#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:49:18 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179991 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/85/7028598.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_7028598
loop_
_publ_author_name
'Naik, Susmita'
'Kumaravel, Maruthai'
'Mague, Joel T.'
'Balakrishna, Maravanji S.'
_publ_section_title
;
 Bisamino(diphosphonite) with dangling olefin functionalities: synthesis,
 metal chemistry and catalytic utility of Rh(I) and Pd(II) complexes in
 hydroformylation and Suzuki-Miyaura reactions.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1082
_journal_page_last               1095
_journal_paper_doi               10.1039/c3dt52400k
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C86 H88 Cu4 I4 N6 O8 P4, 2(C2 H3 N)'
_chemical_formula_sum            'C90 H94 Cu4 I4 N8 O8 P4'
_chemical_formula_weight         2301.37
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.788(2)
_cell_angle_beta                 104.252(2)
_cell_angle_gamma                104.309(2)
_cell_formula_units_Z            1
_cell_length_a                   10.583(2)
_cell_length_b                   14.336(3)
_cell_length_c                   17.250(3)
_cell_measurement_reflns_used    9599
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.03
_cell_measurement_theta_min      2.58
_cell_volume                     2370.6(8)
_computing_cell_refinement       'Bruker SAINT (Bruker-AXS 2009a)'
_computing_data_collection       'Bruker APEX2 (Bruker-AXS, 2009)'
_computing_data_reduction        'Bruker SAINT (Bruker-AXS 2009a)'
_computing_molecular_graphics    'Bruker SHELXTL(Bruker-AXS 2008)'
_computing_publication_material  'Bruker SHELXTL(Bruker-AXS 2008)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker Smart APEX CCD'
_diffrn_measurement_method       'φ and ω 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  0.0356
_diffrn_reflns_av_sigmaI/netI    0.0296
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            41560
_diffrn_reflns_theta_full        28.12
_diffrn_reflns_theta_max         28.12
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    2.311
_exptl_absorpt_correction_T_max  0.7802
_exptl_absorpt_correction_T_min  0.5147
_exptl_absorpt_correction_type   'integration numerical Gaussian'
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008a)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.612
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1142
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.11
_refine_diff_density_max         2.013
_refine_diff_density_min         -2.149
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         11466
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0418
_refine_ls_R_factor_gt           0.0364
_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)+(0.0500P)²+5.7981P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0987
_refine_ls_wR_factor_ref         0.1031
_reflns_number_gt                10156
_reflns_number_total             11466
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt52400k.txt
_cod_data_source_block           msb435_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        2370.7(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7028598
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
I1 I 0.10096(2) 0.247393(15) 0.423791(12) 0.02423(6) Uani 1 1 d . . .
I2 I 0.48108(2) 0.224824(18) 0.401608(15) 0.03220(7) Uani 1 1 d . . .
Cu1 Cu 0.27602(4) 0.29176(3) 0.33796(2) 0.01923(9) Uani 1 1 d . . .
Cu2 Cu 0.22989(4) 0.11477(3) 0.37515(2) 0.02309(9) Uani 1 1 d . . .
P1 P 0.16029(8) 0.22569(5) 0.20585(4) 0.01461(14) Uani 1 1 d . . .
P2 P 0.13002(8) 0.03341(5) 0.24347(4) 0.01490(14) Uani 1 1 d . . .
O1 O 0.2262(2) 0.26692(15) 0.13813(13) 0.0177(4) Uani 1 1 d . . .
O2 O 0.0078(2) 0.23393(15) 0.16895(13) 0.0175(4) Uani 1 1 d . . .
O3 O -0.0326(2) -0.02955(15) 0.21406(13) 0.0162(4) Uani 1 1 d . . .
O4 O 0.1937(2) -0.04906(16) 0.20298(13) 0.0195(4) Uani 1 1 d . . .
N1 N 0.1209(3) 0.10023(18) 0.17166(15) 0.0157(5) Uani 1 1 d . . .
