#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:28:07 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179580 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/45/4504504.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_4504504
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            'C69 H63 Cl2 Cu2 N9 O8 P2'
_chemical_formula_weight         1406.20
_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                   13.7380(2)
_cell_length_b                   13.7380(2)
_cell_length_c                   32.72480(10)
_cell_measurement_temperature    293(2)
_cell_volume                     5348.78(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.1076
_diffrn_reflns_av_sigmaI/netI    0.1722
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            12768
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    0.774
_exptl_absorpt_correction_T_max  0.8732
_exptl_absorpt_correction_T_min  0.8360
_exptl_crystal_density_diffrn    1.310
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2178
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.586
_refine_diff_density_min         -0.425
_refine_diff_density_rms         0.084
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.48(2)
_refine_ls_extinction_coef       0.0050(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.928
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     291
_refine_ls_number_reflns         5712
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.928
_refine_ls_R_factor_all          0.1468
_refine_ls_R_factor_gt           0.0703
_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)+(0.0777P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1457
_refine_ls_wR_factor_ref         0.1773
_reflns_number_gt                3161
_reflns_number_total             5712
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg050239xsi20050531_040347.cif
_cod_data_source_block           Framework_1
_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 
;
_cod_original_sg_symbol_H-M      R3
_cod_database_code               4504504
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 0.3333 0.6667 0.17188(3) 0.0329(4) Uani 1 3 d S
Cu2 Cu 0.0000 1.0000 0.06529(3) 0.0312(4) Uani 1 3 d S
P1 P 0.3333 0.6667 0.23970(7) 0.0295(6) Uani 1 3 d S
P2 P 0.0000 1.0000 0.13408(8) 0.0326(7) Uani 1 3 d S
Cl1 Cl 0.0000 0.0000 0.32136(14) 0.0581(8) Uani 1 3 d S
Cl2 Cl 0.6667 0.3333 0.10005(19) 0.0851(15) Uani 1 3 d S
O1 O 0.7723(7) 0.3611(8) 0.1114(6) 0.191(6) Uani 1 1 d .
O2 O -0.0275(9) 0.0695(10) 0.2998(5) 0.195(7) Uani 1 1 d .
N1 N 0.1915(4) 0.6550(4) 0.14447(17) 0.0385(13) Uani 1 1 d .
N2 N -0.0825(4) 0.7379(4) 0.07118(16) 0.0386(12) Uani 1 1 d .
H2A H -0.0148 0.7937 0.0718 0.046 Uiso 1 1 calc R
N3 N -0.1322(4) 0.8542(4) 0.03841(15) 0.0342(12) Uani 1 1 d .
C1 C -0.2072(6) 0.8655(6) 0.0145(2) 0.0463(17) Uani 1 1 d .
H1A H -0.1875 0.9376 0.0059 0.056 Uiso 1 1 calc R
C2 C -0.3082(6) 0.7797(7) 0.0021(2) 0.055(2) Uani 1 1 d .
H2B H -0.3551 0.7917 -0.0150 0.066 Uiso 1 1 calc R
C3 C -0.3378(6) 0.6747(7) 0.0162(2) 0.063(2) Uani 1 1 d .
H3A H -0.4079 0.6142 0.0096 0.075 Uiso 1 1 calc R
C4 C -0.2655(6) 0.6575(6) 0.0399(2) 0.0503(18) Uani 1 1 d .
H4A H -0.2856 0.5858 0.0491 0.060 Uiso 1 1 calc R
C5 C -0.1614(5) 0.7491(5) 0.04998(18) 0.0314(13) Uani 1 1 d .
C6 C -0.1078(6) 0.6353(6) 0.0929(3) 0.0521(19) Uani 1 1 d .
H6A H -0.1426 0.5720 0.0742 0.063 Uiso 1 1 calc R
H6B H -0.1606 0.6222 0.1147 0.063 Uiso 1 1 calc R
C7 C -0.0022(5) 0.6436(5) 0.1106(2) 0.0379(16) Uani 1 1 d .
C8 C 0.0979(6) 0.6868(6) 0.0892(2) 0.0456(17) Uani 1 1 d .
H8A H 0.1021 0.7120 0.0625 0.055 Uiso 1 1 calc R
C9 C 0.1899(6) 0.6926(6) 0.1069(2) 0.0440(17) Uani 1 1 d .
H9A H 0.2564 0.7250 0.0920 0.053 Uiso 1 1 calc R
C10 C 0.0940(6) 0.6110(6) 0.1649(2) 0.0458(17) Uani 1 1 d .
