#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:48:54 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179541 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/10/4501046.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_4501046
loop_
_publ_author_name
'Janssen, Femke F. B. J.'
'Veraart, Laurens P. J.'
'Smits, Jan M. M.'
'de Gelder, René'
'Rowan, Alan E.'
_publ_contact_author
;
        Prof.dr. A.E. Rowan
        Radboud University Nijmegen
        Molecular Materials
        Institute for Molecules and Materials
        Heyendaalseweg 135
        6525 AJ Nijmegen
        The Netherlands
;
_publ_section_title
;
 1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and
 Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers
;
_journal_issue                   10
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4313
_journal_paper_doi               10.1021/cg2006502
_journal_volume                  11
_journal_year                    2011
_chemical_formula_sum            'C58 H62 Cl Cu N2 O7 P2'
_chemical_formula_weight         1060.03
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2006-07-27
_audit_creation_method           'SHELXL, adapted and expanded'
_cell_angle_alpha                90.00
_cell_angle_beta                 120.536(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.3365(10)
_cell_length_b                   18.757(3)
_cell_length_c                   22.7858(19)
_cell_measurement_reflns_used    914
_cell_measurement_temperature    208(2)
_cell_measurement_theta_max      27.500
_cell_measurement_theta_min      2.080
_cell_volume                     5277.5(11)
_computing_data_collection
;
Nonius "Collect" program suite (Nonius, 1999)
;
_computing_data_reduction
;
Nonius "EvalCCD" program suite (Duisenberg, 1998)
;
_computing_molecular_graphics
;
PLATON (Spek, 2003)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
;
DIRDIF (Beurskens et al., 1996),
PATTY (Beurskens et al., 1987)
;
_diffrn_ambient_temperature      208(2)
_diffrn_detector_area_resol_mean 18.4
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device       'Nonius KappaCCD'
_diffrn_measurement_method       'area detector φ and ω scan'
_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  0.0528
_diffrn_reflns_av_sigmaI/netI    0.0538
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            89572
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.08
_diffrn_standards_decay_%        0.000
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.580
_exptl_absorpt_correction_T_max  0.906
_exptl_absorpt_correction_T_min  0.809
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS multiscan (Sheldrick, 1996)'
_exptl_crystal_colour            'translucent colourless'
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rough fragment'
_exptl_crystal_F_000             2224
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.100
_refine_diff_density_min         -0.812
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.055
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     611
_refine_ls_number_reflns         12056
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.1134
_refine_ls_R_factor_gt           0.0732
_refine_ls_R_factor_obs          0.0732
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
w=1/[σ²(Fo²)+(0.0752P)²+12.7766P] where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1881
_refine_ls_wR_factor_gt          0.1677
_refine_ls_wR_factor_obs         0.1677
_refine_ls_wR_factor_ref         0.1881
_reflns_number_gt                8307
_reflns_number_observed          8307
_reflns_number_total             12056
_reflns_observed_criterion       >2sigma(I)
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg2006502_si_001.cif
_cod_data_source_block           LVER17
_cod_depositor_comments
;
The following automatic conversions were performed:
'_publ_contact_autor' tag replaced with '_publ_contact_author'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (80
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (107 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        5277.5(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4501046
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_calc_flag
_atom_site_refinement_flags
Cu1 Cu 0.38673(4) -0.06342(2) -0.26862(2) 0.02272(13) Uani 1 d .
P1 P 0.43181(8) -0.03928(5) -0.15957(5) 0.0248(2) Uani 1 d .
P2 P 0.22831(8) -0.03423(5) -0.36328(5) 0.0248(2) Uani 1 d .
N1 N 0.3962(3) -0.17446(16) -0.26879(16) 0.0259(7) Uani 1 d .
N2 N 0.5021(3) -0.01180(16) -0.28353(16) 0.0271(7) Uani 1 d .
C1 C 0.4855(3) -0.2121(2) -0.2530(2) 0.0284(8) Uani 1 d .
H1 H 0.5446 -0.1882 -0.2512 0.034 Uiso 1 calc R
C2 C 0.4946(3) -0.2842(2) -0.2394(2) 0.0295(9) Uani 1 d .
H2 H 0.5583 -0.3086 -0.2294 0.035 Uiso 1 calc R
C3 C 0.4098(3) -0.32070(19) -0.24046(19) 0.0246(8) Uani 1 d .
