#------------------------------------------------------------------------------
#$Date: 2016-04-05 17:33:59 +0300 (Tue, 05 Apr 2016) $
#$Revision: 181542 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/88/7118816.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_7118816
loop_
_publ_author_name
'Shi, Dongying'
'He, Cheng'
'Sun, Wenlong'
'Ming, Zheng'
'Meng, Changgong'
'Duan, Chunying'
_publ_section_title
;
 A photosensitizing decatungstate-based MOF as heterogeneous photocatalyst
 for the selective C-H alkylation of aliphatic nitriles.
;
_journal_issue                   25
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4714
_journal_page_last               4717
_journal_paper_doi               10.1039/c6cc00862c
_journal_volume                  52
_journal_year                    2016
_chemical_formula_sum            'C63 H53 Cl2 Cu4 N13 O33 W10'
_chemical_formula_weight         3683.74
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-12-18 deposited with the CCDC.
2016-03-01 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 125.9190(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   20.0299(16)
_cell_length_b                   17.2261(14)
_cell_length_c                   15.8221(13)
_cell_measurement_reflns_used    5842
_cell_measurement_temperature    226(2)
_cell_measurement_theta_max      27.39
_cell_measurement_theta_min      2.36
_cell_volume                     4421.1(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      226(2)
_diffrn_measured_fraction_theta_full 0.904
_diffrn_measured_fraction_theta_max 0.904
_diffrn_measurement_device_type  'Bruker APEX-II 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  0.0280
_diffrn_reflns_av_sigmaI/netI    0.0403
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            11551
_diffrn_reflns_theta_full        27.41
_diffrn_reflns_theta_max         27.41
_diffrn_reflns_theta_min         2.36
_exptl_absorpt_coefficient_mu    14.031
_exptl_absorpt_correction_T_max  0.1483
_exptl_absorpt_correction_T_min  0.1108
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    2.767
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3352
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         2.378
_refine_diff_density_min         -2.252
_refine_diff_density_rms         0.436
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     401
_refine_ls_number_reflns         4705
_refine_ls_number_restraints     218
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0640
_refine_ls_R_factor_gt           0.0405
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0860P)²+38.1060P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1134
_refine_ls_wR_factor_ref         0.1306
_reflns_number_gt                3596
_reflns_number_total             4705
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6cc00862c2.cif
_cod_data_source_block           AN@DT-BPY
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7118815--7118816.cif.
;
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               7118816
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
W1 W 0.34509(2) 0.5000 0.48630(3) 0.02215(9) Uani 1 2 d S . .
W2 W 0.43316(2) 0.5000 0.27523(3) 0.02227(9) Uani 1 2 d S . .
W3 W 0.388937(14) 0.365712(15) 0.380917(18) 0.02193(7) Uani 1 1 d . . .
W4 W 0.25250(2) 0.5000 0.23304(3) 0.02843(11) Uani 1 2 d S . .
Cu1 Cu 0.47218(7) 0.0000 0.55202(8) 0.0269(3) Uani 1 2 d S . .
Cu2 Cu 0.28147(7) 0.5000 0.80462(8) 0.0237(3) Uani 1 2 d S . .
O1 O 0.1529(5) 0.5000 0.1269(6) 0.046(2) Uani 1 2 d S . .
O2 O 0.5000 0.3718(4) 0.5000 0.0198(15) Uani 1 2 d S . .
O3 O 0.4590(3) 0.5000 0.6026(4) 0.0204(16) Uani 1 2 d S . .
O4 O 0.3538(2) 0.3916(3) 0.4673(3) 0.0247(12) Uani 1 1 d . . .
O5 O 0.3779(3) 0.2678(3) 0.3683(3) 0.0291(13) Uani 1 1 d . . .
O6 O 0.3877(3) 0.5000 0.3785(4) 0.0195(16) Uani 1 2 d S . .
O7 O 0.4260(2) 0.3922(3) 0.2965(3) 0.0243(11) Uani 1 1 d . . .
O8 O 0.2794(3) 0.3918(3) 0.2618(3) 0.0267(12) Uani 1 1 d . . .
O9 O 0.2431(4) 0.5000 0.3475(5) 0.0272(18) Uani 1 2 d S . .
