#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:04:04 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178547 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/54/4065436.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_4065436
loop_
_publ_author_name
'Lal, Steven'
'McNally, Jayne'
'White, Andrew J. P.'
'Díez-González, Silvia'
_publ_section_title
;
 Novel Phosphinite and Phosphonite Copper(I) Complexes: Efficient
 Catalysts for Click Azide--Alkyne Cycloaddition Reactions
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              6225
_journal_paper_doi               10.1021/om200791u
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C76 H68 Br4 Cu4 O8 P4'
_chemical_formula_sum            'C76 H68 Br4 Cu4 O8 P4'
_chemical_formula_weight         1806.98
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 110.447(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.3773(4)
_cell_length_b                   16.4639(3)
_cell_length_c                   24.1055(6)
_cell_measurement_reflns_used    16129
_cell_measurement_temperature    173
_cell_measurement_theta_max      31.2936
_cell_measurement_theta_min      3.2430
_cell_volume                     7205.8(3)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd'
_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      173
_diffrn_detector_area_resol_mean 15.9825
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.897
_diffrn_measurement_device_type  'OD Xcalibur 3'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0256
_diffrn_reflns_av_sigmaI/netI    0.0329
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            36219
_diffrn_reflns_theta_full        29.50
_diffrn_reflns_theta_max         31.36
_diffrn_reflns_theta_min         3.25
_exptl_absorpt_coefficient_mu    3.527
_exptl_absorpt_correction_T_max  0.670
_exptl_absorpt_correction_T_min  0.452
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
; 
CrysAlisPro, Oxford Diffraction Ltd., 
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET) 
(compiled Oct 25 2010,18:11:34) 
Analytical numeric absorption correction using a multifaceted crystal 
model based on expressions derived by R.C. Clark & J.S. Reid. 
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) 
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.666
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             3616
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.570
_refine_diff_density_min         -0.609
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     447
_refine_ls_number_reflns         10649
_refine_ls_number_restraints     26
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0566
_refine_ls_R_factor_gt           0.0345
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0422P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0798
_refine_ls_wR_factor_ref         0.0856
_reflns_number_gt                8014
_reflns_number_total             10649
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200791u_si_001.cif
_cod_data_source_block           19
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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      C2/c
_cod_database_code               4065436
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Cu1 Cu 0.57901(3) 0.70676(6) 0.23192(11) 0.0359(3) Uani 0.917(9) 1 d PU 1
Cu1' Cu 0.5803(3) 0.7141(4) 0.2151(7) 0.0273(16) Uiso 0.083(9) 1 d PU 2
Cu2 Cu 0.456886(15) 0.847157(19) 0.182445(13) 0.03469(8) Uani 1 1 d . .
Br1 Br 0.448800(11) 0.693303(14) 0.166571(10) 0.03016(6) Uani 1 1 d . .
Br2 Br 0.594937(11) 0.858576(14) 0.236588(10) 0.02940(6) Uani 1 1 d . .
P1 P 0.67104(3) 0.62989(4) 0.23070(3) 0.02796(12) Uani 1 1 d . .
O2 O 0.70510(8) 0.63459(10) 0.17737(7) 0.0364(4) Uani 1 1 d . .
C3 C 0.66529(12) 0.62621(15) 0.11727(10) 0.0334(5) Uani 1 1 d . .
C4 C 0.59070(12) 0.61361(15) 0.09264(10) 0.0346(5) Uani 1 1 d . .
H4A H 0.5621 0.6081 0.1174 0.041 Uiso 1 1 calc R .
C5 C 0.55705(13) 0.60898(15) 0.03150(11) 0.0357(5) Uani 1 1 d . .
H5A H 0.5055 0.5998 0.0147 0.043 Uiso 1 1 calc R .
C6 C 0.59748(14) 0.61748(17) -0.00490(11) 0.0428(6) Uani 1 1 d . .
C7 C 0.67344(15) 0.6306(2) 0.02064(12) 0.0573(8) Uani 1 1 d . .
H7A H 0.7021 0.6369 -0.0040 0.069 Uiso 1 1 calc R .
C8 C 0.70652(14) 0.63432(19) 0.08044(12) 0.0510(8) Uani 1 1 d . .
H8A H 0.7582 0.6425 0.0973 0.061 Uiso 1 1 calc R .
