#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/63/7026309.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_7026309
loop_
_publ_author_name
'Deng, Zhao-Peng'
'Qi, Hui-Ling'
'Huo, Li-Hua'
'Ng, Seik Weng'
'Zhao, Hui'
'Gao, Shan'
_publ_section_title
;
 Syntheses and structures of copper(I) complexes based on Cu(n)X(n) (X =
 Br and I; n = 1, 2 and 4) units and bis(pyridyl) ligands with longer
 flexible spacer.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10038
_journal_page_last               10050
_journal_paper_doi               10.1039/c0dt00336k
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C90 H78 Cu2 I2 N4 P4'
_chemical_formula_sum            'C90 H78 Cu2 I2 N4 P4'
_chemical_formula_weight         1720.32
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 93.91(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.212(3)
_cell_length_b                   21.848(4)
_cell_length_c                   14.014(3)
_cell_measurement_reflns_used    38965
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.44
_cell_measurement_theta_min      3.06
_cell_volume                     4035.8(15)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku Corporation, 1998)'
_computing_data_reduction
'CrystalStructure (Rigaku/MSC and Rigaku Corporation, 2002)'
_computing_molecular_graphics    SHELXL-97
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_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  0.0471
_diffrn_reflns_av_sigmaI/netI    0.0294
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            63151
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.06
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.418
_exptl_absorpt_correction_T_max  0.8482
_exptl_absorpt_correction_T_min  0.7744
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1740
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.868
_refine_diff_density_min         -1.932
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         9201
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0913
_refine_ls_R_factor_gt           0.0615
_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)+(0.1036P)²+7.9536P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1827
_refine_ls_wR_factor_ref         0.2118
_reflns_number_gt                6317
_reflns_number_total             9201
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00336k.txt
_cod_data_source_block           complex1
_cod_original_sg_symbol_Hall     '-P 2yn '
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_database_code               7026309
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
I1 I 0.83110(4) 0.20039(2) 0.53084(3) 0.06904(19) Uani 1 1 d .
Cu1 Cu 0.72508(5) 0.29462(3) 0.46813(4) 0.03875(18) Uani 1 1 d .
P1 P 0.56395(11) 0.29652(6) 0.52137(10) 0.0438(3) Uani 1 1 d .
P2 P 0.83670(10) 0.37441(6) 0.47994(9) 0.0391(3) Uani 1 1 d .
N1 N 0.6951(3) 0.27309(18) 0.3218(3) 0.0363(8) Uani 1 1 d .
N2 N 0.5968(4) 0.35539(19) 0.1068(3) 0.0451(10) Uani 1 1 d .
H2N H 0.5782 0.3477 0.0480 0.054 Uiso 1 1 calc R
C1 C 0.6789(5) 0.2155(2) 0.2929(4) 0.0468(12) Uani 1 1 d .
H1 H 0.6971 0.1838 0.3349 0.056 Uiso 1 1 calc R
C2 C 0.6367(6) 0.2014(2) 0.2041(5) 0.0592(16) Uani 1 1 d .
H2 H 0.6265 0.1608 0.1864 0.071 Uiso 1 1 calc R
C3 C 0.6093(5) 0.2479(3) 0.1404(4) 0.0532(14) Uani 1 1 d .
H3 H 0.5807 0.2385 0.0797 0.064 Uiso 1 1 calc R
C4 C 0.6245(4) 0.3085(2) 0.1675(3) 0.0392(10) Uani 1 1 d .
C5 C 0.6700(4) 0.3184(2) 0.2599(3) 0.0383(10) Uani 1 1 d .
H5 H 0.6835 0.3585 0.2791 0.046 Uiso 1 1 calc R
C6 C 0.5984(5) 0.4180(2) 0.1412(4) 0.0469(12) Uani 1 1 d .
H6A H 0.6681 0.4308 0.1555 0.056 Uiso 1 1 calc R
H6B H 0.5636 0.4203 0.1998 0.056 Uiso 1 1 calc R
C7 C 0.5481(4) 0.4609(2) 0.0680(3) 0.0429(11) Uani 1 1 d .