O10 O 0.3143(4) 0.5000 0.1777(5) 0.0312(19) Uani 1 2 d S . .
O11 O 0.4541(4) 0.5000 0.1842(4) 0.0287(18) Uani 1 2 d S . .
O12 O 0.2999(4) 0.5000 0.5509(5) 0.0299(17) Uani 1 2 d S . .
C1 C 0.3601(7) 0.1091(8) 0.5550(10) 0.032(3) Uani 0.50 1 d P A 1
H1A H 0.3199 0.0732 0.5079 0.038 Uiso 0.50 1 calc PR A 1
C1' C 0.3956(7) 0.0822(9) 0.6384(10) 0.029(3) Uani 0.50 1 d PU A 2
H1'A H 0.3866 0.0313 0.6509 0.035 Uiso 0.50 1 calc PR A 2
C2 C 0.3358(8) 0.1716(8) 0.5844(11) 0.036(4) Uani 0.50 1 d P A 1
H2A H 0.2801 0.1776 0.5580 0.043 Uiso 0.50 1 calc PR A 1
C2' C 0.3698(8) 0.1441(8) 0.6652(11) 0.035(3) Uani 0.50 1 d P A 2
H2'A H 0.3384 0.1371 0.6913 0.042 Uiso 0.50 1 calc PR A 2
C3 C 0.3927(4) 0.2254(4) 0.6520(6) 0.041(2) Uani 1 1 d . . .
C4 C 0.4692(9) 0.2294(9) 0.6627(11) 0.036(5) Uani 0.50 1 d P A 1
H4A H 0.5040 0.2730 0.6896 0.043 Uiso 0.50 1 calc PR A 1
C4' C 0.4424(7) 0.2267(7) 0.6240(8) 0.013(2) Uani 0.50 1 d PU A 2
H4'A H 0.4651 0.2747 0.6248 0.015 Uiso 0.50 1 calc PR A 2
C5 C 0.4865(7) 0.1635(8) 0.6299(9) 0.021(3) Uani 0.50 1 d PU A 1
H5A H 0.5357 0.1632 0.6349 0.025 Uiso 0.50 1 calc PR A 1
C5' C 0.4640(8) 0.1603(8) 0.5925(9) 0.020(3) Uani 0.50 1 d PU A 2
H5'A H 0.4999 0.1659 0.5730 0.024 Uiso 0.50 1 calc PR A 2
C6 C 0.3963(3) 0.4049(4) 0.7846(6) 0.080(3) Uani 1 1 d DU A .
H6A H 0.4360 0.4405 0.8333 0.096 Uiso 1 1 calc R . .
C7 C 0.4209(3) 0.3449(4) 0.7532(7) 0.077(3) Uani 1 1 d DU . .
H7A H 0.4767 0.3398 0.7796 0.093 Uiso 1 1 calc R A .
C8 C 0.3656(3) 0.2929(4) 0.6847(5) 0.046(2) Uani 1 1 d DU A .
C9 C 0.2851(3) 0.3032(4) 0.6453(7) 0.102(3) Uani 1 1 d DU . .
H9A H 0.2455 0.2671 0.5976 0.123 Uiso 1 1 calc R A .
C10 C 0.2615(3) 0.3661(4) 0.6750(5) 0.099(3) Uani 1 1 d DU A .
H10A H 0.2052 0.3750 0.6433 0.118 Uiso 1 1 calc RD . .
C11 C 0.3026(9) 0.4094(9) 0.9794(10) 0.051(4) Uani 0.60 1 d PU A 1
H11A H 0.3362 0.4510 1.0215 0.061 Uiso 0.60 1 calc PR A 1
C11' C 0.3411(15) 0.3857(15) 0.9712(18) 0.058(5) Uani 0.40 1 d PU A 2
H11B H 0.3928 0.4081 0.9983 0.070 Uiso 0.40 1 calc PR A 2
C12 C 0.2951(10) 0.3457(10) 1.0281(13) 0.066(4) Uani 0.60 1 d PU A 1
H12A H 0.3209 0.3470 1.1004 0.079 Uiso 0.60 1 calc PR A 1
C12' C 0.3306(14) 0.3196(14) 1.0159(17) 0.055(5) Uani 0.40 1 d PU A 2
H12B H 0.3776 0.2979 1.0764 0.066 Uiso 0.40 1 calc PR A 2
C13 C 0.2527(5) 0.2842(4) 0.9744(6) 0.040(2) Uani 1 1 d . . .
