#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:23:39 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180503 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/72/7217273.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_7217273
loop_
_publ_author_name
'Galkina, Irina'
'Tufatullin, Artem'
'Krivolapov, Dmitry'
'Bakhtiyarova, Yuliya'
'Chubukaeva, Dinara'
'Stakheev, Vitaly'
'Galkin, Vladimir'
'Cherkasov, Rafael'
'Büchner, Bernd'
'Kataeva, Olga'
_publ_section_title
;
 Crystal structure of phosphonium carboxylate complexes. The role of the
 metal coordination geometry, ligand conformation and hydrogen bonding
;
_journal_issue                   38
_journal_name_full               CrystEngComm
_journal_page_first              9010
_journal_paper_doi               10.1039/C4CE01361A
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C126 H106 Cu2 O12 P4, 2Cl, 9(H2 O)'
_chemical_formula_sum            'C126 H124 Cl2 Cu2 O21 P4'
_chemical_formula_weight         2296.11
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.5870(10)
_cell_angle_beta                 95.4920(10)
_cell_angle_gamma                104.0800(10)
_cell_formula_units_Z            1
_cell_length_a                   12.2960(10)
_cell_length_b                   15.163(2)
_cell_length_c                   16.486(2)
_cell_measurement_reflns_used    4601
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      20.11
_cell_measurement_theta_min      2.00
_cell_volume                     2963.6(6)
_computing_cell_refinement       'APEX2  v2, 1-4  (Bruker AXS, 2005-2007)'
_computing_data_collection       'APEX2  v2, 1-4  (Bruker AXS, 2005-2007)'
_computing_data_reduction        'SAINT NT v6.0 (Bruker AXS, 2003)'
_computing_molecular_graphics
'ORTEP-3 for Windows (Farrugia, 1997), SCHAKAL (Keller, 1997)'
_computing_publication_material
'SHELXL97 (Sheldrick, 1997), WinGX (Farrugia 1999), enCIFer (Allen et al. 2004)'
_computing_structure_refinement
'SHELXL-97 (Sheldrick, 1997), WinGX (Farrugia 1999), PLATON (Spek 2005)'
_computing_structure_solution
'SHELXS-97 (Sheldrick, 2008), SIR2004 (Burla et al., 2005)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device       'Bruker Smart ApexII'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       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  0.0529
_diffrn_reflns_av_sigmaI/netI    0.0842
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            22499
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    0.525
_exptl_absorpt_correction_T_max  0.9494
_exptl_absorpt_correction_T_min  0.8799
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS version 2.10 (Sheldrick,Bruker AXS Inc.)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.287
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1200
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.976
_refine_diff_density_min         -0.605
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     761
_refine_ls_number_reflns         11444
_refine_ls_number_restraints     52
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.0906
_refine_ls_R_factor_gt           0.0554
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0692P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1393
_refine_ls_wR_factor_ref         0.1525
_reflns_number_gt                7054
_reflns_number_total             11444
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce01361a2.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
'Adding full bibliography for 7217262--7217274.cif.'
_cod_original_cell_volume        2963.5(6)
_cod_database_code               7217273
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.1735(3) -0.4784(2) -0.08361(19) 0.0338(7) Uani 1 1 d . . .
C1A C 0.0670(3) -0.2229(2) 0.1196(2) 0.0401(8) Uani 1 1 d . . .
C2 C -0.2758(3) -0.4549(2) -0.1270(2) 0.0399(8) Uani 1 1 d . . .
H2A H -0.2608 -0.3893 -0.1301 0.048 Uiso 1 1 calc R . .
H2B H -0.3389 -0.4741 -0.0951 0.048 Uiso 1 1 calc R . .
C2A C 0.0060(3) -0.1487(2) 0.1367(2) 0.0397(8) Uani 1 1 d . . .
H2A1 H -0.0745 -0.1728 0.1233 0.048 Uiso 1 1 calc R . .
H2A2 H 0.0306 -0.0983 0.1024 0.048 Uiso 1 1 calc R . .
C3 C -0.3090(3) -0.4995(2) -0.21390(19) 0.0357(8) Uani 1 1 d . . .
H3 H -0.3055 -0.5632 -0.2111 0.043 Uiso 1 1 calc R . .
C3A C 0.0304(3) -0.1144(2) 0.22707(19) 0.0348(8) Uani 1 1 d . . .
H3A H 0.1123 -0.0918 0.2388 0.042 Uiso 1 1 calc R . .
C5 C -0.2295(3) -0.4562(2) -0.2747(2) 0.0399(8) Uani 1 1 d . . .
C6 C -0.1902(3) -0.3626(3) -0.2765(3) 0.0585(11) Uani 1 1 d . . .
H6 H -0.2143 -0.3248 -0.2405 0.070 Uiso 1 1 calc R . .
C6A C -0.0073(3) -0.1910(2) 0.28363(19) 0.0368(8) Uani 1 1 d . . .
C7 C -0.1164(4) -0.3249(3) -0.3304(3) 0.0761(14) Uani 1 1 d . . .
H7 H -0.0912 -0.2619 -0.3310 0.091 Uiso 1 1 calc R . .
C7A C 0.0716(3) -0.2117(2) 0.3413(2) 0.0467(9) Uani 1 1 d . . .
H7A H 0.1452 -0.1758 0.3479 0.056 Uiso 1 1 calc R . .
C8 C -0.0789(4) -0.3799(4) -0.3843(3) 0.0747(14) Uani 1 1 d . . .
H8 H -0.0288 -0.3546 -0.4212 0.090 Uiso 1 1 calc R . .
C8A C 0.0411(4) -0.2859(3) 0.3890(2) 0.0599(11) Uani 1 1 d . . .
H8A H 0.0943 -0.3003 0.4269 0.072 Uiso 1 1 calc R . .
C9 C -0.1171(4) -0.4717(4) -0.3819(3) 0.0733(13) Uani 1 1 d . . .
H9 H -0.0922 -0.5094 -0.4174 0.088 Uiso 1 1 calc R . .
C9A C -0.0675(4) -0.3378(3) 0.3800(3) 0.0680(13) Uani 1 1 d . . .