O9 O 0.57008(10) 0.61468(14) -0.06560(8) 0.0595(6) Uani 1 1 d . .
C10 C 0.49383(15) 0.6006(2) -0.09343(12) 0.0587(8) Uani 1 1 d . .
H10A H 0.4806 0.5493 -0.0790 0.088 Uiso 1 1 calc R .
H10B H 0.4818 0.5974 -0.1364 0.088 Uiso 1 1 calc R .
H10C H 0.4662 0.6452 -0.0842 0.088 Uiso 1 1 calc R .
C11 C 0.65898(11) 0.52174(14) 0.23718(10) 0.0303(5) Uani 1 1 d . .
C12 C 0.60665(14) 0.49373(16) 0.25885(13) 0.0469(7) Uani 1 1 d . .
H12A H 0.5745 0.5313 0.2674 0.056 Uiso 1 1 calc R .
C13 C 0.60006(17) 0.41248(19) 0.26831(15) 0.0622(8) Uani 1 1 d . .
H13A H 0.5645 0.3946 0.2846 0.075 Uiso 1 1 calc R .
C14 C 0.64369(16) 0.35722(17) 0.25476(14) 0.0548(7) Uani 1 1 d . .
H14A H 0.6386 0.3010 0.2612 0.066 Uiso 1 1 calc R .
C15 C 0.69466(18) 0.38327(18) 0.23184(17) 0.0678(9) Uani 1 1 d . .
H15A H 0.7251 0.3449 0.2219 0.081 Uiso 1 1 calc R .
C16 C 0.70248(16) 0.46462(17) 0.22297(15) 0.0588(8) Uani 1 1 d . .
H16A H 0.7383 0.4819 0.2068 0.071 Uiso 1 1 calc R .
C17 C 0.75708(12) 0.65212(13) 0.29000(10) 0.0285(5) Uani 1 1 d . .
C18 C 0.82507(13) 0.62583(17) 0.28916(11) 0.0412(6) Uani 1 1 d . .
H18A H 0.8271 0.5946 0.2566 0.049 Uiso 1 1 calc R .
C19 C 0.88936(13) 0.64438(17) 0.33464(12) 0.0455(7) Uani 1 1 d . .
H19A H 0.9352 0.6269 0.3328 0.055 Uiso 1 1 calc R .
C20 C 0.88757(14) 0.68783(16) 0.38250(12) 0.0450(6) Uani 1 1 d . .
H20A H 0.9319 0.6999 0.4142 0.054 Uiso 1 1 calc R .
C21 C 0.82017(15) 0.71408(18) 0.38424(13) 0.0500(7) Uani 1 1 d . .
H21A H 0.8183 0.7444 0.4172 0.060 Uiso 1 1 calc R .
C22 C 0.75618(14) 0.69621(15) 0.33833(12) 0.0409(6) Uani 1 1 d . .
H22A H 0.7105 0.7146 0.3400 0.049 Uiso 1 1 calc R .
P31 P 0.40758(3) 0.92362(4) 0.10481(2) 0.02667(12) Uani 1 1 d . .
O32 O 0.44030(8) 0.91456(10) 0.05104(6) 0.0326(4) Uani 1 1 d . .
C33 C 0.51733(12) 0.91046(15) 0.06607(10) 0.0322(5) Uani 1 1 d . .
C34 C 0.55792(13) 0.98024(16) 0.07253(12) 0.0434(6) Uani 1 1 d . .
H34A H 0.5343 1.0315 0.0689 0.052 Uiso 1 1 calc R .
C35 C 0.63295(13) 0.97674(19) 0.08428(12) 0.0513(7) Uani 1 1 d . .
H35A H 0.6611 1.0252 0.0894 0.062 Uiso 1 1 calc R .
C36 C 0.66620(14) 0.90207(19) 0.08839(11) 0.0482(7) Uani 1 1 d D .
C37 C 0.62480(17) 0.8320(2) 0.08124(15) 0.0651(10) Uani 1 1 d . .
H37A H 0.6480 0.7806 0.0838 0.078 Uiso 1 1 calc R .
C38 C 0.55006(17) 0.83592(17) 0.07036(14) 0.0565(9) Uani 1 1 d . .
H38A H 0.5218 0.7876 0.0659 0.068 Uiso 1 1 calc R .
