#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:59:30 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180459 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/28/7212805.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_7212805
loop_
_publ_author_name
'Hu, Sheng'
'Zhang, Ze-Ming'
'Meng, Zhao-Sha'
'Lin, Zhuo-Jia'
'Tong, Ming-Liang'
_publ_section_title
;
 Anion-dependent construction of
 copper(i/ii)-1,2,4,5-tetra(4-pyridyl)benzene frameworks
;
_journal_issue                   12
_journal_name_full               CrystEngComm
_journal_page_first              4378
_journal_paper_doi               10.1039/c0ce00141d
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C52 H40 Cu10 I10 N8 O2'
_chemical_formula_weight         2713.32
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                117.5380(10)
_cell_angle_beta                 96.1410(10)
_cell_angle_gamma                104.3380(10)
_cell_formula_units_Z            1
_cell_length_a                   10.1652(8)
_cell_length_b                   14.6342(12)
_cell_length_c                   15.2829(12)
_cell_measurement_temperature    293(2)
_cell_volume                     1887.1(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_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  0.0256
_diffrn_reflns_av_sigmaI/netI    0.0475
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13440
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         2.23
_exptl_absorpt_coefficient_mu    6.886
_exptl_absorpt_correction_T_max  0.7290
_exptl_absorpt_correction_T_min  0.5889
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    2.388
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1244
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.608
_refine_diff_density_min         -1.176
_refine_diff_density_rms         0.164
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         7168
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0450
_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)+(0.0552P)²+1.3222P] where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1025
_refine_ls_wR_factor_ref         0.1111
_reflns_number_gt                5557
_reflns_number_total             7168
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0ce00141d.txt
_cod_data_source_block           complex4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7212805
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
Cu1 Cu 1.06010(11) 0.42453(9) 0.46631(8) 0.0480(3) Uani 1 1 d .
Cu2 Cu 1.05841(12) 0.38349(9) 0.25476(8) 0.0533(3) Uani 1 1 d .
Cu3 Cu 1.26431(13) 0.27354(11) 0.21815(10) 0.0665(4) Uani 1 1 d .
Cu4 Cu 1.32794(11) 0.48919(9) 0.24570(9) 0.0543(3) Uani 1 1 d .
Cu5 Cu 1.15207(12) 0.31448(8) 0.08543(7) 0.0469(3) Uani 1 1 d .
I1 I 1.29036(5) 0.46144(4) 0.40899(4) 0.03950(14) Uani 1 1 d .
I2 I 0.84529(5) 0.41237(4) 0.33542(4) 0.04237(15) Uani 1 1 d .
I3 I 0.99483(6) 0.16719(4) 0.12842(4) 0.04404(15) Uani 1 1 d .
I4 I 1.10266(6) 0.50209(4) 0.15727(4) 0.04451(15) Uani 1 1 d .
I5 I 1.43175(6) 0.33781(5) 0.12593(5) 0.05655(18) Uani 1 1 d .
N1 N 0.9577(6) 0.2905(5) 0.4735(5) 0.0393(16) Uani 1 1 d .
N2 N 0.3434(8) 0.1892(6) 0.2730(6) 0.053(2) Uani 1 1 d .
N3 N 1.1033(7) 0.2337(5) -0.0683(4) 0.0384(16) Uani 1 1 d .
N4 N 1.4991(7) 0.3728(5) -0.3118(5) 0.0426(16) Uani 1 1 d .
C1 C 0.8711(8) 0.1996(6) 0.3894(6) 0.0371(18) Uani 1 1 d .
H1A H 0.8876 0.1863 0.3266 0.044 Uiso 1 1 calc R
C2 C 0.7602(8) 0.1254(6) 0.3902(6) 0.0385(18) Uani 1 1 d .
H2A H 0.7026 0.0641 0.3293 0.046 Uiso 1 1 calc R
C3 C 0.7339(7) 0.1429(6) 0.4843(6) 0.0301(16) Uani 1 1 d .
C4 C 0.8253(8) 0.2340(6) 0.5703(6) 0.0355(17) Uani 1 1 d .
H4A H 0.8128 0.2481 0.6342 0.043 Uiso 1 1 calc R
C5 C 0.9356(8) 0.3052(7) 0.5635(6) 0.0421(19) Uani 1 1 d .
H5A H 0.9969 0.3656 0.6234 0.050 Uiso 1 1 calc R
C6 C 0.6105(8) 0.0711(6) 0.4911(6) 0.0342(17) Uani 1 1 d .
C7 C 0.6343(8) 0.0334(6) 0.5576(6) 0.0328(17) Uani 1 1 d .