H9A H -0.0877 -0.3872 0.4124 0.082 Uiso 1 1 calc R . .
C10 C -0.1915(3) -0.5099(3) -0.3283(2) 0.0557(10) Uani 1 1 d . . .
H10 H -0.2166 -0.5729 -0.3282 0.067 Uiso 1 1 calc R . .
C10A C -0.1467(4) -0.3183(3) 0.3243(3) 0.0643(12) Uani 1 1 d . . .
H10A H -0.2207 -0.3532 0.3197 0.077 Uiso 1 1 calc R . .
C11 C -0.4671(3) -0.3835(2) -0.2382(2) 0.0477(9) Uani 1 1 d . . .
C11A C -0.1159(3) -0.2463(2) 0.2749(2) 0.0495(9) Uani 1 1 d . . .
H11A H -0.1689 -0.2348 0.2351 0.059 Uiso 1 1 calc R . .
C12 C -0.4403(4) -0.3296(3) -0.3035(3) 0.0686(12) Uani 1 1 d . . .
H12 H -0.4258 -0.3556 -0.3518 0.082 Uiso 1 1 calc R . .
C12A C 0.0114(3) 0.0333(2) 0.3439(2) 0.0419(9) Uani 1 1 d . . .
C13A C -0.0536(4) 0.0840(3) 0.3782(2) 0.0588(11) Uani 1 1 d . . .
H13A H -0.1230 0.0857 0.3512 0.071 Uiso 1 1 calc R . .
C14 C -0.4349(4) -0.2375(4) -0.2974(4) 0.0882(16) Uani 1 1 d . . .
H14 H -0.4172 -0.2017 -0.3415 0.106 Uiso 1 1 calc R . .
C14A C -0.0169(5) 0.1316(3) 0.4516(3) 0.0718(13) Uani 1 1 d . . .
H14A H -0.0622 0.1642 0.4749 0.086 Uiso 1 1 calc R . .
C15 C -0.4557(5) -0.1990(3) -0.2262(4) 0.0925(17) Uani 1 1 d . . .
H15 H -0.4502 -0.1367 -0.2216 0.111 Uiso 1 1 calc R . .
C15A C 0.0854(5) 0.1314(3) 0.4902(3) 0.0683(13) Uani 1 1 d . . .
H15A H 0.1105 0.1648 0.5395 0.082 Uiso 1 1 calc R . .
C16 C -0.4848(4) -0.2520(3) -0.1611(4) 0.0833(15) Uani 1 1 d . . .
H16 H -0.5015 -0.2258 -0.1136 0.100 Uiso 1 1 calc R . .
C16A C 0.1517(4) 0.0830(3) 0.4580(3) 0.0703(13) Uani 1 1 d . . .
H16A H 0.2214 0.0830 0.4854 0.084 Uiso 1 1 calc R . .
C17 C -0.4892(3) -0.3442(3) -0.1664(3) 0.0606(11) Uani 1 1 d . . .
H17 H -0.5068 -0.3797 -0.1220 0.073 Uiso 1 1 calc R . .
C17A C 0.1155(4) 0.0330(3) 0.3837(2) 0.0561(10) Uani 1 1 d . . .
H17A H 0.1609 -0.0001 0.3613 0.067 Uiso 1 1 calc R . .
C18 C -0.5102(3) -0.5540(3) -0.3410(2) 0.0442(9) Uani 1 1 d . . .
C18A C 0.0178(3) 0.0676(2) 0.1740(2) 0.0390(8) Uani 1 1 d . . .
C19 C -0.5864(3) -0.5218(3) -0.3930(2) 0.0603(11) Uani 1 1 d . . .
H19 H -0.6019 -0.4661 -0.3813 0.072 Uiso 1 1 calc R . .
C19A C 0.1250(3) 0.0804(2) 0.1493(2) 0.0521(10) Uani 1 1 d . . .
H19A H 0.1708 0.0428 0.1676 0.062 Uiso 1 1 calc R . .
C20 C -0.6386(4) -0.5742(4) -0.4625(3) 0.0803(15) Uani 1 1 d . . .
H20 H -0.6886 -0.5530 -0.4981 0.096 Uiso 1 1 calc R . .
C20A C 0.1643(3) 0.1486(3) 0.0979(2) 0.0580(11) Uani 1 1 d . . .
H20A H 0.2355 0.1558 0.0804 0.070 Uiso 1 1 calc R . .
C21 C -0.6172(5) -0.6568(4) -0.4791(3) 0.0858(17) Uani 1 1 d . . .
H21 H -0.6548 -0.6924 -0.5250 0.103 Uiso 1 1 calc R . .
C21A C 0.0976(4) 0.2061(2) 0.0725(2) 0.0540(10) Uani 1 1 d . . .
H21A H 0.1245 0.2526 0.0385 0.065 Uiso 1 1 calc R . .
C22 C -0.5418(5) -0.6872(3) -0.4296(3) 0.0822(15) Uani 1 1 d . . .
H22 H -0.5261 -0.7426 -0.4426 0.099 Uiso 1 1 calc R . .
C22A C -0.0068(4) 0.1952(3) 0.0970(3) 0.0633(12) Uani 1 1 d . . .
H22A H -0.0514 0.2340 0.0796 0.076 Uiso 1 1 calc R . .
C23 C -0.4883(4) -0.6371(3) -0.3604(3) 0.0638(11) Uani 1 1 d . . .
H23 H -0.4372 -0.6589 -0.3263 0.077 Uiso 1 1 calc R . .
C23A C -0.0470(4) 0.1266(3) 0.1479(2) 0.0602(11) Uani 1 1 d . . .
H23A H -0.1184 0.1198 0.1649 0.072 Uiso 1 1 calc R . .
C24 C -0.5387(3) -0.5641(2) -0.1698(2) 0.0417(8) Uani 1 1 d . . .
C24A C -0.1824(3) -0.0538(2) 0.2266(2) 0.0478(9) Uani 1 1 d . . .
C25 C -0.4984(3) -0.6274(3) -0.1258(2) 0.0526(10) Uani 1 1 d . . .
H25 H -0.4269 -0.6354 -0.1316 0.063 Uiso 1 1 calc R . .