N2 N 0.3711(3) 0.4375(2) 0.37120(18) 0.0264(6) Uani 1 1 d . . .
N3 N 0.2398(3) 0.0343(2) 0.45720(18) 0.0307(7) Uani 1 1 d . . .
C1 C 0.3661(3) 0.3222(2) 0.16176(18) 0.0179(6) Uani 1 1 d . . .
C2 C 0.4649(3) 0.2775(2) 0.1885(2) 0.0234(6) Uani 1 1 d . . .
H2 H 0.4388 0.2104 0.1917 0.028 Uiso 1 1 calc R . .
C3 C 0.6024(4) 0.3319(3) 0.2104(2) 0.0287(7) Uani 1 1 d . . .
H3 H 0.6710 0.3022 0.2292 0.034 Uiso 1 1 calc R . .
C4 C 0.6393(4) 0.4295(3) 0.2048(3) 0.0350(8) Uani 1 1 d . . .
H4 H 0.7334 0.4669 0.2197 0.042 Uiso 1 1 calc R . .
C5 C 0.5380(4) 0.4729(3) 0.1773(3) 0.0326(8) Uani 1 1 d . . .
H5 H 0.5642 0.5400 0.1738 0.039 Uiso 1 1 calc R . .
C6 C 0.3994(3) 0.4198(2) 0.1548(2) 0.0225(6) Uani 1 1 d . . .
C7 C 0.2879(3) 0.4659(2) 0.1259(2) 0.0281(7) Uani 1 1 d . . .
H7A H 0.2210 0.4201 0.0736 0.034 Uiso 1 1 calc R . .
H7B H 0.2389 0.4715 0.1678 0.034 Uiso 1 1 calc R . .
C8 C 0.3369(4) 0.5668(3) 0.1117(3) 0.0336(8) Uani 1 1 d . . .
H8 H 0.3824 0.5717 0.0708 0.040 Uiso 1 1 calc R . .
C9 C 0.3219(4) 0.6483(3) 0.1510(3) 0.0406(10) Uani 1 1 d . . .
H9A H 0.2770 0.6465 0.1923 0.049 Uiso 1 1 calc R . .
H9B H 0.3560 0.7096 0.1384 0.049 Uiso 1 1 calc R . .
C10 C -0.0074(3) 0.3287(2) 0.16763(19) 0.0180(6) Uani 1 1 d . . .
C11 C 0.0266(3) 0.4010(2) 0.2418(2) 0.0226(6) Uani 1 1 d . . .
H11 H 0.0561 0.3862 0.2934 0.027 Uiso 1 1 calc R . .
C12 C 0.0168(3) 0.4957(2) 0.2391(2) 0.0271(7) Uani 1 1 d . . .
H12 H 0.0410 0.5465 0.2891 0.032 Uiso 1 1 calc R . .
C13 C -0.0288(4) 0.5154(3) 0.1629(2) 0.0294(7) Uani 1 1 d . . .
H13 H -0.0340 0.5802 0.1609 0.035 Uiso 1 1 calc R . .
C14 C -0.0666(3) 0.4410(3) 0.0898(2) 0.0261(7) Uani 1 1 d . . .
H14 H -0.1005 0.4549 0.0383 0.031 Uiso 1 1 calc R . .
C15 C -0.0558(3) 0.3457(2) 0.0904(2) 0.0200(6) Uani 1 1 d . . .
C16 C -0.0902(4) 0.2667(3) 0.0112(2) 0.0251(7) Uani 1 1 d . . .
H16A H -0.0179 0.2336 0.0163 0.030 Uiso 1 1 calc R . .
H16B H -0.0885 0.2994 -0.0344 0.030 Uiso 1 1 calc R . .
C17 C -0.2269(4) 0.1879(3) -0.0123(2) 0.0283(7) Uani 1 1 d . . .