C8 C 0.6031(5) 0.4996(3) 0.0152(4) 0.0516(13) Uani 1 1 d .
H8 H 0.6735 0.5001 0.0245 0.062 Uiso 1 1 calc R
C9 C 0.4451(5) 0.4615(3) 0.0527(4) 0.0525(13) Uani 1 1 d .
H9 H 0.4063 0.4356 0.0882 0.063 Uiso 1 1 calc R
C10 C 0.4942(5) 0.2240(3) 0.5258(4) 0.0596(16) Uani 1 1 d .
C11 C 0.3895(6) 0.2189(4) 0.5068(6) 0.079(2) Uani 1 1 d .
H11 H 0.3513 0.2525 0.4852 0.095 Uiso 1 1 calc R
C12 C 0.3425(8) 0.1617(6) 0.5211(7) 0.107(4) Uani 1 1 d .
H12 H 0.2725 0.1585 0.5102 0.128 Uiso 1 1 calc R
C13 C 0.3957(12) 0.1123(6) 0.5497(9) 0.109(5) Uani 1 1 d .
H13 H 0.3630 0.0752 0.5580 0.153 Uiso 1 1 calc R
C14 C 0.4978(12) 0.1165(5) 0.5665(11) 0.091(5) Uani 1 1 d .
H14 H 0.5349 0.0820 0.5862 0.177 Uiso 1 1 calc R
C15 C 0.5482(7) 0.1726(4) 0.5546(7) 0.094(3) Uani 1 1 d .
H15 H 0.6183 0.1749 0.5662 0.113 Uiso 1 1 calc R
C16 C 0.5454(4) 0.3290(3) 0.6400(4) 0.0482(12) Uani 1 1 d .
C17 C 0.4605(5) 0.3193(3) 0.6887(4) 0.0593(15) Uani 1 1 d .
H17 H 0.4079 0.2955 0.6613 0.071 Uiso 1 1 calc R
C18 C 0.4523(6) 0.3449(3) 0.7787(5) 0.0654(17) Uani 1 1 d .
H18 H 0.3945 0.3373 0.8112 0.078 Uiso 1 1 calc R
C19 C 0.5254(6) 0.3799(4) 0.8192(5) 0.076(2) Uani 1 1 d .
H19 H 0.5186 0.3966 0.8794 0.091 Uiso 1 1 calc R
C20 C 0.6099(7) 0.3911(6) 0.7725(6) 0.115(4) Uani 1 1 d .
H20 H 0.6607 0.4164 0.7998 0.138 Uiso 1 1 calc R
C21 C 0.6203(7) 0.3643(5) 0.6823(6) 0.096(3) Uani 1 1 d .
H21 H 0.6794 0.3708 0.6512 0.116 Uiso 1 1 calc R
C22 C 0.4816(4) 0.3444(3) 0.4429(4) 0.0515(13) Uani 1 1 d .
C23 C 0.4558(5) 0.4037(3) 0.4677(5) 0.0629(16) Uani 1 1 d .
H23 H 0.4747 0.4186 0.5284 0.076 Uiso 1 1 calc R
C24 C 0.4013(6) 0.4406(4) 0.4012(6) 0.082(2) Uani 1 1 d .
H24 H 0.3834 0.4800 0.4188 0.099 Uiso 1 1 calc R
C25 C 0.3746(5) 0.4210(5) 0.3134(6) 0.085(3) Uani 1 1 d .
H25 H 0.3404 0.4470 0.2696 0.103 Uiso 1 1 calc R
C26 C 0.3979(5) 0.3613(5) 0.2868(5) 0.081(2) Uani 1 1 d .
H26 H 0.3765 0.3466 0.2264 0.097 Uiso 1 1 calc R
C27 C 0.4526(5) 0.3244(4) 0.3507(4) 0.0617(16) Uani 1 1 d .
H27 H 0.4708 0.2853 0.3320 0.074 Uiso 1 1 calc R
C28 C 0.8020(4) 0.4408(2) 0.4051(4) 0.0426(11) Uani 1 1 d .