C25A C -0.2372(4) -0.0615(3) 0.1492(3) 0.0664(12) Uani 1 1 d . . .
H25A H -0.1960 -0.0455 0.1050 0.080 Uiso 1 1 calc R . .
C26 C -0.5653(4) -0.6789(3) -0.0729(3) 0.0717(13) Uani 1 1 d . . .
H26 H -0.5376 -0.7207 -0.0421 0.086 Uiso 1 1 calc R . .
C26A C -0.3527(5) -0.0928(4) 0.1365(4) 0.0987(18) Uani 1 1 d . . .
H26A H -0.3894 -0.0967 0.0840 0.118 Uiso 1 1 calc R . .
C27 C -0.6706(4) -0.6694(3) -0.0654(3) 0.0755(14) Uani 1 1 d . . .
H27 H -0.7148 -0.7051 -0.0300 0.091 Uiso 1 1 calc R . .
C27A C -0.4142(5) -0.1182(4) 0.2016(6) 0.112(2) Uani 1 1 d . . .
H27A H -0.4921 -0.1399 0.1926 0.135 Uiso 1 1 calc R . .
C28 C -0.7123(4) -0.6080(3) -0.1092(3) 0.0722(13) Uani 1 1 d . . .
H28 H -0.7848 -0.6019 -0.1037 0.087 Uiso 1 1 calc R . .
C28A C -0.3625(5) -0.1120(4) 0.2778(5) 0.0957(18) Uani 1 1 d . . .
H28A H -0.4051 -0.1289 0.3211 0.115 Uiso 1 1 calc R . .
C29 C -0.6468(3) -0.5544(3) -0.1619(3) 0.0566(10) Uani 1 1 d . . .
H29 H -0.6749 -0.5121 -0.1917 0.068 Uiso 1 1 calc R . .
C29A C -0.2461(4) -0.0805(3) 0.2927(3) 0.0711(13) Uani 1 1 d . . .
H29A H -0.2105 -0.0770 0.3455 0.085 Uiso 1 1 calc R . .
Cl1 Cl 0.62350(13) 0.08767(14) 0.62863(10) 0.1262(6) Uani 1 1 d . . .
Cu1 Cu 0.02319(3) -0.41833(3) 0.04149(3) 0.03875(14) Uani 1 1 d . . .
O1 O -0.11549(18) -0.41957(14) -0.03164(13) 0.0385(5) Uani 1 1 d . . .
O1A O 0.0063(2) -0.29476(16) 0.08848(16) 0.0590(7) Uani 1 1 d . . .
O2 O -0.1570(2) -0.55468(15) -0.10033(15) 0.0500(7) Uani 1 1 d . . .
O2A O 0.1706(2) -0.20523(18) 0.13876(17) 0.0621(8) Uani 1 1 d . . .
O1B O 0.1129(2) -0.37660(18) -0.05010(19) 0.0589(7) Uani 1 1 d . A .
O2B O 0.0660(2) -0.5096(2) -0.12084(16) 0.0633(8) Uani 1 1 d . . .
P4 P -0.45638(7) -0.49906(6) -0.24252(5) 0.0377(2) Uani 1 1 d . . .
P4A P -0.03187(8) -0.01802(6) 0.24363(5) 0.0368(2) Uani 1 1 d . . .
C1B C 0.1092(3) -0.4267(4) -0.1137(3) 0.0593(12) Uani 1 1 d D . .
C2C C 0.1751(9) -0.3602(6) -0.1673(5) 0.0506(19) Uani 0.461(4) 1 d PD A 1
H2B1 H 0.2187 -0.3034 -0.1473 0.061 Uiso 0.461(4) 1 calc PR A 1
C3C C 0.1672(7) -0.3873(6) -0.2432(5) 0.0532(16) Uani 0.461(4) 1 d PD A 1
H3B H 0.1268 -0.4469 -0.2571 0.064 Uiso 0.461(4) 1 calc PR A 1
C4C C 0.2169(10) -0.3322(7) -0.3114(5) 0.057(2) Uani 0.461(4) 1 d PD A 1
C5C C 0.2207(15) -0.3782(11) -0.3844(7) 0.073(3) Uani 0.461(4) 1 d PD A 1
H5C H 0.1938 -0.4411 -0.3888 0.088 Uiso 0.461(4) 1 calc PR A 1
C6C C 0.263(3) -0.3338(16) -0.4511(12) 0.091(6) Uani 0.461(4) 1 d PD A 1
H6C H 0.2657 -0.3648 -0.5001 0.110 Uiso 0.461(4) 1 calc PR A 1
C7C C 0.302(4) -0.2401(19) -0.440(2) 0.104(5) Uani 0.461(4) 1 d PD A 1
H7C H 0.3310 -0.2076 -0.4832 0.125 Uiso 0.461(4) 1 calc PR A 1
C8C C 0.298(2) -0.1924(12) -0.3678(14) 0.093(5) Uani 0.461(4) 1 d PD A 1
H8C H 0.3233 -0.1292 -0.3640 0.112 Uiso 0.461(4) 1 calc PR A 1
C9C C 0.2578(13) -0.2385(8) -0.3014(11) 0.076(3) Uani 0.461(4) 1 d PD A 1
H9C H 0.2581 -0.2078 -0.2517 0.091 Uiso 0.461(4) 1 calc PR A 1
C2B C 0.1464(8) -0.4029(5) -0.1969(4) 0.0506(19) Uani 0.539(4) 1 d PD A 2
H2C H 0.1324 -0.4472 -0.2393 0.061 Uiso 0.539(4) 1 calc PR A 2
C3B C 0.1982(6) -0.3194(5) -0.2080(4) 0.0532(16) Uani 0.539(4) 1 d PD A 2
H3C H 0.2107 -0.2786 -0.1628 0.064 Uiso 0.539(4) 1 calc PR A 2
C4B C 0.2404(8) -0.2811(5) -0.2856(5) 0.057(2) Uani 0.539(4) 1 d PD A 2
C5B C 0.2349(12) -0.3366(9) -0.3548(6) 0.073(3) Uani 0.539(4) 1 d PD A 2
H5B H 0.2047 -0.3989 -0.3534 0.088 Uiso 0.539(4) 1 calc PR A 2
C6B C 0.274(2) -0.3011(14) -0.4260(9) 0.091(6) Uani 0.539(4) 1 d PD A 2
H6B H 0.2701 -0.3390 -0.4720 0.110 Uiso 0.539(4) 1 calc PR A 2
C7B C 0.318(4) -0.2081(15) -0.4276(18) 0.104(5) Uani 0.539(4) 1 d PD A 2
H7B H 0.3427 -0.1836 -0.4756 0.125 Uiso 0.539(4) 1 calc PR A 2
C8B C 0.326(2) -0.1509(10) -0.3593(11) 0.093(5) Uani 0.539(4) 1 d PD A 2
H8B H 0.3563 -0.0886 -0.3607 0.112 Uiso 0.539(4) 1 calc PR A 2
C9B C 0.2864(11) -0.1886(6) -0.2889(9) 0.076(3) Uani 0.539(4) 1 d PD A 2
H9B H 0.2913 -0.1508 -0.2426 0.091 Uiso 0.539(4) 1 calc PR A 2
O1W O 0.3177(3) -0.2540(3) 0.0291(3) 0.1112(13) Uani 1 1 d D . .