H17 H -0.2531 0.1392 -0.0637 0.034 Uiso 1 1 calc R . .
C18 C -0.3139(4) 0.1794(3) 0.0305(3) 0.0342(8) Uani 1 1 d . . .
H18A H -0.2928 0.2262 0.0824 0.041 Uiso 1 1 calc R . .
H18B H -0.3979 0.1265 0.0098 0.041 Uiso 1 1 calc R . .
C19 C -0.0777(3) -0.1019(2) 0.25431(18) 0.0175(5) Uani 1 1 d . . .
C20 C -0.0758(3) -0.0723(2) 0.3362(2) 0.0223(6) Uani 1 1 d . . .
H20 H -0.0476 -0.0035 0.3643 0.027 Uiso 1 1 calc R . .
C21 C -0.1157(4) -0.1448(3) 0.3763(2) 0.0291(7) Uani 1 1 d . . .
H21 H -0.1140 -0.1256 0.4325 0.035 Uiso 1 1 calc R . .
C22 C -0.1579(4) -0.2447(3) 0.3347(2) 0.0292(7) Uani 1 1 d . . .
H22 H -0.1829 -0.2942 0.3626 0.035 Uiso 1 1 calc R . .
C23 C -0.1638(3) -0.2728(2) 0.2518(2) 0.0237(6) Uani 1 1 d . . .
H23 H -0.1959 -0.3417 0.2231 0.028 Uiso 1 1 calc R . .
C24 C -0.1235(3) -0.2018(2) 0.20986(19) 0.0188(6) Uani 1 1 d . . .
C25 C -0.1340(4) -0.2317(2) 0.1198(2) 0.0255(7) Uani 1 1 d . . .
H25A H -0.1165 -0.2968 0.1074 0.031 Uiso 1 1 calc R . .
H25B H -0.0619 -0.1818 0.1089 0.031 Uiso 1 1 calc R . .
C26 C -0.2709(4) -0.2402(3) 0.0624(2) 0.0367(9) Uani 1 1 d . . .
H26 H -0.2787 -0.2507 0.0052 0.044 Uiso 1 1 calc R . .
C27 C -0.3779(5) -0.2348(4) 0.0822(3) 0.0568(13) Uani 1 1 d . . .
H27A H -0.3758 -0.2244 0.1386 0.068 Uiso 1 1 calc R . .
H27B H -0.4596 -0.2413 0.0406 0.068 Uiso 1 1 calc R . .
C28 C 0.2880(3) -0.0841(2) 0.25371(19) 0.0192(6) Uani 1 1 d . A .
C29 C 0.2421(3) -0.1471(3) 0.3002(2) 0.0256(7) Uani 1 1 d . . .
H29 H 0.1485 -0.1657 0.2982 0.031 Uiso 1 1 calc R . .
C30 C 0.3352(4) -0.1826(3) 0.3498(2) 0.0310(8) Uani 1 1 d . . .
H30 H 0.3055 -0.2254 0.3820 0.037 Uiso 1 1 calc R . .
C31 C 0.4707(4) -0.1550(3) 0.3515(2) 0.0306(8) Uani 1 1 d . . .
H31 H 0.5349 -0.1774 0.3862 0.037 Uiso 1 1 calc R . .
C32 C 0.5132(3) -0.0947(2) 0.3026(2) 0.0263(7) Uani 1 1 d . A .
H32 H 0.6059 -0.0787 0.3027 0.032 Uiso 1 1 calc R . .
C33 C 0.4232(3) -0.0568(2) 0.2532(2) 0.0213(6) Uani 1 1 d . . .