O39 O 0.74029(10) 0.89575(14) 0.09741(9) 0.0609(6) Uani 1 1 d D .
C40 C 0.7824(2) 0.9693(3) 0.09455(19) 0.0619(14) Uani 0.715(5) 1 d PDU 1
H40A H 0.7597 0.9955 0.0559 0.093 Uiso 0.715(5) 1 calc PR 1
H40B H 0.8333 0.9543 0.0999 0.093 Uiso 0.715(5) 1 calc PR 1
H40C H 0.7823 1.0071 0.1259 0.093 Uiso 0.715(5) 1 calc PR 1
C40' C 0.7700(5) 0.8163(6) 0.0962(5) 0.052(3) Uiso 0.285(5) 1 d PDU 2
H40D H 0.7562 0.7804 0.1230 0.079 Uiso 0.285(5) 1 calc PR 2
H40E H 0.8238 0.8196 0.1089 0.079 Uiso 0.285(5) 1 calc PR 2
H40F H 0.7502 0.7945 0.0558 0.079 Uiso 0.285(5) 1 calc PR 2
C41 C 0.31061(11) 0.90199(19) 0.06295(13) 0.0322(14) Uani 0.676(5) 1 d PGU 1
C42 C 0.29314(14) 0.8477(2) 0.01590(15) 0.0682(18) Uani 0.676(5) 1 d PG 1
H42A H 0.3313 0.8216 0.0064 0.082 Uiso 0.676(5) 1 calc PR 1
C43 C 0.21985(16) 0.8315(3) -0.01719(14) 0.087(2) Uani 0.676(5) 1 d PG 1
H43A H 0.2079 0.7944 -0.0493 0.104 Uiso 0.676(5) 1 calc PR 1
C44 C 0.16404(11) 0.8697(2) -0.00324(14) 0.0614(16) Uani 0.676(5) 1 d PGU 1
H44A H 0.1139 0.8587 -0.0259 0.074 Uiso 0.676(5) 1 calc PR 1
C45 C 0.18151(13) 0.92404(19) 0.04380(17) 0.0508(12) Uani 0.676(5) 1 d PG 1
H45A H 0.1434 0.9501 0.0533 0.061 Uiso 0.676(5) 1 calc PR 1
C46 C 0.25480(15) 0.94018(18) 0.07690(15) 0.0450(10) Uani 0.676(5) 1 d PG 1
H46A H 0.2667 0.9773 0.1090 0.054 Uiso 0.676(5) 1 calc PR 1
C41' C 0.3126(2) 0.9128(4) 0.0586(2) 0.023(2) Uiso 0.324(5) 1 d PGU 2
C42' C 0.2862(3) 0.9133(5) -0.0030(2) 0.050(2) Uiso 0.324(5) 1 d PG 2
H42B H 0.3195 0.9191 -0.0238 0.060 Uiso 0.324(5) 1 calc PR 2
C43' C 0.2112(3) 0.9052(5) -0.0340(2) 0.064(3) Uiso 0.324(5) 1 d PG 2
H43B H 0.1931 0.9055 -0.0761 0.076 Uiso 0.324(5) 1 calc PR 2
C44' C 0.1625(2) 0.8967(5) -0.0036(3) 0.044(3) Uiso 0.324(5) 1 d PGU 2
H44B H 0.1112 0.8912 -0.0248 0.053 Uiso 0.324(5) 1 calc PR 2
C45' C 0.1889(3) 0.8963(5) 0.0580(3) 0.052(3) Uiso 0.324(5) 1 d PG 2
H45B H 0.1557 0.8905 0.0788 0.063 Uiso 0.324(5) 1 calc PR 2
C46' C 0.2639(3) 0.9044(5) 0.0890(2) 0.040(2) Uiso 0.324(5) 1 d PG 2
H46B H 0.2820 0.9041 0.1311 0.048 Uiso 0.324(5) 1 calc PR 2
C47 C 0.40880(11) 1.03273(13) 0.11719(9) 0.0263(4) Uani 1 1 d . .
C48 C 0.39826(12) 1.08781(14) 0.07100(10) 0.0317(5) Uani 1 1 d . .
H48A H 0.3897 1.0682 0.0321 0.038 Uiso 1 1 calc R .
C49 C 0.40015(13) 1.16947(15) 0.08090(11) 0.0383(6) Uani 1 1 d . .