H1WA H 0.257(3) -0.285(4) -0.004(3) 0.167 Uiso 1 1 d D . .
H1WB H 0.300(4) -0.238(5) 0.0781(18) 0.167 Uiso 1 1 d D . .
O2W O 0.3990(5) 0.0415(4) 0.0588(3) 0.0762(18) Uani 0.50 1 d P . .
O3W O 0.4179(5) 0.0838(5) 0.5010(5) 0.102(3) Uani 0.50 1 d P . .
O4W O 0.3124(3) 0.7257(2) 0.2528(3) 0.0991(12) Uani 1 1 d D . .
H4WB H 0.328(5) 0.771(3) 0.291(3) 0.149 Uiso 1 1 d D . .
H4WA H 0.254(3) 0.728(4) 0.216(3) 0.149 Uiso 1 1 d D . .
O5W O 0.3177(3) -0.0414(2) 0.1933(2) 0.1007(12) Uani 1 1 d D . .
H5WA H 0.337(5) -0.019(3) 0.1450(15) 0.151 Uiso 1 1 d D . .
H5WB H 0.276(4) -0.0995(14) 0.187(3) 0.151 Uiso 1 1 d D . .
O6W O 0.3616(7) -0.1046(5) -0.0610(4) 0.095(2) Uani 0.50 1 d PD . .
H6WB H 0.367(11) -0.154(4) -0.034(5) 0.143 Uiso 0.50 1 d PD . .
H6WA H 0.355(10) -0.059(4) -0.027(4) 0.143 Uiso 0.50 1 d PD . .
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'
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
O2 C1 O1 126.5(3) . .
O2 C1 C2 117.8(3) . .
O1 C1 C2 115.7(3) . .
O1A C1A O2A 127.0(3) . .
O1A C1A C2A 115.1(3) . .
O2A C1A C2A 117.8(3) . .
C1 C2 C3 113.5(3) . .
C1 C2 H2A 108.9 . .
C3 C2 H2A 108.9 . .
C1 C2 H2B 108.9 . .
C3 C2 H2B 108.9 . .
H2A C2 H2B 107.7 . .
C1A C2A C3A 110.9(3) . .
C1A C2A H2A1 109.5 . .
C3A C2A H2A1 109.5 . .
C1A C2A H2A2 109.5 . .
C3A C2A H2A2 109.5 . .
H2A1 C2A H2A2 108.1 . .
C5 C3 C2 113.2(3) . .
C5 C3 P4 113.9(2) . .
C2 C3 P4 107.3(2) . .
C5 C3 H3 107.4 . .
C2 C3 H3 107.4 . .
P4 C3 H3 107.4 . .
C6A C3A C2A 111.6(3) . .
C6A C3A P4A 113.0(2) . .
C2A C3A P4A 110.0(2) . .
C6A C3A H3A 107.3 . .
C2A C3A H3A 107.3 . .
P4A C3A H3A 107.3 . .
C10 C5 C6 117.9(3) . .
C10 C5 C3 120.2(3) . .
C6 C5 C3 121.9(3) . .
C7 C6 C5 121.0(4) . .
C7 C6 H6 119.5 . .
C5 C6 H6 119.5 . .
C11A C6A C7A 118.5(3) . .
C11A C6A C3A 122.0(3) . .
C7A C6A C3A 119.3(3) . .
C6 C7 C8 120.5(4) . .
C6 C7 H7 119.8 . .
C8 C7 H7 119.8 . .
C8A C7A C6A 120.2(4) . .
C8A C7A H7A 119.9 . .
C6A C7A H7A 119.9 . .
C9 C8 C7 118.3(4) . .
C9 C8 H8 120.8 . .
C7 C8 H8 120.8 . .
C9A C8A C7A 119.7(4) . .
C9A C8A H8A 120.1 . .
C7A C8A H8A 120.1 . .
C8 C9 C10 121.5(4) . .
C8 C9 H9 119.3 . .
C10 C9 H9 119.3 . .
C10A C9A C8A 121.1(4) . .
C10A C9A H9A 119.5 . .
C8A C9A H9A 119.5 . .
C9 C10 C5 120.8(4) . .
C9 C10 H10 119.6 . .
C5 C10 H10 119.6 . .
C9A C10A C11A 119.4(4) . .
C9A C10A H10A 120.3 . .
C11A C10A H10A 120.3 . .
C17 C11 C12 119.4(4) . .
C17 C11 P4 120.4(3) . .
C12 C11 P4 119.7(3) . .
C10A C11A C6A 121.0(4) . .
C10A C11A H11A 119.5 . .
C6A C11A H11A 119.5 . .
C14 C12 C11 120.5(5) . .
C14 C12 H12 119.8 . .
C11 C12 H12 119.8 . .
C13A C12A C17A 119.1(3) . .
C13A C12A P4A 119.3(3) . .
C17A C12A P4A 121.0(3) . .
C14A C13A C12A 120.6(4) . .