C34 C 0.4713(3) 0.0112(3) 0.2021(2) 0.0307(8) Uani 0.50 1 d PD A 1
H34A H 0.4604 -0.0308 0.1468 0.037 Uiso 0.50 1 calc PR A 1
H34B H 0.4101 0.0530 0.1936 0.037 Uiso 0.50 1 calc PR A 1
C35 C 0.6146(4) 0.0779(5) 0.2368(4) 0.0272(10) Uani 0.50 1 d PD A 1
H35 H 0.6313 0.1326 0.2828 0.033 Uiso 0.50 1 calc PR A 1
C36 C 0.7210(9) 0.0721(8) 0.2131(10) 0.035(2) Uani 0.50 1 d PD A 1
H36A H 0.7116 0.0193 0.1675 0.042 Uiso 0.50 1 calc PR A 1
H36B H 0.8078 0.1206 0.2414 0.042 Uiso 0.50 1 calc PR A 1
C34A C 0.4713(3) 0.0112(3) 0.2021(2) 0.0307(8) Uani 0.50 1 d PD A 2
H34C H 0.4086 -0.0157 0.1445 0.037 Uiso 0.50 1 calc PR A 2
H34D H 0.4630 0.0775 0.2241 0.037 Uiso 0.50 1 calc PR A 2
C35A C 0.6148(5) 0.0251(5) 0.1994(4) 0.0272(10) Uani 0.50 1 d PD A 2
H35A H 0.6294 -0.0310 0.1680 0.033 Uiso 0.50 1 calc PR A 2
C36A C 0.7225(8) 0.1034(6) 0.2342(10) 0.035(2) Uani 0.50 1 d PD A 2
H36C H 0.7153 0.1621 0.2665 0.042 Uiso 0.50 1 calc PR A 2
H36D H 0.8083 0.1018 0.2272 0.042 Uiso 0.50 1 calc PR A 2
C37 C 0.0583(3) 0.0493(2) 0.08377(17) 0.0156(5) Uani 1 1 d . . .
C38 C 0.1419(3) 0.0359(2) 0.03427(18) 0.0170(5) Uani 1 1 d . . .
H38 H 0.2387 0.0608 0.0578 0.020 Uiso 1 1 calc R . .
C39 C 0.0840(3) -0.0137(2) -0.04944(18) 0.0176(5) Uani 1 1 d . . .
H39 H 0.1410 -0.0233 -0.0831 0.021 Uiso 1 1 calc R . .
C40 C 0.4354(4) 0.5170(3) 0.3791(2) 0.0296(7) Uani 1 1 d . . .
C41 C 0.5166(6) 0.6189(3) 0.3890(3) 0.0567(13) Uani 1 1 d . . .
H41A H 0.5103 0.6308 0.3343 0.085 Uiso 1 1 calc R . .
H41B H 0.6125 0.6289 0.4191 0.085 Uiso 1 1 calc R . .
H41C H 0.4817 0.6655 0.4203 0.085 Uiso 1 1 calc R . .
C42 C 0.2387(4) -0.0259(3) 0.4920(2) 0.0287(7) Uani 1 1 d . . .
C43 C 0.2351(4) -0.1049(3) 0.5346(3) 0.0353(8) Uani 1 1 d . . .
H43A H 0.2107 -0.0860 0.5852 0.053 Uiso 1 1 calc R . .
H43B H 0.3255 -0.1149 0.5490 0.053 Uiso 1 1 calc R . .
H43C H 0.1667 -0.1670 0.4981 0.053 Uiso 1 1 calc R . .
N4 N 0.8573(6) 0.3734(4) 0.5537(3) 0.0702(15) Uani 1 1 d . . .
C44 C 0.8326(6) 0.4050(4) 0.5063(4) 0.0638(15) Uani 1 1 d . . .
C45 C 0.8045(8) 0.4533(5) 0.4351(5) 0.105(3) Uani 1 1 d . . .
H45A H 0.8188 0.5244 0.4573 0.158 Uiso 1 1 calc R . .
H45B H 0.7097 0.4210 0.3994 0.158 Uiso 1 1 calc R . .
H45C H 0.8671 0.4454 0.4026 0.158 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'
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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
Cu1 I1 Cu2 59.768(15) . .