H7A H 0.7246 0.0577 0.5979 0.039 Uiso 1 1 calc R
C8 C 0.4750(7) 0.0403(6) 0.4350(6) 0.0319(16) Uani 1 1 d .
C9 C 0.4360(7) 0.0896(6) 0.3730(6) 0.0319(16) Uani 1 1 d .
C10 C 0.4951(8) 0.2000(7) 0.4099(6) 0.0409(19) Uani 1 1 d .
H10A H 0.5675 0.2431 0.4695 0.049 Uiso 1 1 calc R
C11 C 0.4470(9) 0.2474(7) 0.3585(7) 0.048(2) Uani 1 1 d .
H11A H 0.4883 0.3221 0.3845 0.058 Uiso 1 1 calc R
C12 C 0.2910(9) 0.0826(7) 0.2351(7) 0.052(2) Uani 1 1 d .
H12A H 0.2219 0.0407 0.1736 0.062 Uiso 1 1 calc R
C13 C 0.3335(8) 0.0308(7) 0.2819(6) 0.045(2) Uani 1 1 d .
H13A H 0.2930 -0.0446 0.2520 0.054 Uiso 1 1 calc R
C14 C 1.0890(9) 0.1290(7) -0.1204(6) 0.044(2) Uani 1 1 d .
H14A H 1.0909 0.0927 -0.0841 0.053 Uiso 1 1 calc R
C15 C 1.0715(9) 0.0698(6) -0.2234(5) 0.0387(19) Uani 1 1 d .
H15A H 1.0624 -0.0040 -0.2553 0.046 Uiso 1 1 calc R
C16 C 1.0677(7) 0.1216(6) -0.2792(5) 0.0293(16) Uani 1 1 d .
C17 C 1.0844(8) 0.2317(6) -0.2268(5) 0.0390(19) Uani 1 1 d .
H17A H 1.0848 0.2702 -0.2611 0.047 Uiso 1 1 calc R
C18 C 1.1004(9) 0.2834(7) -0.1224(6) 0.047(2) Uani 1 1 d .
H18A H 1.1096 0.3572 -0.0879 0.056 Uiso 1 1 calc R
C19 C 1.0404(7) 0.0585(6) -0.3939(5) 0.0295(16) Uani 1 1 d .
C20 C 0.9291(7) -0.0385(6) -0.4466(5) 0.0305(16) Uani 1 1 d .
H20A H 0.8821 -0.0655 -0.4099 0.037 Uiso 1 1 calc R
C21 C 1.1155(7) 0.0972(6) -0.4479(5) 0.0304(16) Uani 1 1 d .
C22 C 1.2475(7) 0.1960(6) -0.3970(5) 0.0289(16) Uani 1 1 d .
C23 C 1.2669(8) 0.2758(6) -0.4237(6) 0.0367(18) Uani 1 1 d .
H23A H 1.1965 0.2715 -0.4712 0.044 Uiso 1 1 calc R
C24 C 1.3921(8) 0.3619(6) -0.3790(6) 0.043(2) Uani 1 1 d .
H24A H 1.4028 0.4157 -0.3967 0.051 Uiso 1 1 calc R
C25 C 1.4792(8) 0.2950(7) -0.2895(6) 0.046(2) Uani 1 1 d .
H25A H 1.5529 0.2993 -0.2444 0.055 Uiso 1 1 calc R
C26 C 1.3581(8) 0.2080(6) -0.3275(6) 0.0386(19) Uani 1 1 d .
H26A H 1.3501 0.1570 -0.3065 0.046 Uiso 1 1 calc R
O1W O 1.481(2) 0.0967(16) 0.0360(17) 0.132(7) Uani 0.50 1 d PU
O1W' O 1.621(3) 0.050(3) 0.045(3) 0.205(12) Uani 0.50 1 d PU
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'
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'
O O 0.0106 0.0060 '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 I1 127.89(19) . .
N1 Cu1 Cu1 112.13(19) . 2_766
I1 Cu1 Cu1 119.91(6) . 2_766
N1 Cu1 I2 97.36(19) . .
I1 Cu1 I2 109.32(4) . .
Cu1 Cu1 I2 60.98(4) 2_766 .
N1 Cu1 I2 103.75(19) . 2_766
I1 Cu1 I2 98.83(4) . 2_766
Cu1 Cu1 I2 60.91(4) 2_766 2_766
I2 Cu1 I2 121.89(4) . 2_766
N1 Cu1 Cu2 114.99(19) . .
I1 Cu1 Cu2 57.59(3) . .