H10A H 0.0917 0.5848 0.1913 0.055 Uiso 1 1 calc R
C11 C -0.0041(5) 0.6021(6) 0.1490(2) 0.0492(18) Uani 1 1 d .
H11A H -0.0702 0.5685 0.1642 0.059 Uiso 1 1 calc R
C12 C 0.1314(5) 1.0226(6) 0.15712(19) 0.0359(15) Uani 1 1 d .
C13 C 0.1807(7) 1.0935(7) 0.1911(2) 0.059(2) Uani 1 1 d .
H13A H 0.1467 1.1309 0.2027 0.071 Uiso 1 1 calc R
C14 C 0.2800(8) 1.1073(8) 0.2070(3) 0.079(3) Uani 1 1 d .
H14A H 0.3116 1.1519 0.2300 0.094 Uiso 1 1 calc R
C15 C 0.3318(7) 1.0551(8) 0.1889(3) 0.078(3) Uani 1 1 d .
H15A H 0.3990 1.0653 0.1996 0.094 Uiso 1 1 calc R
C16 C 0.2854(7) 0.9881(8) 0.1553(3) 0.064(2) Uani 1 1 d .
H16A H 0.3224 0.9551 0.1426 0.077 Uiso 1 1 calc R
C17 C 0.1833(6) 0.9695(6) 0.1401(2) 0.0482(18) Uani 1 1 d .
H17A H 0.1498 0.9206 0.1183 0.058 Uiso 1 1 calc R
C18 C 0.3011(5) 0.5326(5) 0.26329(19) 0.0336(14) Uani 1 1 d .
C19 C 0.2121(6) 0.4360(6) 0.2474(2) 0.0543(19) Uani 1 1 d .
H19A H 0.1713 0.4412 0.2257 0.065 Uiso 1 1 calc R
C20 C 0.1829(7) 0.3321(6) 0.2631(3) 0.061(2) Uani 1 1 d .
H20A H 0.1214 0.2682 0.2524 0.073 Uiso 1 1 calc R
C21 C 0.2411(8) 0.3219(7) 0.2933(3) 0.068(2) Uani 1 1 d .
H21A H 0.2227 0.2511 0.3031 0.081 Uiso 1 1 calc R
C22 C 0.3294(9) 0.4169(8) 0.3103(4) 0.104(4) Uani 1 1 d .
H22A H 0.3693 0.4102 0.3320 0.125 Uiso 1 1 calc R
C23 C 0.3591(8) 0.5222(7) 0.2952(3) 0.071(3) Uani 1 1 d .
H23A H 0.4188 0.5860 0.3068 0.085 Uiso 1 1 calc R
O4 O 0.638(2) 0.371(3) 0.0644(13) 0.169(16) Uani 0.33 1 d P
O3 O 0.078(2) -0.002(3) 0.3429(6) 0.148(13) Uani 0.33 1 d P
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'
Cl Cl 0.1484 0.1585 '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'
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 102.73(19) 2_665 3_565
N1 Cu1 N1 102.73(19) 2_665 .
N1 Cu1 N1 102.73(19) 3_565 .
N1 Cu1 P1 115.58(16) 2_665 .
N1 Cu1 P1 115.58(16) 3_565 .
N1 Cu1 P1 115.58(16) . .
N3 Cu2 N3 103.84(16) . 3_465
N3 Cu2 N3 103.84(16) . 2_675
N3 Cu2 N3 103.84(16) 3_465 2_675
N3 Cu2 P2 114.64(14) . .
N3 Cu2 P2 114.64(14) 3_465 .
N3 Cu2 P2 114.64(14) 2_675 .
C18 P1 C18 103.6(2) . 2_665
C18 P1 C18 103.6(2) . 3_565
C18 P1 C18 103.6(2) 2_665 3_565
C18 P1 Cu1 114.9(2) . .
C18 P1 Cu1 114.9(2) 2_665 .
C18 P1 Cu1 114.9(2) 3_565 .
C12 P2 C12 104.3(2) . 3_465
C12 P2 C12 104.3(2) . 2_675
C12 P2 C12 104.3(2) 3_465 2_675
C12 P2 Cu2 114.3(2) . .
C12 P2 Cu2 114.3(2) 3_465 .
C12 P2 Cu2 114.3(2) 2_675 .
O3 Cl1 O3 93.0(15) 2 .
O3 Cl1 O3 93.0(15) 2 3
O3 Cl1 O3 93.0(15) . 3
O3 Cl1 O2 143.7(17) 2 2
O3 Cl1 O2 116.1(16) . 2
O3 Cl1 O2 65.8(11) 3 2
O3 Cl1 O2 65.8(11) 2 .