C29 C 0.7029(4) 0.4609(3) 0.3991(4) 0.0508(13) Uani 1 1 d .
H29 H 0.6556 0.4416 0.4349 0.061 Uiso 1 1 calc R
C30 C 0.6727(5) 0.5097(3) 0.3403(5) 0.0591(15) Uani 1 1 d .
H30 H 0.6058 0.5232 0.3379 0.071 Uiso 1 1 calc R
C31 C 0.7412(6) 0.5379(3) 0.2858(5) 0.0667(18) Uani 1 1 d .
H31 H 0.7211 0.5705 0.2463 0.080 Uiso 1 1 calc R
C32 C 0.8382(6) 0.5180(3) 0.2900(5) 0.0700(19) Uani 1 1 d .
H32 H 0.8842 0.5372 0.2525 0.084 Uiso 1 1 calc R
C33 C 0.8710(5) 0.4705(3) 0.3478(5) 0.0588(15) Uani 1 1 d .
H33 H 0.9383 0.4578 0.3493 0.071 Uiso 1 1 calc R
C34 C 0.8610(4) 0.4069(2) 0.5991(4) 0.0444(11) Uani 1 1 d .
C35 C 0.8884(5) 0.3663(3) 0.6740(4) 0.0608(16) Uani 1 1 d .
H35 H 0.8955 0.3248 0.6614 0.073 Uiso 1 1 calc R
C36 C 0.9047(6) 0.3879(4) 0.7665(5) 0.0719(19) Uani 1 1 d .
H36 H 0.9223 0.3607 0.8159 0.086 Uiso 1 1 calc R
C37 C 0.8954(6) 0.4485(4) 0.7860(5) 0.0704(19) Uani 1 1 d .
H37 H 0.9070 0.4624 0.8486 0.084 Uiso 1 1 calc R
C38 C 0.8690(5) 0.4893(3) 0.7144(5) 0.0657(17) Uani 1 1 d .
H38 H 0.8623 0.5307 0.7280 0.079 Uiso 1 1 calc R
C39 C 0.8522(4) 0.4684(3) 0.6215(4) 0.0523(13) Uani 1 1 d .
H39 H 0.8347 0.4962 0.5729 0.063 Uiso 1 1 calc R
C40 C 0.9651(4) 0.3565(2) 0.4464(4) 0.0443(11) Uani 1 1 d .
C41 C 1.0517(4) 0.3842(3) 0.4892(4) 0.0500(13) Uani 1 1 d .
H41 H 1.0460 0.4129 0.5377 0.060 Uiso 1 1 calc R
C42 C 1.1464(5) 0.3690(3) 0.4596(6) 0.0663(18) Uani 1 1 d .
H42 H 1.2042 0.3871 0.4888 0.080 Uiso 1 1 calc R
C43 C 1.1552(5) 0.3279(4) 0.3883(7) 0.078(2) Uani 1 1 d .
H43 H 1.2190 0.3184 0.3682 0.093 Uiso 1 1 calc R
C44 C 1.0709(6) 0.3004(4) 0.3456(7) 0.081(2) Uani 1 1 d .
H44 H 1.0779 0.2727 0.2961 0.097 Uiso 1 1 calc R
C45 C 0.9757(5) 0.3131(3) 0.3750(5) 0.0637(17) Uani 1 1 d .
H45 H 0.9191 0.2930 0.3473 0.076 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'
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
N1 Cu1 P2 108.52(12) . .
N1 Cu1 P1 101.64(12) . .
P2 Cu1 P1 124.73(5) . .
N1 Cu1 I1 102.24(11) . .
P2 Cu1 I1 104.41(5) . .
P1 Cu1 I1 113.08(4) . .
C22 P1 C10 103.6(3) . .
C22 P1 C16 102.3(3) . .
C10 P1 C16 101.8(3) . .
C22 P1 Cu1 109.96(18) . .
C10 P1 Cu1 118.2(2) . .
C16 P1 Cu1 118.87(19) . .
C34 P2 C28 103.7(2) . .
C34 P2 C40 102.1(2) . .