C4 C 0.3164(3) -0.2822(2) -0.2583(2) 0.0303(9) Uani 1 d .
H4 H 0.2559 -0.3049 -0.2610 0.036 Uiso 1 calc R
C5 C 0.3130(3) -0.2104(2) -0.2719(2) 0.0305(9) Uani 1 d .
H5 H 0.2490 -0.1853 -0.2841 0.037 Uiso 1 calc R
C6 C 0.4191(3) -0.39693(19) -0.22134(19) 0.0253(8) Uani 1 d .
C7 C 0.5181(3) 0.05717(19) -0.26544(19) 0.0259(8) Uani 1 d .
H7 H 0.4846 0.0755 -0.2423 0.031 Uiso 1 calc R
C8 C 0.5523(4) -0.0370(2) -0.3147(2) 0.0361(10) Uani 1 d .
H8 H 0.5423 -0.0852 -0.3280 0.043 Uiso 1 calc R
C9 C 0.6179(5) 0.0039(2) -0.3285(3) 0.0514(14) Uani 1 d .
H9 H 0.6528 -0.0164 -0.3500 0.062 Uiso 1 calc R
C10 C 0.3670(4) -0.4248(2) -0.1892(3) 0.0435(12) Uani 1 d .
H10 H 0.3227 -0.3959 -0.1797 0.052 Uiso 1 calc R
C11A C 0.3435(3) -0.0805(2) -0.13328(19) 0.0286(8) Uani 1 d .
C11B C 0.5650(3) -0.0723(2) -0.0961(2) 0.0295(9) Uani 1 d .
C11C C 0.4329(3) 0.0554(2) -0.1416(2) 0.0294(9) Uani 1 d .
C12A C 0.3439(4) -0.1543(2) -0.1292(2) 0.0351(9) Uani 1 d .
H12A H 0.3954 -0.1805 -0.1341 0.042 Uiso 1 calc R
C12B C 0.5924(4) -0.0862(2) -0.0295(2) 0.0380(10) Uani 1 d .
H12B H 0.5420 -0.0771 -0.0156 0.046 Uiso 1 calc R
C12C C 0.5184(4) 0.0896(2) -0.0863(2) 0.0400(10) Uani 1 d .
H12C H 0.5781 0.0632 -0.0538 0.048 Uiso 1 calc R
C13A C 0.2702(4) -0.1898(3) -0.1182(2) 0.0463(12) Uani 1 d .
H13A H 0.2717 -0.2399 -0.1156 0.056 Uiso 1 calc R
C13B C 0.6939(4) -0.1137(3) 0.0169(2) 0.0472(12) Uani 1 d .
H13B H 0.7118 -0.1232 0.0619 0.057 Uiso 1 calc R
C13C C 0.5155(5) 0.1629(3) -0.0792(3) 0.0559(14) Uani 1 d .
H13C H 0.5736 0.1857 -0.0417 0.067 Uiso 1 calc R
C14A C 0.1947(4) -0.1524(3) -0.1110(3) 0.0523(13) Uani 1 d .
H14A H 0.1433 -0.1767 -0.1045 0.063 Uiso 1 calc R
C14B C 0.7679(4) -0.1267(3) -0.0033(3) 0.0501(13) Uani 1 d .
H14B H 0.8363 -0.1454 0.0280 0.060 Uiso 1 calc R
C14C C 0.4300(5) 0.2025(3) -0.1257(3) 0.0562(14) Uani 1 d .
H14C H 0.4295 0.2521 -0.1201 0.067 Uiso 1 calc R
C15A C 0.1945(4) -0.0793(3) -0.1133(3) 0.0542(13) Uani 1 d .
H15A H 0.1438 -0.0535 -0.1072 0.065 Uiso 1 calc R
C15B C 0.7419(4) -0.1124(3) -0.0694(2) 0.0473(12) Uani 1 d .
H15B H 0.7930 -0.1207 -0.0829 0.057 Uiso 1 calc R
C15C C 0.3443(5) 0.1699(2) -0.1808(3) 0.0474(12) Uani 1 d .
H15C H 0.2850 0.1970 -0.2129 0.057 Uiso 1 calc R
C16A C 0.2682(4) -0.0430(3) -0.1245(2) 0.0406(10) Uani 1 d .