C14A C13A H13A 119.7 . .
C12A C13A H13A 119.7 . .
C15 C14 C12 119.8(5) . .
C15 C14 H14 120.1 . .
C12 C14 H14 120.1 . .
C15A C14A C13A 120.0(4) . .
C15A C14A H14A 120.0 . .
C13A C14A H14A 120.0 . .
C14 C15 C16 120.5(5) . .
C14 C15 H15 119.8 . .
C16 C15 H15 119.8 . .
C14A C15A C16A 120.9(4) . .
C14A C15A H15A 119.6 . .
C16A C15A H15A 119.6 . .
C15 C16 C17 120.1(5) . .
C15 C16 H16 120.0 . .
C17 C16 H16 120.0 . .
C15A C16A C17A 120.2(4) . .
C15A C16A H16A 119.9 . .
C17A C16A H16A 119.9 . .
C16 C17 C11 119.7(4) . .
C16 C17 H17 120.2 . .
C11 C17 H17 120.2 . .
C12A C17A C16A 119.2(4) . .
C12A C17A H17A 120.4 . .
C16A C17A H17A 120.4 . .
C23 C18 C19 119.3(4) . .
C23 C18 P4 118.8(3) . .
C19 C18 P4 121.2(3) . .
C23A C18A C19A 118.5(3) . .
C23A C18A P4A 120.7(3) . .
C19A C18A P4A 120.7(3) . .
C20 C19 C18 118.9(4) . .
C20 C19 H19 120.6 . .
C18 C19 H19 120.6 . .
C20A C19A C18A 120.4(3) . .
C20A C19A H19A 119.8 . .
C18A C19A H19A 119.8 . .
C21 C20 C19 120.6(4) . .
C21 C20 H20 119.7 . .
C19 C20 H20 119.7 . .
C19A C20A C21A 119.8(4) . .
C19A C20A H20A 120.1 . .
C21A C20A H20A 120.1 . .
C22 C21 C20 120.5(5) . .
C22 C21 H21 119.7 . .
C20 C21 H21 119.7 . .
C22A C21A C20A 120.4(4) . .
C22A C21A H21A 119.8 . .
C20A C21A H21A 119.8 . .
C21 C22 C23 120.5(5) . .
C21 C22 H22 119.8 . .
C23 C22 H22 119.8 . .
C21A C22A C23A 120.0(4) . .
C21A C22A H22A 120.0 . .
C23A C22A H22A 120.0 . .
C22 C23 C18 120.2(4) . .
C22 C23 H23 119.9 . .
C18 C23 H23 119.9 . .
C22A C23A C18A 120.8(4) . .
C22A C23A H23A 119.6 . .
C18A C23A H23A 119.6 . .
C25 C24 C29 119.7(4) . .
C25 C24 P4 120.6(3) . .
C29 C24 P4 119.6(3) . .
C25A C24A C29A 119.0(4) . .
C25A C24A P4A 120.9(3) . .
C29A C24A P4A 120.0(3) . .
C24 C25 C26 119.3(4) . .
C24 C25 H25 120.3 . .
C26 C25 H25 120.3 . .
C24A C25A C26A 120.4(5) . .
C24A C25A H25A 119.8 . .
C26A C25A H25A 119.8 . .
C27 C26 C25 120.9(4) . .
C27 C26 H26 119.6 . .
C25 C26 H26 119.6 . .
C25A C26A C27A 120.1(6) . .
C25A C26A H26A 119.9 . .
C27A C26A H26A 119.9 . .
C26 C27 C28 120.6(4) . .
C26 C27 H27 119.7 . .
C28 C27 H27 119.7 . .
C28A C27A C26A 120.6(6) . .
C28A C27A H27A 119.7 . .
C26A C27A H27A 119.7 . .
C27 C28 C29 119.9(4) . .
C27 C28 H28 120.0 . .
C29 C28 H28 120.0 . .
C27A C28A C29A 120.6(6) . .
C27A C28A H28A 119.7 . .
C29A C28A H28A 119.7 . .
C28 C29 C24 119.6(4) . .
C28 C29 H29 120.2 . .
C24 C29 H29 120.2 . .
C28A C29A C24A 119.2(5) . .
C28A C29A H29A 120.4 . .
C24A C29A H29A 120.4 . .
O2 Cu1 O2B 87.32(11) 2_545 2_545
O2 Cu1 O1B 89.27(11) 2_545 .
O2B Cu1 O1B 165.49(11) 2_545 .
O2 Cu1 O1 166.34(9) 2_545 .
O2B Cu1 O1 91.39(11) 2_545 .
O1B Cu1 O1 88.61(10) . .
O2 Cu1 O1A 108.21(10) 2_545 .
O2B Cu1 O1A 94.21(12) 2_545 .
O1B Cu1 O1A 100.25(11) . .
O1 Cu1 O1A 85.45(9) . .
O2 Cu1 Cu1 89.98(7) 2_545 2_545
O2B Cu1 Cu1 82.37(9) 2_545 2_545
O1B Cu1 Cu1 83.53(9) . 2_545
O1 Cu1 Cu1 76.38(6) . 2_545
O1A Cu1 Cu1 161.38(8) . 2_545
C1 O1 Cu1 131.2(2) . .
C1A O1A Cu1 138.4(3) . .
C1 O2 Cu1 115.9(2) . 2_545
C1B O1B Cu1 122.6(3) . .
C1B O2B Cu1 125.7(3) . 2_545
C11 P4 C18 111.35(18) . .
C11 P4 C24 110.77(17) . .
C18 P4 C24 106.49(16) . .
C11 P4 C3 108.15(16) . .
C18 P4 C3 112.77(16) . .
C24 P4 C3 107.25(16) . .
C12A P4A C24A 110.39(18) . .
C12A P4A C18A 106.71(15) . .
C24A P4A C18A 108.95(17) . .
C12A P4A C3A 111.01(16) . .
C24A P4A C3A 110.49(16) . .
C18A P4A C3A 109.18(15) . .
O2B C1B O1B 124.9(4) . .
O2B C1B C2C 133.7(5) . .
O1B C1B C2C 101.3(5) . .
O2B C1B C2B 104.3(5) . .