Cu2 I2 Cu1 61.337(18) . .
N2 Cu1 P1 116.12(9) . .
N2 Cu1 I2 100.68(9) . .
P1 Cu1 I2 117.46(3) . .
N2 Cu1 I1 110.35(9) . .
P1 Cu1 I1 107.12(3) . .
I2 Cu1 I1 104.450(19) . .
N2 Cu1 Cu2 149.74(9) . .
P1 Cu1 Cu2 93.80(2) . .
I2 Cu1 Cu2 58.420(15) . .
I1 Cu1 Cu2 61.072(13) . .
N3 Cu2 P2 117.28(9) . .
N3 Cu2 I2 106.07(10) . .
P2 Cu2 I2 111.75(3) . .
N3 Cu2 Cu1 151.06(9) . .
P2 Cu2 Cu1 91.65(3) . .
I2 Cu2 Cu1 60.242(14) . .
N3 Cu2 I1 105.62(10) . .
P2 Cu2 I1 110.79(3) . .
I2 Cu2 I1 104.37(2) . .
Cu1 Cu2 I1 59.160(16) . .
O2 P1 O1 97.71(11) . .
O2 P1 N1 97.73(12) . .
O1 P1 N1 103.43(12) . .
O2 P1 Cu1 120.49(9) . .
O1 P1 Cu1 117.86(8) . .
N1 P1 Cu1 116.01(9) . .
O4 P2 O3 101.55(11) . .
O4 P2 N1 99.98(12) . .
O3 P2 N1 97.01(11) . .
O4 P2 Cu2 117.87(8) . .
O3 P2 Cu2 118.27(8) . .
N1 P2 Cu2 118.39(9) . .
C1 O1 P1 120.18(18) . .
C10 O2 P1 118.92(18) . .
C19 O3 P2 118.99(18) . .
C28 O4 P2 120.99(19) . .
C37 N1 P1 121.01(18) . .
C37 N1 P2 120.20(18) . .
P1 N1 P2 117.93(14) . .
C40 N2 Cu1 167.7(3) . .
C42 N3 Cu2 167.7(3) . .
C2 C1 C6 122.4(3) . .
C2 C1 O1 119.7(3) . .
C6 C1 O1 117.9(3) . .
C1 C2 C3 119.4(3) . .
C1 C2 H2 120.3 . .
C3 C2 H2 120.3 . .
C4 C3 C2 119.9(3) . .
C4 C3 H3 120.1 . .
C2 C3 H3 120.1 . .
C3 C4 C5 119.9(3) . .
C3 C4 H4 120.1 . .
C5 C4 H4 120.1 . .
C6 C5 C4 121.3(3) . .
C6 C5 H5 119.3 . .
C4 C5 H5 119.3 . .
C1 C6 C5 117.2(3) . .
C1 C6 C7 120.6(3) . .
C5 C6 C7 122.2(3) . .
C8 C7 C6 115.0(3) . .
C8 C7 H7A 108.5 . .
C6 C7 H7A 108.5 . .
C8 C7 H7B 108.5 . .
C6 C7 H7B 108.5 . .
H7A C7 H7B 107.5 . .
C9 C8 C7 125.1(4) . .
C9 C8 H8 117.5 . .
C7 C8 H8 117.5 . .
C8 C9 H9A 120.0 . .
C8 C9 H9B 120.0 . .
H9A C9 H9B 120.0 . .
C11 C10 C15 122.7(3) . .
C11 C10 O2 119.8(3) . .
C15 C10 O2 117.6(3) . .
C10 C11 C12 118.9(3) . .
C10 C11 H11 120.5 . .
C12 C11 H11 120.5 . .
C13 C12 C11 119.7(3) . .
C13 C12 H12 120.2 . .
C11 C12 H12 120.2 . .
C14 C13 C12 120.4(3) . .
C14 C13 H13 119.8 . .
C12 C13 H13 119.8 . .