Cu1 Cu1 Cu2 101.98(6) 2_766 .
I2 Cu1 Cu2 54.64(3) . .
I2 Cu1 Cu2 141.25(4) 2_766 .
I2 Cu2 Cu5 147.52(5) . .
I2 Cu2 I3 107.50(4) . .
Cu5 Cu2 I3 61.09(3) . .
I2 Cu2 I1 108.13(4) . .
Cu5 Cu2 I1 104.32(4) . .
I3 Cu2 I1 110.27(5) . .
I2 Cu2 I4 108.46(5) . .
Cu5 Cu2 I4 58.24(3) . .
I3 Cu2 I4 113.21(4) . .
I1 Cu2 I4 109.12(4) . .
I2 Cu2 Cu4 145.25(5) . .
Cu5 Cu2 Cu4 55.90(4) . .
I3 Cu2 Cu4 107.25(4) . .
I1 Cu2 Cu4 59.32(3) . .
I4 Cu2 Cu4 55.90(3) . .
I2 Cu2 Cu3 146.68(5) . .
Cu5 Cu2 Cu3 55.33(4) . .
I3 Cu2 Cu3 56.07(4) . .
I1 Cu2 Cu3 61.22(4) . .
I4 Cu2 Cu3 104.81(4) . .
Cu4 Cu2 Cu3 60.09(4) . .
I2 Cu2 Cu1 57.07(3) . .
Cu5 Cu2 Cu1 153.20(6) . .
I3 Cu2 Cu1 108.43(4) . .
I1 Cu2 Cu1 53.90(3) . .
I4 Cu2 Cu1 138.37(5) . .
Cu4 Cu2 Cu1 111.34(5) . .
Cu3 Cu2 Cu1 97.99(5) . .
N2 Cu3 I5 110.3(2) 1_655 .
N2 Cu3 Cu5 158.5(2) 1_655 .
I5 Cu3 Cu5 63.87(4) . .
N2 Cu3 I3 109.3(2) 1_655 .
I5 Cu3 I3 120.71(5) . .
Cu5 Cu3 I3 63.01(4) . .
N2 Cu3 I1 98.7(2) 1_655 .
I5 Cu3 I1 107.75(5) . .
Cu5 Cu3 I1 102.82(5) . .
I3 Cu3 I1 107.80(5) . .
N2 Cu3 Cu4 140.5(2) 1_655 .
I5 Cu3 Cu4 58.51(4) . .
Cu5 Cu3 Cu4 56.40(4) . .
I3 Cu3 Cu4 108.11(5) . .
I1 Cu3 Cu4 57.46(4) . .
N2 Cu3 Cu2 137.0(2) 1_655 .
I5 Cu3 Cu2 110.63(5) . .
Cu5 Cu3 Cu2 58.27(4) . .
I3 Cu3 Cu2 58.05(4) . .
I1 Cu3 Cu2 56.44(4) . .
Cu4 Cu3 Cu2 59.14(4) . .
N4 Cu4 Cu5 151.10(19) 2_865 .
N4 Cu4 I4 115.1(2) 2_865 .
Cu5 Cu4 I4 60.92(4) . .
N4 Cu4 I5 101.1(2) 2_865 .
Cu5 Cu4 I5 62.62(4) . .
I4 Cu4 I5 116.91(5) . .
N4 Cu4 I1 102.01(19) 2_865 .
Cu5 Cu4 I1 105.77(4) . .
I4 Cu4 I1 111.92(4) . .
I5 Cu4 I1 108.28(4) . .
N4 Cu4 Cu2 147.42(19) 2_865 .
Cu5 Cu4 Cu2 58.92(4) . .
I4 Cu4 Cu2 60.27(4) . .
I5 Cu4 Cu2 109.41(4) . .
I1 Cu4 Cu2 58.10(3) . .
N4 Cu4 Cu3 136.0(2) 2_865 .
Cu5 Cu4 Cu3 56.41(4) . .
I4 Cu4 Cu3 108.84(4) . .
I5 Cu4 Cu3 55.48(4) . .
I1 Cu4 Cu3 61.08(4) . .
Cu2 Cu4 Cu3 60.77(4) . .
N3 Cu5 Cu4 142.21(19) . .
N3 Cu5 Cu3 132.2(2) . .
Cu4 Cu5 Cu3 67.19(5) . .
N3 Cu5 I4 110.56(19) . .
Cu4 Cu5 I4 60.09(4) . .
Cu3 Cu5 I4 117.15(5) . .
N3 Cu5 Cu2 147.2(2) . .
Cu4 Cu5 Cu2 65.18(4) . .