C28 P2 C40 102.8(2) . .
C34 P2 Cu1 115.90(18) . .
C28 P2 Cu1 115.38(17) . .
C40 P2 Cu1 115.02(18) . .
C1 N1 C5 118.2(4) . .
C1 N1 Cu1 121.3(3) . .
C5 N1 Cu1 118.9(3) . .
C4 N2 C6 120.2(4) . .
C4 N2 H2N 119.9 . .
C6 N2 H2N 119.9 . .
N1 C1 C2 122.4(5) . .
N1 C1 H1 118.8 . .
C2 C1 H1 118.8 . .
C1 C2 C3 119.8(5) . .
C1 C2 H2 120.1 . .
C3 C2 H2 120.1 . .
C2 C3 C4 119.7(5) . .
C2 C3 H3 120.1 . .
C4 C3 H3 120.1 . .
N2 C4 C3 121.1(5) . .
N2 C4 C5 122.5(4) . .
C3 C4 C5 116.3(5) . .
N1 C5 C4 123.5(4) . .
N1 C5 H5 118.3 . .
C4 C5 H5 118.3 . .
N2 C6 C7 111.3(4) . .
N2 C6 H6A 109.4 . .
C7 C6 H6A 109.4 . .
N2 C6 H6B 109.4 . .
C7 C6 H6B 109.4 . .
H6A C6 H6B 108.0 . .
C9 C7 C8 118.1(5) . .
C9 C7 C6 120.1(5) . .
C8 C7 C6 121.8(5) . .
C7 C8 C9 120.7(5) . 3_665
C7 C8 H8 119.6 . .
C9 C8 H8 119.6 3_665 .
C7 C9 C8 121.2(5) . 3_665
C7 C9 H9 119.4 . .
C8 C9 H9 119.4 3_665 .
C15 C10 C11 118.7(7) . .
C15 C10 P1 117.5(6) . .
C11 C10 P1 123.7(6) . .
C10 C11 C12 118.8(9) . .
C10 C11 H11 120.6 . .
C12 C11 H11 120.6 . .
C13 C12 C11 121.9(10) . .
C13 C12 H12 119.0 . .
C11 C12 H12 119.0 . .
C12 C13 C14 119.6(10) . .
C12 C13 H13 120.2 . .
C14 C13 H13 120.2 . .
C13 C14 C15 120.7(12) . .
C13 C14 H14 119.7 . .
C15 C14 H14 119.7 . .
C10 C15 C14 120.2(10) . .
C10 C15 H15 119.9 . .
C14 C15 H15 119.9 . .
C21 C16 C17 117.9(6) . .
C21 C16 P1 118.3(5) . .
C17 C16 P1 123.7(5) . .
C16 C17 C18 120.5(7) . .
C16 C17 H17 119.7 . .
C18 C17 H17 119.7 . .
C19 C18 C17 121.2(7) . .
C19 C18 H18 119.4 . .
C17 C18 H18 119.4 . .
C18 C19 C20 119.9(7) . .
C18 C19 H19 120.1 . .
C20 C19 H19 120.1 . .
C19 C20 C21 119.5(8) . .
C19 C20 H20 120.3 . .
C21 C20 H20 120.3 . .
C16 C21 C20 121.0(7) . .
C16 C21 H21 119.5 . .
C20 C21 H21 119.5 . .
C23 C22 C27 117.8(6) . .
C23 C22 P1 122.1(5) . .
C27 C22 P1 119.7(5) . .
C22 C23 C24 119.8(7) . .
C22 C23 H23 120.1 . .
C24 C23 H23 120.1 . .
C25 C24 C23 121.6(8) . .
C25 C24 H24 119.2 . .
C23 C24 H24 119.2 . .
C24 C25 C26 120.0(7) . .
C24 C25 H25 120.0 . .
C26 C25 H25 120.0 . .
C27 C26 C25 119.3(7) . .
C27 C26 H26 120.4 . .
C25 C26 H26 120.4 . .
C26 C27 C22 121.4(7) . .
C26 C27 H27 119.3 . .