O3 Cl1 O2 143.7(17) . .
O3 Cl1 O2 116.1(16) 3 .
O2 Cl1 O2 96.3(9) 2 .
O3 Cl1 O2 116.1(16) 2 3
O3 Cl1 O2 65.8(11) . 3
O3 Cl1 O2 143.7(17) 3 3
O2 Cl1 O2 96.3(9) 2 3
O2 Cl1 O2 96.3(9) . 3
O1 Cl2 O1 112.8(8) 2_655 3_665
O1 Cl2 O1 112.8(8) 2_655 .
O1 Cl2 O1 112.8(8) 3_665 .
O1 Cl2 O4 72.2(15) 2_655 .
O1 Cl2 O4 113.8(17) 3_665 .
O1 Cl2 O4 125.5(16) . .
O1 Cl2 O4 125.5(16) 2_655 2_655
O1 Cl2 O4 72.2(15) 3_665 2_655
O1 Cl2 O4 113.8(17) . 2_655
O4 Cl2 O4 58(3) . 2_655
O1 Cl2 O4 113.8(17) 2_655 3_665
O1 Cl2 O4 125.5(16) 3_665 3_665
O1 Cl2 O4 72.2(15) . 3_665
O4 Cl2 O4 58(3) . 3_665
O4 Cl2 O4 58(3) 2_655 3_665
Cl2 O1 O4 55.6(11) . 3_665
Cl1 O2 O3 54.1(9) . 2
C9 N1 C10 115.2(5) . .
C9 N1 Cu1 124.2(5) . .
C10 N1 Cu1 120.5(4) . .
C5 N2 C6 122.7(5) . .
C5 N3 C1 116.6(5) . .
C5 N3 Cu2 123.7(4) . .
C1 N3 Cu2 118.2(4) . .
C2 C1 N3 125.0(7) . .
C1 C2 C3 116.8(7) . .
C4 C3 C2 120.9(7) . .
C3 C4 C5 118.9(7) . .
N3 C5 N2 116.0(5) . .
N3 C5 C4 121.6(5) . .
N2 C5 C4 122.3(5) . .
N2 C6 C7 111.0(5) . .
C11 C7 C8 116.7(6) . .
C11 C7 C6 120.0(6) . .
C8 C7 C6 123.3(6) . .
C9 C8 C7 120.3(6) . .
N1 C9 C8 124.4(7) . .
N1 C10 C11 124.0(6) . .
C7 C11 C10 119.2(6) . .
C17 C12 C13 119.4(6) . .
C17 C12 P2 118.3(5) . .
C13 C12 P2 122.3(5) . .
C14 C13 C12 119.5(7) . .
C13 C14 C15 120.0(8) . .
C16 C15 C14 120.7(7) . .
C15 C16 C17 119.8(8) . .
C12 C17 C16 120.4(7) . .
C23 C18 C19 118.0(7) . .
C23 C18 P1 124.5(5) . .
C19 C18 P1 117.4(5) . .
C20 C19 C18 121.1(7) . .
C21 C20 C19 120.7(8) . .
C20 C21 C22 119.6(8) . .
C21 C22 C23 120.4(8) . .
C18 C23 C22 120.1(8) . .
O4 O4 O4 60.000(4) 2_655 3_665
O4 O4 Cl2 60.8(15) 2_655 .
O4 O4 Cl2 60.8(15) 3_665 .
O4 O4 O1 109.4(13) 2_655 2_655
O4 O4 O1 100.4(16) 3_665 2_655
Cl2 O4 O1 52.2(13) . 2_655
Cl1 O3 O2 60.2(9) . 3
Cl1 O3 O3 43.5(7) . 3
O2 O3 O3 98.8(10) 3 3
Cl1 O3 O3 43.5(7) . 2
O2 O3 O3 85.1(14) 3 2
O3 O3 O3 60.000(4) 3 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N1 2.077(5) 2_665
Cu1 N1 2.077(5) 3_565
Cu1 N1 2.077(5) .
Cu1 P1 2.219(3) .
Cu2 N3 2.109(5) .
Cu2 N3 2.109(5) 3_465
Cu2 N3 2.109(5) 2_675
Cu2 P2 2.251(3) .
P1 C18 1.835(6) .
P1 C18 1.835(6) 2_665
P1 C18 1.835(6) 3_565
P2 C12 1.834(7) .