Cu3 Cu5 Cu2 66.39(5) . .
I4 Cu5 Cu2 62.17(4) . .
N3 Cu5 I3 103.50(18) . .
Cu4 Cu5 I3 113.56(4) . .
Cu3 Cu5 I3 59.10(4) . .
I4 Cu5 I3 115.31(4) . .
Cu2 Cu5 I3 59.54(3) . .
N3 Cu5 I5 99.8(2) . .
Cu4 Cu5 I5 60.22(4) . .
Cu3 Cu5 I5 57.97(4) . .
I4 Cu5 I5 114.05(4) . .
Cu2 Cu5 I5 112.44(4) . .
I3 Cu5 I5 111.95(4) . .
Cu1 I1 Cu2 68.51(4) . .
Cu1 I1 Cu4 128.39(4) . .
Cu2 I1 Cu4 62.58(3) . .
Cu1 I1 Cu3 108.77(4) . .
Cu2 I1 Cu3 62.33(4) . .
Cu4 I1 Cu3 61.46(3) . .
Cu2 I2 Cu1 68.30(4) . .
Cu2 I2 Cu1 110.18(4) . 2_766
Cu1 I2 Cu1 58.11(4) . 2_766
Cu3 I3 Cu2 65.87(4) . .
Cu3 I3 Cu5 57.90(3) . .
Cu2 I3 Cu5 59.38(3) . .
Cu4 I4 Cu5 58.99(3) . .
Cu4 I4 Cu2 63.83(4) . .
Cu5 I4 Cu2 59.59(3) . .
Cu3 I5 Cu4 66.01(4) . .
Cu3 I5 Cu5 58.16(4) . .
Cu4 I5 Cu5 57.16(3) . .
C1 N1 C5 116.8(6) . .
C1 N1 Cu1 120.4(5) . .
C5 N1 Cu1 118.4(5) . .
C12 N2 C11 117.7(7) . .
C12 N2 Cu3 124.6(6) . 1_455
C11 N2 Cu3 117.3(6) . 1_455
C14 N3 C18 116.0(6) . .
C14 N3 Cu5 120.4(5) . .
C18 N3 Cu5 123.1(5) . .
C25 N4 C24 115.8(7) . .
C25 N4 Cu4 125.2(6) . 2_865
C24 N4 Cu4 118.8(5) . 2_865
N1 C1 C2 124.0(7) . .
N1 C1 H1A 118.0 . .
C2 C1 H1A 118.0 . .
C1 C2 C3 119.1(7) . .
C1 C2 H2A 120.4 . .
C3 C2 H2A 120.4 . .
C4 C3 C2 116.7(6) . .
C4 C3 C6 120.9(6) . .
C2 C3 C6 122.3(7) . .
C3 C4 C5 120.9(7) . .
C3 C4 H4A 119.6 . .
C5 C4 H4A 119.6 . .
N1 C5 C4 122.4(7) . .
N1 C5 H5A 118.8 . .
C4 C5 H5A 118.8 . .
C8 C6 C7 119.7(6) . .
C8 C6 C3 123.4(7) . .
C7 C6 C3 116.9(7) . .
C6 C7 C8 121.3(7) . 2_656
C6 C7 H7A 119.4 . .
C8 C7 H7A 119.4 2_656 .
C6 C8 C7 118.9(7) . 2_656
C6 C8 C9 123.4(6) . .
C7 C8 C9 117.4(6) 2_656 .
C10 C9 C13 116.2(7) . .
C10 C9 C8 120.4(7) . .
C13 C9 C8 123.2(7) . .
C9 C10 C11 120.3(8) . .
C9 C10 H10A 119.9 . .
C11 C10 H10A 119.9 . .
N2 C11 C10 122.0(8) . .
N2 C11 H11A 119.0 . .
C10 C11 H11A 119.0 . .
N2 C12 C13 123.1(8) . .
N2 C12 H12A 118.4 . .
C13 C12 H12A 118.4 . .
C12 C13 C9 120.5(8) . .
C12 C13 H13A 119.8 . .
C9 C13 H13A 119.8 . .
N3 C14 C15 125.1(7) . .
N3 C14 H14A 117.5 . .
C15 C14 H14A 117.5 . .
C14 C15 C16 118.7(7) . .
C14 C15 H15A 120.7 . .
C16 C15 H15A 120.7 . .
C17 C16 C15 117.7(6) . .
C17 C16 C19 121.4(6) . .
C15 C16 C19 120.8(7) . .
C16 C17 C18 118.6(7) . .
C16 C17 H17A 120.7 . .
C18 C17 H17A 120.7 . .