H16A H 0.2671 0.0071 -0.1262 0.049 Uiso 1 calc R
C16B C 0.6411(3) -0.0859(2) -0.1153(2) 0.0361(10) Uani 1 d .
H16B H 0.6234 -0.0768 -0.1604 0.043 Uiso 1 calc R
C16C C 0.3463(4) 0.0968(2) -0.1886(2) 0.0368(10) Uani 1 d .
H16C H 0.2879 0.0747 -0.2264 0.044 Uiso 1 calc R
C17A C 0.2241(3) -0.0619(2) -0.44144(19) 0.0296(8) Uani 1 d .
C17B C 0.1906(3) 0.0600(2) -0.37799(19) 0.0285(8) Uani 1 d .
C17C C 0.1126(3) -0.07770(19) -0.36642(19) 0.0267(8) Uani 1 d .
C18A C 0.2699(4) -0.1273(2) -0.4416(2) 0.0447(12) Uani 1 d .
H18A H 0.3022 -0.1555 -0.4020 0.054 Uiso 1 calc R
C18B C 0.2588(4) 0.1076(2) -0.3847(2) 0.0374(10) Uani 1 d .
H18B H 0.3211 0.0907 -0.3839 0.045 Uiso 1 calc R
C18C C 0.0380(3) -0.1185(2) -0.4210(2) 0.0347(9) Uani 1 d .
H18C H 0.0442 -0.1229 -0.4600 0.042 Uiso 1 calc R
C19A C 0.2683(5) -0.1508(3) -0.4993(3) 0.0581(15) Uani 1 d .
H19A H 0.2972 -0.1958 -0.4994 0.070 Uiso 1 calc R
C19B C 0.2354(4) 0.1800(2) -0.3925(2) 0.0460(12) Uani 1 d .
H19B H 0.2813 0.2118 -0.3976 0.055 Uiso 1 calc R
C19C C -0.0454(4) -0.1526(3) -0.4185(2) 0.0452(11) Uani 1 d .
H19C H -0.0946 -0.1811 -0.4552 0.054 Uiso 1 calc R
C20A C 0.2248(4) -0.1091(3) -0.5568(2) 0.0481(12) Uani 1 d .
H20A H 0.2253 -0.1250 -0.5957 0.058 Uiso 1 calc R
C20B C 0.1451(4) 0.2053(2) -0.3927(2) 0.0502(13) Uani 1 d .
H20B H 0.1304 0.2544 -0.3970 0.060 Uiso 1 calc R
C20C C -0.0563(4) -0.1446(3) -0.3616(2) 0.0431(11) Uani 1 d .
H20C H -0.1141 -0.1668 -0.3603 0.052 Uiso 1 calc R
C21A C 0.1807(4) -0.0447(3) -0.5571(2) 0.0436(11) Uani 1 d .
H21A H 0.1513 -0.0159 -0.5963 0.052 Uiso 1 calc R
C21B C 0.0771(4) 0.1590(3) -0.3867(3) 0.0519(13) Uani 1 d .
H21B H 0.0149 0.1763 -0.3876 0.062 Uiso 1 calc R
C21C C 0.0172(4) -0.1044(2) -0.3072(2) 0.0399(10) Uani 1 d .
H21C H 0.0101 -0.0991 -0.2686 0.048 Uiso 1 calc R
C22A C 0.1790(4) -0.0211(2) -0.5001(2) 0.0361(10) Uani 1 d .
H22A H 0.1469 0.0230 -0.5013 0.043 Uiso 1 calc R
C22B C 0.0991(4) 0.0861(2) -0.3793(2) 0.0388(10) Uani 1 d .
H22B H 0.0518 0.0546 -0.3752 0.047 Uiso 1 calc R
C22C C 0.1015(3) -0.0720(2) -0.3095(2) 0.0321(9) Uani 1 d .
H22C H 0.1525 -0.0454 -0.2717 0.039 Uiso 1 calc R
O5 O 0.1279(3) -0.35349(19) -0.22595(18) 0.0529(9) Uani 1 d .
C24 C 0.0490(4) -0.2999(3) -0.2501(4) 0.0749(19) Uani 1 d .