O1B C1B C2B 130.7(5) . .
C2C C1B C2B 30.3(4) . .
C3C C2C C1B 115.4(7) . .
C3C C2C H2B1 122.3 . .
C1B C2C H2B1 122.3 . .
C2C C3C C4C 126.7(8) . .
C2C C3C H3B 116.7 . .
C4C C3C H3B 116.7 . .
C9C C4C C5C 121.0(11) . .
C9C C4C C3C 121.2(9) . .
C5C C4C C3C 117.9(9) . .
C6C C5C C4C 122.4(13) . .
C6C C5C H5C 118.8 . .
C4C C5C H5C 118.8 . .
C5C C6C C7C 115(2) . .
C5C C6C H6C 122.3 . .
C7C C6C H6C 122.3 . .
C6C C7C C8C 123(3) . .
C6C C7C H7C 118.3 . .
C8C C7C H7C 118.3 . .
C9C C8C C7C 120(2) . .
C9C C8C H8C 120.0 . .
C7C C8C H8C 120.0 . .
C8C C9C C4C 117.7(13) . .
C8C C9C H9C 121.2 . .
C4C C9C H9C 121.2 . .
C3B C2B C1B 118.7(6) . .
C3B C2B H2C 120.6 . .
C1B C2B H2C 120.6 . .
C2B C3B C4B 127.3(7) . .
C2B C3B H3C 116.4 . .
C4B C3B H3C 116.4 . .
C9B C4B C5B 118.4(10) . .
C9B C4B C3B 120.1(8) . .
C5B C4B C3B 121.5(8) . .
C6B C5B C4B 121.3(12) . .
C6B C5B H5B 119.4 . .
C4B C5B H5B 119.4 . .
C5B C6B C7B 118.8(17) . .
C5B C6B H6B 120.6 . .
C7B C6B H6B 120.6 . .
C6B C7B C8B 121(2) . .
C6B C7B H7B 119.3 . .
C8B C7B H7B 119.3 . .
C9B C8B C7B 118.4(16) . .
C9B C8B H8B 120.8 . .
C7B C8B H8B 120.8 . .
C4B C9B C8B 121.7(10) . .
C4B C9B H9B 119.1 . .
C8B C9B H9B 119.1 . .
H1WA O1W H1WB 112.9(12) . .
H4WB O4W H4WA 113.2(12) . .
H5WA O5W H5WB 111.7(12) . .
H6WB O6W H6WA 112.3(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.250(4) .
C1 O1 1.253(4) .
C1 C2 1.510(4) .
C1A O1A 1.228(4) .
C1A O2A 1.244(4) .
C1A C2A 1.529(4) .
C2 C3 1.542(4) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C2A C3A 1.542(4) .
C2A H2A1 0.9700 .
C2A H2A2 0.9700 .
C3 C5 1.517(5) .
C3 P4 1.830(3) .
C3 H3 0.9800 .
C3A C6A 1.521(4) .
C3A P4A 1.832(3) .
C3A H3A 0.9800 .
C5 C10 1.374(5) .
C5 C6 1.386(5) .
C6 C7 1.368(6) .
C6 H6 0.9300 .
C6A C11A 1.386(5) .
C6A C7A 1.390(5) .
C7 C8 1.387(6) .
C7 H7 0.9300 .
C7A C8A 1.388(5) .
C7A H7A 0.9300 .
C8 C9 1.360(6) .
C8 H8 0.9300 .
C8A C9A 1.366(6) .
C8A H8A 0.9300 .
C9 C10 1.371(6) .
C9 H9 0.9300 .
C9A C10A 1.366(6) .
C9A H9A 0.9300 .
C10 H10 0.9300 .
C10A C11A 1.380(5) .
C10A H10A 0.9300 .
C11 C17 1.389(5) .
C11 C12 1.387(5) .
C11 P4 1.789(4) .
C11A H11A 0.9300 .
C12 C14 1.383(6) .
C12 H12 0.9300 .
C12A C13A 1.382(5) .
C12A C17A 1.383(5) .
C12A P4A 1.784(3) .
C13A C14A 1.371(5) .
C13A H13A 0.9300 .
C14 C15 1.370(7) .
C14 H14 0.9300 .
C14A C15A 1.356(6) .
C14A H14A 0.9300 .
C15 C16 1.381(7) .
C15 H15 0.9300 .
C15A C16A 1.355(6) .
C15A H15A 0.9300 .
C16 C17 1.387(6) .
C16 H16 0.9300 .
C16A C17A 1.397(5) .
C16A H16A 0.9300 .
C17 H17 0.9300 .
C17A H17A 0.9300 .
C18 C23 1.385(5) .
C18 C19 1.394(5) .
C18 P4 1.794(4) .
C18A C23A 1.386(5) .
C18A C19A 1.387(5) .
C18A P4A 1.791(3) .
C19 C20 1.383(6) .
C19 H19 0.9300 .
C19A C20A 1.380(5) .
C19A H19A 0.9300 .
C20 C21 1.367(7) .
C20 H20 0.9300 .
C20A C21A 1.383(5) .
C20A H20A 0.9300 .
C21 C22 1.349(7) .
C21 H21 0.9300 .
C21A C22A 1.356(5) .
C21A H21A 0.9300 .
C22 C23 1.370(6) .
C22 H22 0.9300 .
C22A C23A 1.382(5) .
C22A H22A 0.9300 .
C23 H23 0.9300 .
C23A H23A 0.9300 .
C24 C25 1.375(5) .
C24 C29 1.390(5) .
C24 P4 1.803(4) .
C24A C25A 1.373(5) .
C24A C29A 1.413(5) .
C24A P4A 1.790(4) .
C25 C26 1.381(5) .
C25 H25 0.9300 .
C25A C26A 1.377(7) .
C25A H25A 0.9300 .
C26 C27 1.354(6) .
C26 H26 0.9300 .
C26A C27A 1.382(8) .
C26A H26A 0.9300 .
C27 C28 1.360(6) .
C27 H27 0.9300 .
C27A C28A 1.342(8) .
C27A H27A 0.9300 .
C28 C29 1.385(6) .
C28 H28 0.9300 .