N3 C18 C17 123.8(8) . .
N3 C18 H18A 118.1 . .
C17 C18 H18A 118.1 . .
C20 C19 C21 119.4(6) . .
C20 C19 C16 117.2(6) . .
C21 C19 C16 123.2(6) . .
C19 C20 C21 122.3(6) . 2_754
C19 C20 H20A 118.8 . .
C21 C20 H20A 118.8 2_754 .
C20 C21 C19 118.2(6) 2_754 .
C20 C21 C22 118.6(6) 2_754 .
C19 C21 C22 123.1(6) . .
C26 C22 C23 116.6(6) . .
C26 C22 C21 122.3(7) . .
C23 C22 C21 121.0(6) . .
C24 C23 C22 119.0(7) . .
C24 C23 H23A 120.5 . .
C22 C23 H23A 120.5 . .
N4 C24 C23 124.0(7) . .
N4 C24 H24A 118.0 . .
C23 C24 H24A 118.0 . .
N4 C25 C26 124.7(8) . .
N4 C25 H25A 117.7 . .
C26 C25 H25A 117.7 . .
C25 C26 C22 119.9(7) . .
C25 C26 H26A 120.1 . .
C22 C26 H26A 120.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N1 2.039(6) .
Cu1 I1 2.6053(11) .
Cu1 Cu1 2.633(2) 2_766
Cu1 I2 2.7101(12) .
Cu1 I2 2.7120(12) 2_766
Cu1 Cu2 3.0002(16) .
Cu2 I2 2.6333(12) .
Cu2 Cu5 2.6853(14) .
Cu2 I3 2.6896(13) .
Cu2 I1 2.7220(13) .
Cu2 I4 2.7537(13) .
Cu2 Cu4 2.8458(15) .
Cu2 Cu3 2.8929(18) .
Cu3 N2 2.044(7) 1_655
Cu3 I5 2.5912(14) .
Cu3 Cu5 2.5966(15) .
Cu3 I3 2.6301(14) .
Cu3 I1 2.8629(16) .
Cu3 Cu4 2.8734(17) .
Cu4 N4 2.041(6) 2_865
Cu4 Cu5 2.5964(14) .
Cu4 I4 2.6257(13) .
Cu4 I5 2.6820(14) .
Cu4 I1 2.7573(13) .
Cu5 N3 2.013(6) .
Cu5 I4 2.6475(12) .
Cu5 I3 2.7314(12) .
Cu5 I5 2.7441(13) .
I2 Cu1 2.7120(12) 2_766
N1 C1 1.339(10) .
N1 C5 1.344(10) .
N2 C12 1.318(11) .
N2 C11 1.332(11) .
N2 Cu3 2.044(7) 1_455
N3 C14 1.319(10) .
N3 C18 1.332(10) .
N4 C25 1.310(10) .
N4 C24 1.337(10) .
N4 Cu4 2.041(6) 2_865
C1 C2 1.364(10) .
C1 H1A 0.9300 .
C2 C3 1.409(10) .
C2 H2A 0.9300 .
C3 C4 1.369(10) .
C3 C6 1.471(9) .
C4 C5 1.378(10) .
C4 H4A 0.9300 .
C5 H5A 0.9300 .
C6 C8 1.384(10) .
C6 C7 1.388(10) .
C7 C8 1.400(9) 2_656
C7 H7A 0.9300 .
C8 C7 1.400(9) 2_656
C8 C9 1.506(10) .
C9 C10 1.377(10) .
C9 C13 1.380(10) .
C10 C11 1.388(11) .
C10 H10A 0.9300 .
C11 H11A 0.9300 .
C12 C13 1.368(11) .
C12 H12A 0.9300 .
C13 H13A 0.9300 .
C14 C15 1.365(10) .
C14 H14A 0.9300 .
C15 C16 1.383(10) .
C15 H15A 0.9300 .
C16 C17 1.381(10) .
C16 C19 1.508(9) .
C17 C18 1.384(10) .
C17 H17A 0.9300 .
C18 H18A 0.9300 .
C19 C20 1.377(9) .
C19 C21 1.392(9) .
C20 C21 1.384(9) 2_754
C20 H20A 0.9300 .
C21 C20 1.384(9) 2_754
C21 C22 1.507(9) .
C22 C26 1.378(10) .
C22 C23 1.384(10) .
C23 C24 1.377(10) .
C23 H23A 0.9300 .
C24 H24A 0.9300 .
C25 C26 1.364(10) .
C25 H25A 0.9300 .
C26 H26A 0.9300 .
O1W O1W' 1.75(3) .