H49A H 0.3942 1.2061 0.0491 0.046 Uiso 1 1 calc R .
C50 C 0.41066(15) 1.19922(16) 0.13669(12) 0.0443(6) Uani 1 1 d . .
H50A H 0.4113 1.2562 0.1433 0.053 Uiso 1 1 calc R .
C51 C 0.42023(15) 1.14564(17) 0.18321(12) 0.0452(6) Uani 1 1 d . .
H51A H 0.4269 1.1659 0.2216 0.054 Uiso 1 1 calc R .
C52 C 0.42014(12) 1.06296(15) 0.17382(10) 0.0341(5) Uani 1 1 d . .
H52A H 0.4278 1.0265 0.2060 0.041 Uiso 1 1 calc R .
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'
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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
P1 Cu1 Br1 126.33(5) . .
P1 Cu1 Br2 119.06(6) . .
Br1 Cu1 Br2 101.50(4) . .
P1 Cu1 Br1 112.72(9) . 2_655
Br1 Cu1 Br1 95.05(6) . 2_655
Br2 Cu1 Br1 95.83(5) . 2_655
P1 Cu1' Br1 130.1(3) . .
P1 Cu1' Br2 124.3(3) . .
Br1 Cu1' Br2 105.4(2) . .
P31 Cu2 Br2 116.921(18) . 2_655
P31 Cu2 Br2 117.732(19) . .
Br2 Cu2 Br2 103.409(12) 2_655 .
P31 Cu2 Br1 117.25(2) . .
Br2 Cu2 Br1 99.863(12) 2_655 .
Br2 Cu2 Br1 98.544(12) . .
Cu1' Br1 Cu2 77.82(15) . .
Cu1 Br1 Cu2 79.66(2) . .
Cu1' Br1 Cu1 93.4(4) . 2_655
Cu1 Br1 Cu1 84.10(5) . 2_655
Cu2 Br1 Cu1 78.69(2) . 2_655
Cu1' Br2 Cu2 92.5(4) . 2_655
Cu2 Br2 Cu1 83.31(6) 2_655 .
Cu1' Br2 Cu2 78.16(15) . .
Cu2 Br2 Cu2 75.933(12) 2_655 .
Cu1 Br2 Cu2 79.212(16) . .
O2 P1 C11 102.34(9) . .
O2 P1 C17 95.60(9) . .
C11 P1 C17 103.96(10) . .
O2 P1 Cu1' 111.0(4) . .
C11 P1 Cu1' 121.6(2) . .
C17 P1 Cu1' 118.3(3) . .
O2 P1 Cu1 122.33(10) . .
C11 P1 Cu1 115.85(8) . .
C17 P1 Cu1 113.59(8) . .
C3 O2 P1 125.73(13) . .
C4 C3 O2 125.64(19) . .
C4 C3 C8 119.4(2) . .
O2 C3 C8 115.0(2) . .
C3 C4 C5 120.0(2) . .
C6 C5 C4 120.7(2) . .
O9 C6 C5 125.7(2) . .
O9 C6 C7 115.5(2) . .
C5 C6 C7 118.8(2) . .
C8 C7 C6 120.5(2) . .
C7 C8 C3 120.6(2) . .
C6 O9 C10 117.6(2) . .
C12 C11 C16 117.4(2) . .
C12 C11 P1 119.89(17) . .
C16 C11 P1 122.63(18) . .
C13 C12 C11 121.0(2) . .
C14 C13 C12 120.8(3) . .
C13 C14 C15 119.3(3) . .
C14 C15 C16 120.5(3) . .
C15 C16 C11 121.0(3) . .
C22 C17 C18 117.9(2) . .
C22 C17 P1 119.53(17) . .
C18 C17 P1 122.62(18) . .
C19 C18 C17 121.1(2) . .
C20 C19 C18 120.4(2) . .
C19 C20 C21 119.3(2) . .
C22 C21 C20 120.1(3) . .
C21 C22 C17 121.3(2) . .
O32 P31 C41' 95.5(2) . .
O32 P31 C47 103.51(9) . .
C41' P31 C47 98.7(2) . .
O32 P31 C41 98.78(11) . .
C47 P31 C41 103.56(12) . .
O32 P31 Cu2 116.90(6) . .
C41' P31 Cu2 121.5(2) . .
