 2_545 2_545
O1 Cl1 O4 118.3(9) 3_655 2_545
O4 Cl1 O4 54.8(8) . 2_545
O2 Cl1 O4 95.0(9) . 3_655
O2 Cl1 O4 101.0(8) 2_545 3_655
O2 Cl1 O4 49.9(5) 3_655 3_655
O1 Cl1 O4 118.3(9) . 3_655
O1 Cl1 O4 127.5(8) 2_545 3_655
O1 Cl1 O4 78.7(7) 3_655 3_655
O4 Cl1 O4 54.8(8) . 3_655
O4 Cl1 O4 54.8(8) 2_545 3_655
O2 Cl1 O3 53.1(6) . .
O2 Cl1 O3 121.4(6) 2_545 .
O2 Cl1 O3 112.6(6) 3_655 .
O1 Cl1 O3 24.3(6) . .
O1 Cl1 O3 97.5(8) 2_545 .
O1 Cl1 O3 92.8(9) 3_655 .
O4 Cl1 O3 102.9(7) . .
O4 Cl1 O3 148.4(9) 2_545 .
O4 Cl1 O3 134.8(9) 3_655 .
O2 Cl1 O3 112.6(6) . 2_545
O2 Cl1 O3 53.1(6) 2_545 2_545
O2 Cl1 O3 121.4(6) 3_655 2_545
O1 Cl1 O3 92.8(9) . 2_545
O1 Cl1 O3 24.3(6) 2_545 2_545
O1 Cl1 O3 97.5(8) 3_655 2_545
O4 Cl1 O3 134.8(9) . 2_545
O4 Cl1 O3 102.9(7) 2_545 2_545
O4 Cl1 O3 148.4(9) 3_655 2_545
O3 Cl1 O3 76.4(8) . 2_545
O2 Cl1 O3 121.4(6) . 3_655
O2 Cl1 O3 112.6(6) 2_545 3_655
O2 Cl1 O3 53.1(6) 3_655 3_655
O1 Cl1 O3 97.5(8) . 3_655
O1 Cl1 O3 92.8(9) 2_545 3_655
O1 Cl1 O3 24.3(6) 3_655 3_655
O4 Cl1 O3 148.4(9) . 3_655
O4 Cl1 O3 134.8(9) 2_545 3_655
O4 Cl1 O3 102.9(7) 3_655 3_655
O3 Cl1 O3 76.4(8) . 3_655
O3 Cl1 O3 76.4(8) 2_545 3_655
O6 Cl2 O6 103.6(7) 3 2
O6 Cl2 O6 103.6(7) 3 .
O6 Cl2 O6 103.6(7) 2 .
O6 Cl2 O5 128.2(7) 3 2
O6 Cl2 O5 46.4(5) 2 2
O6 Cl2 O5 122.2(7) . 2
O6 Cl2 O5 46.4(5) 3 3
O6 Cl2 O5 122.2(7) 2 3
O6 Cl2 O5 128.2(7) . 3
O5 Cl2 O5 107.4(6) 2 3
O6 Cl2 O5 122.2(7) 3 .
O6 Cl2 O5 128.2(7) 2 .
O6 Cl2 O5 46.4(5) . .
O5 Cl2 O5 107.4(6) 2 .
O5 Cl2 O5 107.4(6) 3 .
O6 Cl2 O7 59.3(8) 3 .
O6 Cl2 O7 107.2(7) 2 .
O6 Cl2 O7 44.6(7) . .
O5 Cl2 O7 151.7(8) 2 .
O5 Cl2 O7 95.5(9) 3 .
O5 Cl2 O7 80.1(8) . .