C28A C29A 1.390(7) .
C28A H28A 0.9300 .
C29 H29 0.9300 .
C29A H29A 0.9300 .
Cu1 O2 1.965(2) 2_545
Cu1 O2B 1.969(3) 2_545
Cu1 O1B 1.982(3) .
Cu1 O1 1.988(2) .
Cu1 O1A 2.072(2) .
Cu1 Cu1 2.7028(8) 2_545
O2 Cu1 1.965(2) 2_545
O1B C1B 1.269(5) .
O2B C1B 1.237(5) .
O2B Cu1 1.970(3) 2_545
C1B C2C 1.497(8) .
C1B C2B 1.512(7) .
C2C C3C 1.293(8) .
C2C H2B1 0.9300 .
C3C C4C 1.508(9) .
C3C H3B 0.9300 .
C4C C9C 1.385(8) .
C4C C5C 1.386(8) .
C5C C6C 1.383(8) .
C5C H5C 0.9300 .
C6C C7C 1.385(8) .
C6C H6C 0.9300 .
C7C C8C 1.384(8) .
C7C H7C 0.9300 .
C8C C9C 1.384(8) .
C8C H8C 0.9300 .
C9C H9C 0.9300 .
C2B C3B 1.298(7) .
C2B H2C 0.9300 .
C3B C4B 1.505(9) .
C3B H3C 0.9300 .
C4B C9B 1.384(6) .
C4B C5B 1.386(6) .
C5B C6B 1.382(6) .
C5B H5B 0.9300 .
C6B C7B 1.384(7) .
C6B H6B 0.9300 .
C7B C8B 1.384(7) .
C7B H7B 0.9300 .
C8B C9B 1.384(7) .
C8B H8B 0.9300 .
C9B H9B 0.9300 .
O1W H1WA 0.9001(10) .
O1W H1WB 0.9000(11) .
O4W H4WB 0.8999(11) .
O4W H4WA 0.9000(10) .
O5W H5WA 0.9002(10) .
O5W H5WB 0.9001(10) .
O6W H6WB 0.9000(11) .
O6W H6WA 0.9000(10) .
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
O2 C1 C2 C3 -31.3(4) . .
O1 C1 C2 C3 151.3(3) . .
O1A C1A C2A C3A 125.2(3) . .
O2A C1A C2A C3A -54.4(4) . .
C1 C2 C3 C5 -73.4(4) . .
C1 C2 C3 P4 160.0(2) . .
C1A C2A C3A C6A -59.4(4) . .
C1A C2A C3A P4A 174.4(2) . .
C2 C3 C5 C10 134.7(3) . .
P4 C3 C5 C10 -102.4(3) . .
C2 C3 C5 C6 -43.2(4) . .
P4 C3 C5 C6 79.8(4) . .
C10 C5 C6 C7 0.5(6) . .
C3 C5 C6 C7 178.4(4) . .
C2A C3A C6A C11A -53.3(4) . .
P4A C3A C6A C11A 71.2(4) . .
C2A C3A C6A C7A 120.8(3) . .
P4A C3A C6A C7A -114.6(3) . .
C5 C6 C7 C8 -0.3(7) . .
C11A C6A C7A C8A -0.4(5) . .
C3A C6A C7A C8A -174.8(3) . .
C6 C7 C8 C9 -0.1(7) . .
C6A C7A C8A C9A -1.0(6) . .
C7 C8 C9 C10 0.5(7) . .
C7A C8A C9A C10A 0.5(6) . .
C8 C9 C10 C5 -0.4(7) . .
C6 C5 C10 C9 -0.1(6) . .
C3 C5 C10 C9 -178.1(4) . .
C8A C9A C10A C11A 1.6(6) . .
C9A C10A C11A C6A -3.1(6) . .
C7A C6A C11A C10A 2.5(5) . .
C3A C6A C11A C10A 176.7(3) . .
C17 C11 C12 C14 0.3(6) . .
P4 C11 C12 C14 -172.1(3) . .
C17A C12A C13A C14A -1.5(6) . .
P4A C12A C13A C14A -173.4(3) . .
C11 C12 C14 C15 0.3(7) . .
C12A C13A C14A C15A 1.8(7) . .
C12 C14 C15 C16 -1.6(8) . .
C13A C14A C15A C16A -1.3(7) . .
C14 C15 C16 C17 2.3(8) . .
C14A C15A C16A C17A 0.5(7) . .
C15 C16 C17 C11 -1.7(7) . .
C12 C11 C17 C16 0.4(6) . .
P4 C11 C17 C16 172.8(3) . .
C13A C12A C17A C16A 0.8(6) . .
P4A C12A C17A C16A 172.6(3) . .
C15A C16A C17A C12A -0.3(6) . .
C23 C18 C19 C20 0.3(6) . .
P4 C18 C19 C20 -170.1(3) . .
C23A C18A C19A C20A -2.0(6) . .
P4A C18A C19A C20A -177.7(3) . .
C18 C19 C20 C21 1.1(7) . .
C18A C19A C20A C21A 1.7(6) . .
C19 C20 C21 C22 -2.3(8) . .
C19A C20A C21A C22A -0.8(6) . .
C20 C21 C22 C23 2.2(8) . .
C20A C21A C22A C23A 0.2(7) . .
C21 C22 C23 C18 -0.8(7) . .
C19 C18 C23 C22 -0.5(6) . .
P4 C18 C23 C22 170.2(4) . .
C21A C22A C23A C18A -0.6(7) . .
C19A C18A C23A C22A 1.4(6) . .
P4A C18A C23A C22A 177.1(3) . .
C29 C24 C25 C26 -1.4(6) . .
P4 C24 C25 C26 -177.4(3) . .
C29A C24A C25A C26A 1.5(6) . .
P4A C24A C25A C26A 177.2(3) . .
C24 C25 C26 C27 1.6(7) . .
C24A C25A C26A C27A -1.2(8) . .
C25 C26 C27 C28 -0.8(7) . .
C25A C26A C27A C28A 0.7(9) . .
C26 C27 C28 C29 -0.1(7) . .
C26A C27A C28A C29A -0.6(9) . .
C27 C28 C29 C24 0.3(6) . .