C47 P31 Cu2 116.91(7) . .
C41 P31 Cu2 114.75(11) . .
C33 O32 P31 117.99(13) . .
C38 C33 C34 120.7(2) . .
C38 C33 O32 118.9(2) . .
C34 C33 O32 120.2(2) . .
C33 C34 C35 120.6(2) . .
C36 C35 C34 119.0(3) . .
C35 C36 O39 121.0(3) . .
C35 C36 C37 120.0(2) . .
O39 C36 C37 118.9(2) . .
C38 C37 C36 120.6(3) . .
C33 C38 C37 119.0(3) . .
C36 O39 C40' 117.9(4) . .
C36 O39 C40 119.6(2) . .
C40' O39 C40 121.0(4) . .
C42 C41 C46 120.0 . .
C42 C41 P31 119.05(15) . .
C46 C41 P31 120.94(15) . .
C41 C42 C43 120.0 . .
C44 C43 C42 120.0 . .
C45 C44 C43 120.0 . .
C44 C45 C46 120.0 . .
C45 C46 C41 120.0 . .
C42' C41' C46' 120.0 . .
C42' C41' P31 125.2(3) . .
C46' C41' P31 114.8(3) . .
C41' C42' C43' 120.0 . .
C44' C43' C42' 120.0 . .
C43' C44' C45' 120.0 . .
C46' C45' C44' 120.0 . .
C45' C46' C41' 120.0 . .
C48 C47 C52 118.5(2) . .
C48 C47 P31 121.40(16) . .
C52 C47 P31 120.05(17) . .
C49 C48 C47 120.9(2) . .
C48 C49 C50 120.5(2) . .
C49 C50 C51 119.7(2) . .
C52 C51 C50 120.2(2) . .
C51 C52 C47 120.2(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 P1 2.1955(8) .
Cu1 Br1 2.4737(7) .
Cu1 Br2 2.5162(11) .
Cu1 Br1 2.692(3) 2_655
Cu1' P1 2.166(6) .
Cu1' Br1 2.429(6) .
Cu1' Br2 2.429(6) .
Cu2 P31 2.1796(6) .
Cu2 Br2 2.4945(3) 2_655
Cu2 Br2 2.5407(3) .
Cu2 Br1 2.5584(4) .
Br1 Cu1 2.692(3) 2_655
Br2 Cu2 2.4945(3) 2_655
P1 O2 1.6389(15) .
P1 C11 1.810(2) .
P1 C17 1.814(2) .
O2 C3 1.390(3) .
C3 C4 1.373(3) .
C3 C8 1.393(3) .
C4 C5 1.390(3) .
C5 C6 1.372(3) .
C6 O9 1.372(3) .
C6 C7 1.400(4) .
C7 C8 1.359(4) .
O9 C10 1.412(3) .
C11 C12 1.372(3) .
C11 C16 1.383(3) .
C12 C13 1.370(4) .
C13 C14 1.357(4) .
C14 C15 1.359(4) .
C15 C16 1.373(4) .
C17 C22 1.378(3) .
C17 C18 1.394(3) .
C18 C19 1.376(3) .
C19 C20 1.368(4) .
C20 C21 1.390(4) .
C21 C22 1.375(4) .
P31 O32 1.6367(14) .
P31 C41' 1.797(4) .
P31 C47 1.820(2) .
P31 C41 1.831(2) .
O32 C33 1.409(3) .
C33 C38 1.369(3) .
C33 C34 1.370(3) .
C34 C35 1.382(3) .
C35 C36 1.375(4) .
C36 O39 1.379(3) .
C36 C37 1.381(4) .
C37 C38 1.380(4) .
O39 C40' 1.434(8) .
O39 C40 1.476(5) .
C41 C42 1.3900 .
C41 C46 1.3900 .
C42 C43 1.3900 .
C43 C44 1.3900 .
C44 C45 1.3900 .
C45 C46 1.3900 .
C41' C42' 1.3900 .
C41' C46' 1.3900 .
C42' C43' 1.3900 .
C43' C44' 1.3900 .
C44' C45' 1.3900 .
C45' C46' 1.3900 .
C47 C48 1.395(3) .
C47 C52 1.396(3) .
C48 C49 1.364(3) .
C49 C50 1.378(3) .
C50 C51 1.387(4) .
C51 C52 1.380(3) .