H24A H 0.0721 -0.2596 -0.2671 0.090 Uiso 1 calc R
H24B H 0.0392 -0.2826 -0.2129 0.090 Uiso 1 calc R
C25 C -0.0519(6) -0.3284(4) -0.3043(4) 0.099(3) Uani 1 d .
H25A H -0.0645 -0.3130 -0.3488 0.119 Uiso 1 calc R
H25B H -0.1128 -0.3126 -0.2994 0.119 Uiso 1 calc R
C26 C -0.0394(6) -0.4063(4) -0.2972(5) 0.113(3) Uani 1 d .
H26A H -0.0806 -0.4258 -0.2773 0.136 Uiso 1 calc R
H26B H -0.0651 -0.4287 -0.3417 0.136 Uiso 1 calc R
C27 C 0.0770(6) -0.4190(3) -0.2521(4) 0.091(2) Uani 1 d .
H27A H 0.0889 -0.4507 -0.2147 0.109 Uiso 1 calc R
H27B H 0.1072 -0.4417 -0.2775 0.109 Uiso 1 calc R
O6 O -0.5308(5) -0.1708(3) -0.5374(3) 0.1050(17) Uiso 1 d .
C28 C -0.4478(5) -0.2104(4) -0.5372(4) 0.0786(19) Uani 1 d .
H28A H -0.4516 -0.2060 -0.5812 0.094 Uiso 1 calc R
H28B H -0.4545 -0.2609 -0.5289 0.094 Uiso 1 calc R
C29 C -0.3449(5) -0.1817(5) -0.4826(4) 0.091(2) Uani 1 d .
H29A H -0.2892 -0.1820 -0.4955 0.109 Uiso 1 calc R
H29B H -0.3186 -0.2085 -0.4401 0.109 Uiso 1 calc R
C30 C -0.3758(8) -0.1068(6) -0.4759(6) 0.144(5) Uani 1 d .
H30A H -0.3336 -0.0908 -0.4285 0.173 Uiso 1 calc R
H30B H -0.3626 -0.0741 -0.5044 0.173 Uiso 1 calc R
C31 C -0.4869(8) -0.1088(4) -0.4975(5) 0.121(3) Uani 1 d .
H31A H -0.5232 -0.0663 -0.5246 0.145 Uiso 1 calc R
H31B H -0.4968 -0.1100 -0.4581 0.145 Uiso 1 calc R
O7 O 0.0515(12) -0.3634(9) -0.4288(8) 0.279(6) Uiso 1 d .
C32 C 0.0864(13) -0.3173(9) -0.4585(8) 0.200(6) Uiso 1 d .
H32A H 0.0891 -0.2689 -0.4414 0.240 Uiso 1 calc R
H32B H 0.0370 -0.3172 -0.5080 0.240 Uiso 1 calc R
C33 C 0.1963(11) -0.3400(7) -0.4422(7) 0.170(5) Uiso 1 d .
H33A H 0.2085 -0.3315 -0.4802 0.204 Uiso 1 calc R
H33B H 0.2533 -0.3167 -0.4010 0.204 Uiso 1 calc R
C34 C 0.1036(19) -0.4321(13) -0.4244(12) 0.301(11) Uiso 1 d .
H34A H 0.1280 -0.4550 -0.3803 0.361 Uiso 1 calc R
H34B H 0.0540 -0.4643 -0.4608 0.361 Uiso 1 calc R
C35 C 0.1881(14) -0.4148(9) -0.4316(9) 0.214(7) Uiso 1 d .
H35A H 0.1824 -0.4413 -0.4703 0.257 Uiso 1 calc R
H35B H 0.2549 -0.4301 -0.3907 0.257 Uiso 1 calc R
Cl1 Cl -0.17907(12) -0.14086(7) -0.23032(8) 0.0596(4) Uani 1 d .
O1 O -0.2626(4) -0.1571(3) -0.2197(3) 0.113(2) Uani 1 d .
O2 O -0.1369(8) -0.0796(5) -0.2063(8) 0.270(7) Uani 1 d .
O3 O -0.2213(9) -0.1270(7) -0.2973(5) 0.263(7) Uani 1 d .