C25 C24 C29 C28 0.6(6) . .
P4 C24 C29 C28 176.5(3) . .
C27A C28A C29A C24A 0.9(8) . .
C25A C24A C29A C28A -1.4(6) . .
P4A C24A C29A C28A -177.1(3) . .
O2 C1 O1 Cu1 2.0(5) . .
C2 C1 O1 Cu1 179.1(2) . .
O2 Cu1 O1 C1 2.2(6) 2_545 .
O2B Cu1 O1 C1 -82.2(3) 2_545 .
O1B Cu1 O1 C1 83.3(3) . .
O1A Cu1 O1 C1 -176.3(3) . .
Cu1 Cu1 O1 C1 -0.4(3) 2_545 .
O2A C1A O1A Cu1 -5.9(6) . .
C2A C1A O1A Cu1 174.7(2) . .
O2 Cu1 O1A C1A 30.6(4) 2_545 .
O2B Cu1 O1A C1A 119.1(4) 2_545 .
O1B Cu1 O1A C1A -62.1(4) . .
O1 Cu1 O1A C1A -149.8(4) . .
Cu1 Cu1 O1A C1A -162.3(3) 2_545 .
O1 C1 O2 Cu1 -2.5(5) . 2_545
C2 C1 O2 Cu1 -179.6(2) . 2_545
O2 Cu1 O1B C1B 98.8(3) 2_545 .
O2B Cu1 O1B C1B 22.4(6) 2_545 .
O1 Cu1 O1B C1B -67.7(3) . .
O1A Cu1 O1B C1B -152.9(3) . .
Cu1 Cu1 O1B C1B 8.7(3) 2_545 .
C17 C11 P4 C18 145.6(3) . .
C12 C11 P4 C18 -42.1(4) . .
C17 C11 P4 C24 27.3(4) . .
C12 C11 P4 C24 -160.4(3) . .
C17 C11 P4 C3 -90.0(3) . .
C12 C11 P4 C3 82.4(3) . .
C23 C18 P4 C11 167.4(3) . .
C19 C18 P4 C11 -22.2(4) . .
C23 C18 P4 C24 -71.8(3) . .
C19 C18 P4 C24 98.7(3) . .
C23 C18 P4 C3 45.6(4) . .
C19 C18 P4 C3 -144.0(3) . .
C25 C24 P4 C11 -140.1(3) . .
C29 C24 P4 C11 44.0(3) . .
C25 C24 P4 C18 98.7(3) . .
C29 C24 P4 C18 -77.3(3) . .
C25 C24 P4 C3 -22.3(3) . .
C29 C24 P4 C3 161.8(3) . .
C5 C3 P4 C11 -66.9(3) . .
C2 C3 P4 C11 59.2(3) . .
C5 C3 P4 C18 56.7(3) . .
C2 C3 P4 C18 -177.2(2) . .
C5 C3 P4 C24 173.6(2) . .
C2 C3 P4 C24 -60.3(3) . .
C13A C12A P4A C24A -34.7(3) . .
C17A C12A P4A C24A 153.6(3) . .
C13A C12A P4A C18A 83.6(3) . .
C17A C12A P4A C18A -88.2(3) . .
C13A C12A P4A C3A -157.6(3) . .
C17A C12A P4A C3A 30.7(3) . .
C25A C24A P4A C12A 154.3(3) . .
C29A C24A P4A C12A -30.0(3) . .
C25A C24A P4A C18A 37.4(3) . .
C29A C24A P4A C18A -146.9(3) . .
C25A C24A P4A C3A -82.5(3) . .
C29A C24A P4A C3A 93.1(3) . .
C23A C18A P4A C12A -87.9(3) . .
C19A C18A P4A C12A 87.7(3) . .
C23A C18A P4A C24A 31.3(3) . .
C19A C18A P4A C24A -153.1(3) . .
C23A C18A P4A C3A 152.1(3) . .
C19A C18A P4A C3A -32.3(3) . .
C6A C3A P4A C12A 62.7(3) . .
C2A C3A P4A C12A -171.8(2) . .
C6A C3A P4A C24A -60.1(3) . .
C2A C3A P4A C24A 65.4(3) . .
C6A C3A P4A C18A -179.9(2) . .
C2A C3A P4A C18A -54.5(3) . .
Cu1 O2B C1B O1B 7.7(6) 2_545 .
Cu1 O2B C1B C2C -177.4(6) 2_545 .
Cu1 O2B C1B C2B -168.9(4) 2_545 .
Cu1 O1B C1B O2B -12.4(5) . .
Cu1 O1B C1B C2C 171.4(5) . .
Cu1 O1B C1B C2B 163.2(5) . .
O2B C1B C2C C3C 17.5(13) . .
O1B C1B C2C C3C -166.8(8) . .
C2B C1B C2C C3C 0.9(9) . .
C1B C2C C3C C4C 175.0(8) . .
C2C C3C C4C C9C -13.6(18) . .
C2C C3C C4C C5C 166.1(13) . .
C9C C4C C5C C6C -1.2(17) . .
C3C C4C C5C C6C 179.1(15) . .
C4C C5C C6C C7C 0(2) . .
C5C C6C C7C C8C 0(5) . .
C6C C7C C8C C9C 2(5) . .
C7C C8C C9C C4C -3(4) . .
C5C C4C C9C C8C 3(3) . .
C3C C4C C9C C8C -177.7(17) . .
O2B C1B C2B C3B -178.3(7) . .
O1B C1B C2B C3B 5.3(12) . .
C2C C1B C2B C3B -10.6(10) . .
C1B C2B C3B C4B -179.0(7) . .
C2B C3B C4B C9B 175.0(11) . .
C2B C3B C4B C5B -5.4(15) . .
C9B C4B C5B C6B -0.4(13) . .
C3B C4B C5B C6B 179.9(12) . .
C4B C5B C6B C7B -0.5(19) . .
C5B C6B C7B C8B 1(4) . .
C6B C7B C8B C9B -1(4) . .
C5B C4B C9B C8B 1(2) . .
C3B C4B C9B C8B -179.7(15) . .
C7B C8B C9B C4B 0(3) . .