C22 C27 H27 119.3 . .
C29 C28 C33 117.8(5) . .
C29 C28 P2 119.2(4) . .
C33 C28 P2 122.9(4) . .
C28 C29 C30 121.0(6) . .
C28 C29 H29 119.5 . .
C30 C29 H29 119.5 . .
C31 C30 C29 120.1(6) . .
C31 C30 H30 120.0 . .
C29 C30 H30 120.0 . .
C32 C31 C30 119.5(6) . .
C32 C31 H31 120.3 . .
C30 C31 H31 120.3 . .
C31 C32 C33 122.1(7) . .
C31 C32 H32 119.0 . .
C33 C32 H32 119.0 . .
C32 C33 C28 119.6(6) . .
C32 C33 H33 120.2 . .
C28 C33 H33 120.2 . .
C39 C34 C35 117.7(5) . .
C39 C34 P2 125.0(4) . .
C35 C34 P2 117.3(4) . .
C36 C35 C34 120.1(6) . .
C36 C35 H35 119.9 . .
C34 C35 H35 119.9 . .
C37 C36 C35 120.7(7) . .
C37 C36 H36 119.6 . .
C35 C36 H36 119.6 . .
C36 C37 C38 120.5(6) . .
C36 C37 H37 119.8 . .
C38 C37 H37 119.8 . .
C37 C38 C39 119.5(6) . .
C37 C38 H38 120.3 . .
C39 C38 H38 120.3 . .
C38 C39 C34 121.5(6) . .
C38 C39 H39 119.2 . .
C34 C39 H39 119.2 . .
C45 C40 C41 119.0(5) . .
C45 C40 P2 118.1(4) . .
C41 C40 P2 122.9(4) . .
C42 C41 C40 119.9(6) . .
C42 C41 H41 120.0 . .
C40 C41 H41 120.0 . .
C43 C42 C41 120.3(6) . .
C43 C42 H42 119.8 . .
C41 C42 H42 119.8 . .
C42 C43 C44 120.4(7) . .
C42 C43 H43 119.8 . .
C44 C43 H43 119.8 . .
C43 C44 C45 120.9(7) . .
C43 C44 H44 119.6 . .
C45 C44 H44 119.6 . .
C44 C45 C40 119.4(6) . .
C44 C45 H45 120.3 . .
C40 C45 H45 120.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
I1 Cu1 2.6085(8) .
Cu1 N1 2.115(4) .
Cu1 P2 2.2821(14) .
Cu1 P1 2.3039(16) .
P1 C22 1.823(6) .
P1 C10 1.837(6) .
P1 C16 1.840(5) .
P2 C34 1.823(5) .
P2 C28 1.831(5) .
P2 C40 1.833(6) .
N1 C1 1.334(6) .
N1 C5 1.343(6) .
N2 C4 1.365(6) .
N2 C6 1.451(7) .
N2 H2N 0.8600 .
C1 C2 1.363(8) .
C1 H1 0.9300 .
C2 C3 1.383(8) .
C2 H2 0.9300 .
C3 C4 1.389(7) .
C3 H3 0.9300 .
C4 C5 1.406(7) .
C5 H5 0.9300 .
C6 C7 1.509(7) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C9 1.362(8) .
C7 C8 1.367(8) .
C8 C9 1.396(7) 3_665
C8 H8 0.9300 .
C9 C8 1.396(7) 3_665
C9 H9 0.9300 .
C10 C15 1.376(11) .
C10 C11 1.394(10) .
C11 C12 1.416(13) .
C11 H11 0.9300 .
C12 C13 1.335(17) .
C12 H12 0.9300 .
C13 C14 1.356(18) .
C13 H13 0.9300 .
C14 C15 1.411(13) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C21 1.359(9) .
C16 C17 1.368(8) .
C17 C18 1.391(9) .
C17 H17 0.9300 .
C18 C19 1.329(11) .
C18 H18 0.9300 .
C19 C20 1.355(11) .
C19 H19 0.9300 .
C20 C21 1.408(10) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 C23 1.389(9) .
C22 C27 1.393(8) .