O4 O -0.1049(5) -0.1952(3) -0.2126(4) 0.155(3) Uani 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'
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'
P P 0.1023 0.0942 '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
N1 Cu1 N2 113.86(12) . . y
N1 Cu1 P2 105.91(9) . . y
N2 Cu1 P2 103.12(9) . . y
N1 Cu1 P1 102.61(9) . . y
N2 Cu1 P1 106.07(9) . . y
P2 Cu1 P1 125.69(4) . . y
C11B P1 C11C 105.50(19) . . y
C11B P1 C11A 102.53(18) . . y
C11C P1 C11A 105.53(18) . . y
C11B P1 Cu1 113.70(13) . . y
C11C P1 Cu1 113.94(13) . . y
C11A P1 Cu1 114.52(13) . . y
C17C P2 C17A 104.86(18) . . y
C17C P2 C17B 104.34(18) . . y
C17A P2 C17B 103.65(18) . . y
C17C P2 Cu1 112.50(12) . . y
C17A P2 Cu1 112.35(13) . . y
C17B P2 Cu1 117.91(13) . . y
C5 N1 C1 116.9(3) . . y
C5 N1 Cu1 116.4(3) . . y
C1 N1 Cu1 125.4(3) . . y
C8 N2 C7 116.9(3) . . y
C8 N2 Cu1 127.6(3) . . y
C7 N2 Cu1 115.0(2) . . y
N1 C1 C2 122.9(4) . . y
C1 C2 C3 120.0(4) . . y
C2 C3 C4 117.1(3) . . y
C2 C3 C6 121.7(3) . . y
C4 C3 C6 121.2(3) . . y
C5 C4 C3 119.6(4) . . y
N1 C5 C4 123.4(4) . . y
C7 C6 C10 117.7(3) 2_644 . y
C7 C6 C3 120.5(3) 2_644 . y
C10 C6 C3 121.8(3) . . y
N2 C7 C6 124.1(3) . 2_654 y
N2 C8 C9 123.0(4) . . y
C8 C9 C10 120.0(4) . 2_654 y
C9 C10 C6 118.2(4) 2_644 . y
C16A C11A C12A 118.3(4) . . y
C16A C11A P1 123.6(3) . . y
C12A C11A P1 117.8(3) . . y
C12B C11B C16B 118.6(4) . . y
C12B C11B P1 122.3(3) . . y
C16B C11B P1 119.1(3) . . y
C12C C11C C16C 118.0(4) . . y
C12C C11C P1 123.9(3) . . y
C16C C11C P1 117.9(3) . . y
C13A C12A C11A 121.3(4) . . y
C11B C12B C13B 120.5(4) . . y
C13C C12C C11C 119.9(5) . . y
C14A C13A C12A 120.0(5) . . y
C14B C13B C12B 119.9(4) . . y
C14C C13C C12C 121.2(5) . . y
C13A C14A C15A 119.7(5) . . y
C13B C14B C15B 120.2(4) . . y
C13C C14C C15C 120.1(4) . . y
C14A C15A C16A 120.7(5) . . y
C16B C15B C14B 119.7(4) . . y
C14C C15C C16C 119.3(5) . . y
C15A C16A C11A 120.1(4) . . y
C15B C16B C11B 121.1(4) . . y
C15C C16C C11C 121.6(4) . . y
C22A C17A C18A 118.3(4) . . y
C22A C17A P2 123.5(3) . . y
C18A C17A P2 118.1(3) . . y
C22B C17B C18B 118.8(4) . . y
C22B C17B P2 122.2(3) . . y
C18B C17B P2 118.8(3) . . y
C18C C17C C22C 118.5(4) . . y
C18C C17C P2 123.7(3) . . y
C22C C17C P2 117.6(3) . . y
C19A C18A C17A 120.5(4) . . y
C17B C18B C19B 120.3(4) . . y
C19C C18C C17C 120.5(4) . . y
C20A C19A C18A 120.4(5) . . y
C20B C19B C18B 120.2(5) . . y
C18C C19C C20C 119.9(4) . . y
C21A C20A C19A 119.7(4) . . y
C21B C20B C19B 120.0(4) . . y
C21C C20C C19C 120.1(4) . . y