C13 C14 C15 121.3(3) . .
C13 C14 H14 119.4 . .
C15 C14 H14 119.4 . .
C10 C15 C14 117.1(3) . .
C10 C15 C16 121.6(3) . .
C14 C15 C16 121.3(3) . .
C15 C16 C17 115.1(3) . .
C15 C16 H16A 108.5 . .
C17 C16 H16A 108.5 . .
C15 C16 H16B 108.5 . .
C17 C16 H16B 108.5 . .
H16A C16 H16B 107.5 . .
C18 C17 C16 126.9(3) . .
C18 C17 H17 116.5 . .
C16 C17 H17 116.5 . .
C17 C18 H18A 120.0 . .
C17 C18 H18B 120.0 . .
H18A C18 H18B 120.0 . .
C20 C19 C24 122.2(3) . .
C20 C19 O3 119.7(3) . .
C24 C19 O3 118.1(3) . .
C19 C20 C21 119.1(3) . .
C19 C20 H20 120.4 . .
C21 C20 H20 120.4 . .
C22 C21 C20 120.0(3) . .
C22 C21 H21 120.0 . .
C20 C21 H21 120.0 . .
C21 C22 C23 120.0(3) . .
C21 C22 H22 120.0 . .
C23 C22 H22 120.0 . .
C22 C23 C24 121.3(3) . .
C22 C23 H23 119.4 . .
C24 C23 H23 119.4 . .
C19 C24 C23 117.3(3) . .
C19 C24 C25 121.3(3) . .
C23 C24 C25 121.4(3) . .
C24 C25 C26 113.5(3) . .
C24 C25 H25A 108.9 . .
C26 C25 H25A 108.9 . .
C24 C25 H25B 108.9 . .
C26 C25 H25B 108.9 . .
H25A C25 H25B 107.7 . .
C27 C26 C25 127.0(4) . .
C27 C26 H26 116.5 . .
C25 C26 H26 116.5 . .
C26 C27 H27A 120.0 . .
C26 C27 H27B 120.0 . .
H27A C27 H27B 120.0 . .
C33 C28 C29 122.3(3) . .
C33 C28 O4 118.3(3) . .
C29 C28 O4 119.3(3) . .
C28 C29 C30 119.3(3) . .
C28 C29 H29 120.3 . .
C30 C29 H29 120.3 . .
C31 C30 C29 119.5(3) . .
C31 C30 H30 120.3 . .
C29 C30 H30 120.3 . .
C30 C31 C32 120.2(3) . .
C30 C31 H31 119.9 . .
C32 C31 H31 119.9 . .
C31 C32 C33 121.8(3) . .
C31 C32 H32 119.1 . .
C33 C32 H32 119.1 . .
C28 C33 C32 116.8(3) . .
C28 C33 C34 121.7(3) . .
C32 C33 C34 121.5(3) . .
C35 C34 C33 116.3(4) . .
C35 C34 H34A 108.2 . .
C33 C34 H34A 108.2 . .
C35 C34 H34B 108.2 . .
C33 C34 H34B 108.2 . .
H34A C34 H34B 107.4 . .
C36 C35 C34 128.9(7) . .
C36 C35 H35 115.5 . .
C34 C35 H35 115.5 . .
C35 C36 H36A 120.0 . .
C35 C36 H36B 120.0 . .
H36A C36 H36B 120.0 . .
C36A C35A H35A 115.5 . .
C35A C36A H36C 120.0 . .
C35A C36A H36D 120.0 . .
H36C C36A H36D 120.0 . .
C38 C37 C39 120.2(3) . 2
C38 C37 N1 119.4(3) . .
C39 C37 N1 120.4(3) 2 .
C39 C38 C37 120.2(3) . .
C39 C38 H38 119.9 . .
C37 C38 H38 119.9 . .
C38 C39 C37 119.6(3) . 2
C38 C39 H39 120.2 . .