C23 C24 1.396(10) .
C23 H23 0.9300 .
C24 C25 1.328(12) .
C24 H24 0.9300 .
C25 C26 1.398(12) .
C25 H25 0.9300 .
C26 C27 1.373(10) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 C29 1.378(8) .
C28 C33 1.413(8) .
C29 C30 1.388(8) .
C29 H29 0.9300 .
C30 C31 1.371(10) .
C30 H30 0.9300 .
C31 C32 1.351(10) .
C31 H31 0.9300 .
C32 C33 1.368(9) .
C32 H32 0.9300 .
C33 H33 0.9300 .
C34 C39 1.385(8) .
C34 C35 1.403(8) .
C35 C36 1.382(9) .
C35 H35 0.9300 .
C36 C37 1.360(10) .
C36 H36 0.9300 .
C37 C38 1.369(10) .
C37 H37 0.9300 .
C38 C39 1.383(8) .
C38 H38 0.9300 .
C39 H39 0.9300 .
C40 C45 1.392(8) .
C40 C41 1.394(7) .
C41 C42 1.385(9) .
C41 H41 0.9300 .
C42 C43 1.354(11) .
C42 H42 0.9300 .
C43 C44 1.367(11) .
C43 H43 0.9300 .
C44 C45 1.378(10) .
C44 H44 0.9300 .
C45 H45 0.9300 .
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_4
N1 Cu1 P1 C22 -50.1(2) .
P2 Cu1 P1 C22 72.4(2) .
I1 Cu1 P1 C22 -158.9(2) .
N1 Cu1 P1 C10 68.5(3) .
P2 Cu1 P1 C10 -168.9(2) .
I1 Cu1 P1 C10 -40.3(3) .
N1 Cu1 P1 C16 -167.4(2) .
P2 Cu1 P1 C16 -44.9(2) .
I1 Cu1 P1 C16 83.7(2) .
N1 Cu1 P2 C34 172.5(2) .
P1 Cu1 P2 C34 53.1(2) .
I1 Cu1 P2 C34 -79.0(2) .
N1 Cu1 P2 C28 51.0(2) .
P1 Cu1 P2 C28 -68.4(2) .
I1 Cu1 P2 C28 159.52(19) .
N1 Cu1 P2 C40 -68.5(2) .
P1 Cu1 P2 C40 172.10(19) .
I1 Cu1 P2 C40 39.99(19) .
P2 Cu1 N1 C1 145.3(4) .
P1 Cu1 N1 C1 -81.6(4) .
I1 Cu1 N1 C1 35.4(4) .
P2 Cu1 N1 C5 -49.3(4) .
P1 Cu1 N1 C5 83.7(4) .
I1 Cu1 N1 C5 -159.3(3) .
C5 N1 C1 C2 -1.1(9) .
Cu1 N1 C1 C2 164.3(5) .
N1 C1 C2 C3 0.1(11) .
C1 C2 C3 C4 -0.3(10) .
C6 N2 C4 C3 170.3(5) .
C6 N2 C4 C5 -10.0(8) .
C2 C3 C4 N2 -179.0(6) .
C2 C3 C4 C5 1.3(9) .
C1 N1 C5 C4 2.3(8) .
Cu1 N1 C5 C4 -163.5(4) .
N2 C4 C5 N1 177.9(5) .
C3 C4 C5 N1 -2.4(8) .
C4 N2 C6 C7 -170.0(5) .
N2 C6 C7 C9 74.3(7) .
N2 C6 C7 C8 -105.3(6) .
C9 C7 C8 C9 -0.2(9) 3_665
C6 C7 C8 C9 179.4(5) 3_665
C8 C7 C9 C8 0.2(10) 3_665
C6 C7 C9 C8 -179.4(5) 3_665
C22 P1 C10 C15 160.5(6) .
C16 P1 C10 C15 -93.6(6) .
Cu1 P1 C10 C15 38.6(7) .
C22 P1 C10 C11 -23.1(6) .
C16 P1 C10 C11 82.8(6) .
Cu1 P1 C10 C11 -145.0(5) .