O6 Cl2 O7 44.6(7) 3 3
O6 Cl2 O7 59.3(8) 2 3
O6 Cl2 O7 107.2(7) . 3
O5 Cl2 O7 95.5(9) 2 3
O5 Cl2 O7 80.1(8) 3 3
O5 Cl2 O7 151.7(8) . 3
O7 Cl2 O7 72.0(8) . 3
O6 Cl2 O7 107.2(7) 3 2
O6 Cl2 O7 44.6(7) 2 2
O6 Cl2 O7 59.3(8) . 2
O5 Cl2 O7 80.1(8) 2 2
O5 Cl2 O7 151.7(8) 3 2
O5 Cl2 O7 95.5(9) . 2
O7 Cl2 O7 72.0(8) . 2
O7 Cl2 O7 72.0(8) 3 2
O6 Cl2 O8 125.2(9) 3 2
O6 Cl2 O8 69.8(7) 2 2
O6 Cl2 O8 131.2(8) . 2
O5 Cl2 O8 24.2(8) 2 2
O5 Cl2 O8 89.7(10) 3 2
O5 Cl2 O8 98.3(10) . 2
O7 Cl2 O8 174.8(11) . 2
O7 Cl2 O8 109.1(9) 3 2
O7 Cl2 O8 103.3(8) 2 2
O6 Cl2 O8 69.8(7) 3 3
O6 Cl2 O8 131.2(8) 2 3
O6 Cl2 O8 125.2(9) . 3
O5 Cl2 O8 98.3(10) 2 3
O5 Cl2 O8 24.2(8) 3 3
O5 Cl2 O8 89.7(10) . 3
O7 Cl2 O8 109.1(9) . 3
O7 Cl2 O8 103.3(8) 3 3
O7 Cl2 O8 174.8(11) 2 3
O8 Cl2 O8 75.7(9) 2 3
O6 Cl2 O8 131.2(9) 3 .
O6 Cl2 O8 125.2(9) 2 .
O6 Cl2 O8 69.8(7) . .
O5 Cl2 O8 89.7(10) 2 .
O5 Cl2 O8 98.3(10) 3 .
O5 Cl2 O8 24.2(8) . .
O7 Cl2 O8 103.3(8) . .
O7 Cl2 O8 174.8(11) 3 .
O7 Cl2 O8 109.1(9) 2 .
O8 Cl2 O8 75.7(9) 2 .
O8 Cl2 O8 75.7(9) 3 .
O3 O1 O2 172(3) . .
O3 O1 Cl1 96.9(19) . .
O2 O1 Cl1 75.3(13) . .
O1 O2 O4 146.0(18) . .
O1 O2 O3 3.9(14) . .
O4 O2 O3 142.2(11) . .
O1 O2 Cl1 75.9(12) . .
O4 O2 Cl1 70.1(8) . .
O3 O2 Cl1 72.0(7) . .
O1 O3 O2 4.1(15) . .
O1 O3 Cl1 58.8(16) . .
O2 O3 Cl1 54.9(6) . .
O2 O4 O4 117.5(10) . 2_545
O2 O4 O4 109.6(12) . 3_655
O4 O4 O4 60.000(3) 2_545 3_655
O2 O4 Cl1 60.0(8) . .
O4 O4 Cl1 62.6(4) 2_545 .
O4 O4 Cl1 62.6(4) 3_655 .
O8 O5 O6 145(3) . .
O8 O5 Cl2 86(2) . .
O6 O5 Cl2 63.7(8) . .
O7 O6 O5 117.3(15) . .
O7 O6 Cl2 72.8(11) . .
O5 O6 Cl2 69.8(9) . .
O7 O6 O7 87.0(15) . 2
O5 O6 O7 117.2(12) . 2
Cl2 O6 O7 64.1(8) . 2
O7 O6 O8 116.2(12) . .
O5 O6 O8 12.5(10) . .
Cl2 O6 O8 59.3(6) . .
O7 O6 O8 105.0(10) 2 .
O6 O7 O6 118.8(17) . 3
O6 O7 Cl2 62.6(10) . .
O6 O7 Cl2 56.7(8) 3 .