P2 C12 1.834(7) 3_465
P2 C12 1.834(6) 2_675
Cl1 O3 1.291(17) 2
Cl1 O3 1.291(17) .
Cl1 O3 1.291(18) 3
Cl1 O2 1.383(11) 2
Cl1 O2 1.383(11) .
Cl1 O2 1.383(11) 3
Cl2 O1 1.355(8) 2_655
Cl2 O1 1.355(8) 3_665
Cl2 O1 1.355(8) .
Cl2 O4 1.41(3) .
Cl2 O4 1.41(3) 2_655
Cl2 O4 1.41(3) 3_665
O1 O4 1.63(4) 3_665
O2 O3 1.45(2) 2
N1 C9 1.337(8) .
N1 C10 1.340(8) .
N2 C5 1.359(7) .
N2 C6 1.457(8) .
N3 C5 1.345(8) .
N3 C1 1.364(8) .
C1 C2 1.357(10) .
C2 C3 1.368(11) .
C3 C4 1.371(10) .
C4 C5 1.392(9) .
C6 C7 1.511(9) .
C7 C11 1.375(9) .
C7 C8 1.385(9) .
C8 C9 1.356(9) .
C10 C11 1.392(9) .
C12 C17 1.367(10) .
C12 C13 1.408(10) .
C13 C14 1.382(11) .
C14 C15 1.372(13) .
C15 C16 1.372(13) .
C16 C17 1.386(10) .
C18 C23 1.364(9) .
C18 C19 1.379(9) .
C19 C20 1.375(10) .
C20 C21 1.323(11) .
C21 C22 1.378(13) .
C22 C23 1.383(12) .
O4 O4 1.38(6) 2_655
O4 O4 1.38(6) 3_665
O4 O1 1.63(4) 2_655
O3 O2 1.45(2) 3
O3 O3 1.87(4) 3
O3 O3 1.87(4) 2
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_4
N1 Cu1 P1 C18 -17.6(3) 2_665 .
N1 Cu1 P1 C18 -137.6(3) 3_565 .
N1 Cu1 P1 C18 102.4(3) . .
N1 Cu1 P1 C18 102.4(3) 2_665 2_665
N1 Cu1 P1 C18 -17.6(3) 3_565 2_665
N1 Cu1 P1 C18 -137.6(3) . 2_665
N1 Cu1 P1 C18 -137.6(3) 2_665 3_565
N1 Cu1 P1 C18 102.4(3) 3_565 3_565
N1 Cu1 P1 C18 -17.6(3) . 3_565
N3 Cu2 P2 C12 124.4(3) . .
N3 Cu2 P2 C12 -115.6(3) 3_465 .
N3 Cu2 P2 C12 4.4(3) 2_675 .
N3 Cu2 P2 C12 4.4(3) . 3_465
N3 Cu2 P2 C12 124.4(3) 3_465 3_465
N3 Cu2 P2 C12 -115.6(3) 2_675 3_465
N3 Cu2 P2 C12 -115.6(3) . 2_675
N3 Cu2 P2 C12 4.4(3) 3_465 2_675
N3 Cu2 P2 C12 124.4(3) 2_675 2_675
O1 Cl2 O1 O4 -108.9(18) 2_655 3_665
O1 Cl2 O1 O4 121.8(18) 3_665 3_665
O4 Cl2 O1 O4 -25(3) . 3_665
O4 Cl2 O1 O4 42(3) 2_655 3_665
O3 Cl1 O2 O3 -59(3) . 2
O3 Cl1 O2 O3 81.0(16) 3 2
O2 Cl1 O2 O3 147.0(18) 2 2
O2 Cl1 O2 O3 -116(2) 3 2
N1 Cu1 N1 C9 -78.3(5) 2_665 .
N1 Cu1 N1 C9 28.2(6) 3_565 .
P1 Cu1 N1 C9 155.0(5) . .
N1 Cu1 N1 C10 104.1(6) 2_665 .
N1 Cu1 N1 C10 -149.4(5) 3_565 .
P1 Cu1 N1 C10 -22.6(5) . .
N3 Cu2 N3 C5 -173.1(4) 3_465 .
N3 Cu2 N3 C5 78.6(6) 2_675 .
P2 Cu2 N3 C5 -47.3(5) . .
N3 Cu2 N3 C1 -7.7(5) 3_465 .
N3 Cu2 N3 C1 -116.0(4) 2_675 .
P2 Cu2 N3 C1 118.1(4) . .
C5 N3 C1 C2 0.9(10) . .
Cu2 N3 C1 C2 -165.5(6) . .