C20A C21A C22A 120.5(4) . . y
C20B C21B C22B 120.5(5) . . y
C20C C21C C22C 119.6(4) . . y
C17A C22A C21A 120.5(4) . . y
C17B C22B C21B 120.2(4) . . y
C21C C22C C17C 121.3(4) . . y
C27 O5 C24 108.7(4) . . y
O5 C24 C25 109.1(5) . . y
C24 C25 C26 105.2(6) . . y
C27 C26 C25 105.6(6) . . y
O5 C27 C26 108.6(6) . . y
C28 O6 C31 109.5(6) . . y
O6 C28 C29 107.2(6) . . y
C28 C29 C30 101.9(7) . . y
C31 C30 C29 106.3(7) . . y
C30 C31 O6 107.6(7) . . y
C32 O7 C34 107.0(17) . . y
O7 C32 C33 107.9(14) . . y
C35 C33 C32 99.0(13) . . y
C35 C34 O7 103.9(19) . . y
C34 C35 C33 114.3(18) . . y
O2 Cl1 O3 98.8(8) . . y
O2 Cl1 O1 112.8(6) . . y
O3 Cl1 O1 108.2(6) . . y
O2 Cl1 O4 114.3(6) . . y
O3 Cl1 O4 108.1(5) . . y
O1 Cl1 O4 113.4(3) . . y
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 N1 2.087(3) . y
Cu1 N2 2.088(3) . y
Cu1 P2 2.2654(11) . y
Cu1 P1 2.2727(11) . y
P1 C11B 1.821(4) . y
P1 C11C 1.821(4) . y
P1 C11A 1.825(4) . y
P2 C17C 1.817(4) . y
P2 C17A 1.826(4) . y
P2 C17B 1.829(4) . y
N1 C5 1.340(5) . y
N1 C1 1.341(5) . y
N2 C8 1.329(5) . y
N2 C7 1.342(5) . y
C1 C2 1.380(5) . y
C2 C3 1.384(5) . y
C3 C4 1.388(5) . y
C3 C6 1.481(5) . y
C4 C5 1.377(5) . y
C6 C7 1.385(5) 2_644 y
C6 C10 1.387(5) . y
C7 C6 1.385(5) 2_654 y
C8 C9 1.369(6) . y
C9 C10 1.381(6) 2_654 y
C10 C9 1.381(6) 2_644 y
C11A C16A 1.386(6) . y
C11A C12A 1.386(6) . y
C11B C12B 1.385(6) . y
C11B C16B 1.391(6) . y
C11C C12C 1.390(6) . y
C11C C16C 1.393(6) . y
C12A C13A 1.376(6) . y
C12B C13B 1.392(6) . y
C12C C13C 1.388(7) . y
C13A C14A 1.367(7) . y
C13B C14B 1.375(7) . y
C13C C14C 1.362(8) . y
C14A C15A 1.373(7) . y
C14B C15B 1.382(7) . y
C14C C15C 1.376(8) . y
C15A C16A 1.385(7) . y
C15B C16B 1.377(6) . y
C15C C16C 1.384(6) . y
C17A C22A 1.383(6) . y
C17A C18A 1.391(6) . y
C17B C22B 1.386(6) . y
C17B C18B 1.388(6) . y
C17C C18C 1.387(6) . y
C17C C22C 1.390(6) . y
C18A C19A 1.376(6) . y
C18B C19B 1.388(6) . y
C18C C19C 1.382(6) . y
C19A C20A 1.373(7) . y
C19B C20B 1.376(7) . y
C19C C20C 1.392(7) . y
C20A C21A 1.362(7) . y
C20B C21B 1.363(7) . y
C20C C21C 1.375(7) . y
C21A C22A 1.384(6) . y
C21B C22B 1.394(6) . y
C21C C22C 1.377(6) . y
O5 C27 1.398(7) . y
O5 C24 1.401(6) . y
C24 C25 1.445(8) . y
C25 C26 1.471(11) . y
C26 C27 1.468(10) . y
O6 C28 1.400(8) . y
O6 C31 1.413(9) . y
C28 C29 1.466(8) . y
C29 C30 1.503(12) . y
C30 C31 1.407(11) . y
O7 C32 1.343(17) . y
O7 C34 1.47(2) . y
C32 C33 1.486(17) . y
C33 C35 1.438(18) . y
C34 C35 1.34(2) . y
Cl1 O2 1.284(7) . y
Cl1 O3 1.352(7) . y
Cl1 O1 1.371(4) . y
Cl1 O4 1.377(5) . y