O6 O7 O7 54.3(12) . 2
O6 O7 O7 93.0(8) 3 2
Cl2 O7 O7 54.0(4) . 2
O6 O7 O7 106.5(11) . 3
O6 O7 O7 38.7(8) 3 3
Cl2 O7 O7 54.0(4) . 3
O7 O7 O7 60.000(3) 2 3
O5 O8 Cl2 70(2) . .
O5 O8 O6 22.5(19) . .
Cl2 O8 O6 50.9(6) . .
O9 C25 C24 109.5(17) . .
O9 C25 C25 87(2) . 2
C24 C25 C25 160.7(11) . 2
O9 C25 C25 105.7(13) . 3
C24 C25 C25 121(3) . 3
C25 C25 C25 60.000(11) 2 3
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N1 2.115(3) .
Cu1 N1 2.115(3) 2
Cu1 N1 2.115(3) 3
Cu1 P1 2.2381(19) .
Cu2 N3 2.086(3) .
Cu2 N3 2.086(3) 3_655
Cu2 N3 2.086(3) 2_545
Cu2 P2 2.2176(18) .
P1 C12 1.820(4) .
P1 C12 1.820(4) 3
P1 C12 1.820(4) 2
P2 C18 1.821(4) 3_655
P2 C18 1.821(4) 2_545
P2 C18 1.821(4) .
N1 C1 1.339(4) .
N1 C5 1.353(4) .
N2 C5 1.360(4) .
N2 C6 1.463(4) .
N3 C9 1.320(4) .
N3 C11 1.342(4) .
C1 C2 1.364(5) .
C2 C3 1.377(5) .
C3 C4 1.374(5) .
C4 C5 1.398(4) .
C6 C7 1.512(5) .
C7 C10 1.357(5) .
C7 C8 1.387(5) .
C8 C9 1.357(5) .
C10 C11 1.374(5) .
C12 C17 1.371(5) .
C12 C13 1.397(5) .
C13 C14 1.376(5) .
C14 C15 1.400(6) .
C15 C16 1.348(6) .
C16 C17 1.370(5) .
C18 C19 1.355(5) .
C18 C23 1.380(5) .
C19 C20 1.390(6) .
C20 C21 1.343(6) .
C21 C22 1.348(5) .
C22 C23 1.367(5) .
Cl1 O2 1.382(9) .
Cl1 O2 1.382(9) 2_545
Cl1 O2 1.382(9) 3_655
Cl1 O1 1.385(10) .
Cl1 O1 1.385(10) 2_545
Cl1 O1 1.385(10) 3_655
Cl1 O4 1.501(15) .
Cl1 O4 1.501(15) 2_545
Cl1 O4 1.501(15) 3_655
Cl1 O3 1.607(14) .
Cl1 O3 1.607(14) 2_545
Cl1 O3 1.607(14) 3_655
Cl2 O6 1.359(10) 3
Cl2 O6 1.359(10) 2
Cl2 O6 1.359(10) .
Cl2 O5 1.422(11) 2
Cl2 O5 1.422(11) 3
Cl2 O5 1.422(11) .
Cl2 O7 1.462(13) .
Cl2 O7 1.462(13) 3
Cl2 O7 1.462(13) 2
Cl2 O8 1.506(15) 2
Cl2 O8 1.506(15) 3
Cl2 O8 1.506(15) .
O1 O3 0.665(15) .
O1 O2 0.689(12) .
O2 O4 1.220(15) .
O2 O3 1.351(15) .
O4 O4 1.38(2) 2_545
O4 O4 1.38(2) 3_655
O5 O8 0.62(2) .
O5 O6 1.098(12) .
O6 O7 1.075(16) .
O6 O7 1.397(16) 2
O6 O8 1.64(2) .
O7 O6 1.397(16) 3
O7 O7 1.72(2) 2
O7 O7 1.72(2) 3
O9 C25 1.22(3) .
C24 C25 1.443(19) .
C25 C25 1.64(2) 2
C25 C25 1.64(2) 3