N3 C1 C2 C3 2.4(12) . .
C1 C2 C3 C4 -3.2(12) . .
C2 C3 C4 C5 0.8(12) . .
C1 N3 C5 N2 175.1(5) . .
Cu2 N3 C5 N2 -19.3(7) . .
C1 N3 C5 C4 -3.5(9) . .
Cu2 N3 C5 C4 162.1(5) . .
C6 N2 C5 N3 167.3(6) . .
C6 N2 C5 C4 -14.1(10) . .
C3 C4 C5 N3 2.7(10) . .
C3 C4 C5 N2 -175.8(7) . .
C5 N2 C6 C7 175.2(6) . .
N2 C6 C7 C11 139.4(7) . .
N2 C6 C7 C8 -43.9(9) . .
C11 C7 C8 C9 -3.6(10) . .
C6 C7 C8 C9 179.5(7) . .
C10 N1 C9 C8 -1.2(11) . .
Cu1 N1 C9 C8 -178.9(6) . .
C7 C8 C9 N1 2.6(12) . .
C9 N1 C10 C11 1.0(10) . .
Cu1 N1 C10 C11 178.8(6) . .
C8 C7 C11 C10 3.4(10) . .
C6 C7 C11 C10 -179.7(7) . .
N1 C10 C11 C7 -2.2(11) . .
C12 P2 C12 C17 84.0(7) 3_465 .
C12 P2 C12 C17 -166.9(6) 2_675 .
Cu2 P2 C12 C17 -41.5(6) . .
C12 P2 C12 C13 -96.9(5) 3_465 .
C12 P2 C12 C13 12.2(7) 2_675 .
Cu2 P2 C12 C13 137.6(5) . .
C17 C12 C13 C14 -0.8(11) . .
P2 C12 C13 C14 -179.9(6) . .
C12 C13 C14 C15 2.3(13) . .
C13 C14 C15 C16 -0.7(15) . .
C14 C15 C16 C17 -2.3(14) . .
C13 C12 C17 C16 -2.2(11) . .
P2 C12 C17 C16 176.9(6) . .
C15 C16 C17 C12 3.7(12) . .
C18 P1 C18 C23 8.7(8) 2_665 .
C18 P1 C18 C23 -99.1(6) 3_565 .
Cu1 P1 C18 C23 134.8(7) . .
C18 P1 C18 C19 -171.0(5) 2_665 .
C18 P1 C18 C19 81.2(7) 3_565 .
Cu1 P1 C18 C19 -44.9(6) . .
C23 C18 C19 C20 -0.2(12) . .
P1 C18 C19 C20 179.6(6) . .
C18 C19 C20 C21 -1.6(13) . .
C19 C20 C21 C22 2.6(14) . .
C20 C21 C22 C23 -1.8(17) . .
C19 C18 C23 C22 1.0(13) . .
P1 C18 C23 C22 -178.7(8) . .
C21 C22 C23 C18 0.0(17) . .
O1 Cl2 O4 O4 -156(2) 2_655 2_655
O1 Cl2 O4 O4 -48(2) 3_665 2_655
O1 Cl2 O4 O4 98(3) . 2_655
O4 Cl2 O4 O4 69.9(11) 3_665 2_655
O1 Cl2 O4 O4 134(2) 2_655 3_665
O1 Cl2 O4 O4 -118(2) 3_665 3_665
O1 Cl2 O4 O4 28(3) . 3_665
O4 Cl2 O4 O4 -69.9(11) 2_655 3_665
O1 Cl2 O4 O1 107.7(13) 3_665 2_655
O1 Cl2 O4 O1 -105.7(16) . 2_655
O4 Cl2 O4 O1 156(3) 2_655 2_655
O4 Cl2 O4 O1 -134(2) 3_665 2_655
O3 Cl1 O3 O2 -117.4(19) 2 3
O3 Cl1 O3 O2 149(2) 3 3
O2 Cl1 O3 O2 85.0(17) 2 3
O2 Cl1 O3 O2 -66(2) . 3
O3 Cl1 O3 O3 93.2(16) 2 3
O2 Cl1 O3 O3 -64.4(10) 2 3
O2 Cl1 O3 O3 145(3) . 3
O2 Cl1 O3 O3 -149(2) 3 3
O3 Cl1 O3 O3 -93.2(16) 3 2
O2 Cl1 O3 O3 -157.6(17) 2 2
O2 Cl1 O3 O3 51.5(19) . 2
O2 Cl1 O3 O3 117.4(19) 3 2