C37 C39 H39 120.2 2 .
N2 C40 C41 179.5(5) . .
C40 C41 H41A 109.5 . .
C40 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C40 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
N3 C42 C43 178.5(4) . .
C42 C43 H43A 109.5 . .
C42 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C42 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
N4 C44 C45 176.6(8) . .
C44 C45 H45A 109.5 . .
C44 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
C44 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
I1 Cu1 2.6739(6) .
I1 Cu2 2.7257(6) .
I2 Cu2 2.6124(6) .
I2 Cu1 2.6621(6) .
Cu1 N2 1.983(3) .
Cu1 P1 2.1988(9) .
Cu1 Cu2 2.6907(7) .
Cu2 N3 1.986(3) .
Cu2 P2 2.2031(9) .
P1 O2 1.625(2) .
P1 O1 1.630(2) .
P1 N1 1.694(3) .
P2 O4 1.630(2) .
P2 O3 1.632(2) .
P2 N1 1.701(2) .
O1 C1 1.410(3) .
O2 C10 1.410(3) .
O3 C19 1.405(3) .
O4 C28 1.413(3) .
N1 C37 1.457(4) .
N2 C40 1.137(5) .
N3 C42 1.139(5) .
C1 C2 1.385(4) .
C1 C6 1.392(4) .
C2 C3 1.387(5) .
C2 H2 0.9500 .
C3 C4 1.385(5) .
C3 H3 0.9500 .
C4 C5 1.397(5) .
C4 H4 0.9500 .
C5 C6 1.393(5) .
C5 H5 0.9500 .
C6 C7 1.515(5) .
C7 C8 1.499(4) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C9 1.303(6) .
C8 H8 0.9500 .
C9 H9A 0.9500 .
C9 H9B 0.9500 .
C10 C11 1.390(4) .
C10 C15 1.394(4) .
C11 C12 1.396(5) .
C11 H11 0.9500 .
C12 C13 1.390(5) .
C12 H12 0.9500 .
C13 C14 1.388(5) .
C13 H13 0.9500 .
C14 C15 1.401(4) .
C14 H14 0.9500 .
C15 C16 1.502(5) .
C16 C17 1.504(5) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 C18 1.312(5) .
C17 H17 0.9500 .
C18 H18A 0.9500 .
C18 H18B 0.9500 .
C19 C20 1.390(4) .
C19 C24 1.391(4) .
C20 C21 1.391(4) .
C20 H20 0.9500 .
C21 C22 1.381(5) .
C21 H21 0.9500 .
C22 C23 1.393(5) .
C22 H22 0.9500 .
C23 C24 1.398(4) .
C23 H23 0.9500 .
C24 C25 1.501(4) .
C25 C26 1.501(5) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 C27 1.277(7) .
C26 H26 0.9500 .
C27 H27A 0.9500 .
C27 H27B 0.9500 .
C28 C33 1.390(5) .
C28 C29 1.392(4) .
C29 C30 1.400(5) .
C29 H29 0.9500 .
C30 C31 1.381(5) .
C30 H30 0.9500 .
C31 C32 1.388(5) .
C31 H31 0.9500 .
C32 C33 1.400(4) .
C32 H32 0.9500 .
C33 C34 1.510(4) .
C34 C35 1.482(4) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 C36 1.306(5) .
C35 H35 0.9500 .
C36 H36A 0.9500 .
C36 H36B 0.9500 .
C35A C36A 1.304(5) .
C35A H35A 0.9500 .
C36A H36C 0.9500 .
C36A H36D 0.9500 .
C37 C38 1.394(4) .
C37 C39 1.396(4) 2
C38 C39 1.390(4) .
C38 H38 0.9500 .
C39 C37 1.396(4) 2
C39 H39 0.9500 .
C40 C41 1.455(5) .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C42 C43 1.458(5) .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
N4 C44 1.017(8) .
C44 C45 1.522(11) .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