C15 C10 C11 C12 2.2(11) .
P1 C10 C11 C12 -174.2(6) .
C10 C11 C12 C13 -1.7(14) .
C11 C12 C13 C14 0.5(19) .
C12 C13 C14 C15 0(2) .
C11 C10 C15 C14 -1.4(14) .
P1 C10 C15 C14 175.1(9) .
C13 C14 C15 C10 0(2) .
C22 P1 C16 C21 -105.0(7) .
C10 P1 C16 C21 148.0(7) .
Cu1 P1 C16 C21 16.3(7) .
C22 P1 C16 C17 75.4(6) .
C10 P1 C16 C17 -31.5(6) .
Cu1 P1 C16 C17 -163.3(5) .
C21 C16 C17 C18 -0.3(11) .
P1 C16 C17 C18 179.3(5) .
C16 C17 C18 C19 1.0(11) .
C17 C18 C19 C20 0.0(13) .
C18 C19 C20 C21 -1.5(17) .
C17 C16 C21 C20 -1.3(14) .
P1 C16 C21 C20 179.1(9) .
C19 C20 C21 C16 2.3(18) .
C10 P1 C22 C23 130.8(5) .
C16 P1 C22 C23 25.3(6) .
Cu1 P1 C22 C23 -102.0(5) .
C10 P1 C22 C27 -56.8(5) .
C16 P1 C22 C27 -162.3(5) .
Cu1 P1 C22 C27 70.4(5) .
C27 C22 C23 C24 0.8(9) .
P1 C22 C23 C24 173.3(5) .
C22 C23 C24 C25 -1.1(12) .
C23 C24 C25 C26 2.2(13) .
C24 C25 C26 C27 -3.1(12) .
C25 C26 C27 C22 2.9(10) .
C23 C22 C27 C26 -1.7(9) .
P1 C22 C27 C26 -174.4(5) .
C34 P2 C28 C29 -84.8(5) .
C40 P2 C28 C29 169.1(4) .
Cu1 P2 C28 C29 43.1(5) .
C34 P2 C28 C33 99.3(5) .
C40 P2 C28 C33 -6.8(5) .
Cu1 P2 C28 C33 -132.8(4) .
C33 C28 C29 C30 -1.5(8) .
P2 C28 C29 C30 -177.6(4) .
C28 C29 C30 C31 1.2(9) .
C29 C30 C31 C32 -0.2(10) .
C30 C31 C32 C33 -0.5(11) .
C31 C32 C33 C28 0.1(11) .
C29 C28 C33 C32 0.9(9) .
P2 C28 C33 C32 176.8(5) .
C28 P2 C34 C39 0.6(6) .
C40 P2 C34 C39 107.3(5) .
Cu1 P2 C34 C39 -126.9(5) .
C28 P2 C34 C35 179.1(5) .
C40 P2 C34 C35 -74.3(5) .
Cu1 P2 C34 C35 51.5(5) .
C39 C34 C35 C36 0.6(9) .
P2 C34 C35 C36 -178.0(6) .
C34 C35 C36 C37 -0.5(11) .
C35 C36 C37 C38 0.4(12) .
C36 C37 C38 C39 -0.3(11) .
C37 C38 C39 C34 0.4(10) .
C35 C34 C39 C38 -0.5(9) .
P2 C34 C39 C38 177.9(5) .
C34 P2 C40 C45 158.9(5) .
C28 P2 C40 C45 -93.8(5) .
Cu1 P2 C40 C45 32.5(5) .
C34 P2 C40 C41 -21.0(5) .
C28 P2 C40 C41 86.4(5) .
Cu1 P2 C40 C41 -147.4(4) .
C45 C40 C41 C42 0.9(8) .
P2 C40 C41 C42 -179.2(4) .
C40 C41 C42 C43 0.8(9) .
C41 C42 C43 C44 -0.8(11) .
C42 C43 C44 C45 -0.9(13) .
C43 C44 C45 C40 2.6(13) .
C41 C40 C45 C44 -2.6(10) .
P2 C40 C45 C44 177.5(6) .