C14 C 0.2129(10) 0.2874(8) 0.8684(9) 0.061(5) Uani 0.60 1 d P A 1
H14A H 0.1788 0.2459 0.8269 0.073 Uiso 0.60 1 calc PR A 1
C14' C 0.1874(16) 0.3284(18) 0.903(2) 0.076(6) Uani 0.40 1 d PU A 2
H14B H 0.1354 0.3184 0.8886 0.091 Uiso 0.40 1 calc PR A 2
C15 C 0.2214(7) 0.3500(8) 0.8210(6) 0.054(4) Uani 0.60 1 d P A 1
H15A H 0.1974 0.3495 0.7491 0.064 Uiso 0.60 1 calc PRD A 1
C15' C 0.1965(15) 0.3894(17) 0.851(2) 0.069(6) Uani 0.40 1 d PU A 2
H15B H 0.1493 0.4119 0.7920 0.083 Uiso 0.40 1 calc PR A 2
N1 N 0.4376(4) 0.0970(4) 0.5900(5) 0.0473(19) Uani 1 1 d . . .
N2 N 0.3177(3) 0.4151(3) 0.7484(4) 0.0364(15) Uani 1 1 d DU . .
N3 N 0.2669(4) 0.4143(3) 0.8826(4) 0.0348(16) Uani 1 1 d . . .
Cl1 Cl 0.6257(3) 0.0000 0.6483(3) 0.1133(12) Uani 1 2 d S . .
N20 N 0.4485(9) 0.1196(7) 1.0870(11) 0.132(13) Uani 0.25 1 d PDU B 1
C23 C 0.5000 0.3062(6) 1.0000 0.132(6) Uani 0.50 2 d SPDU . 1
H23A H 0.5277 0.3267 1.0693 0.158 Uiso 0.25 1 d PR . 1
H23B H 0.4921 0.3383 0.9451 0.158 Uiso 0.25 1 d PR . 1
C22 C 0.4574(7) 0.2446(6) 0.9918(13) 0.142(10) Uani 0.25 1 d PDU . 1
H22A H 0.4316 0.2343 0.9192 0.171 Uiso 0.25 1 d PR . 1
C21 C 0.4414(14) 0.1708(11) 1.0336(16) 0.151(10) Uani 0.25 1 d PDU B 1
O1W O 0.4633(16) 0.5000 1.0070(19) 0.120(11) Uani 0.50 2 d SP . .
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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'
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
O12 W1 O3 100.1(3) . .
O12 W1 O4 102.80(16) . .
O3 W1 O4 89.09(12) . .
O12 W1 O4 102.80(16) . 6_565
O3 W1 O4 89.09(12) . 6_565
O4 W1 O4 154.3(3) . 6_565
O12 W1 O9 95.9(3) . .
O3 W1 O9 164.1(3) . .
O4 W1 O9 87.37(12) . .
O4 W1 O9 87.37(12) 6_565 .
O12 W1 O6 172.1(2) . .
O3 W1 O6 87.8(2) . .
O4 W1 O6 77.14(15) . .
O4 W1 O6 77.14(15) 6_565 .
O9 W1 O6 76.3(3) . .
O11 W2 O3 99.5(3) . 5_666
O11 W2 O7 103.20(15) . 6_565
O3 W2 O7 88.75(12) 5_666 6_565
O11 W2 O7 103.20(15) . .
O3 W2 O7 88.75(12) 5_666 .
O7 W2 O7 153.5(3) 6_565 .
O11 W2 O10 97.0(3) . .
O3 W2 O10 163.5(3) 5_666 .
O7 W2 O10 87.49(13) 6_565 .
O7 W2 O10 87.49(13) . .
O11 W2 O6 172.6(2) . .
O3 W2 O6 87.9(3) 5_666 .
O7 W2 O6 76.80(15) 6_565 .
O7 W2 O6 76.80(15) . .
O10 W2 O6 75.6(3) . .
O5 W3 O2 99.6(2) . .
O5 W3 O4 103.7(2) . .
O2 W3 O4 89.22(12) . .
O5 W3 O7 103.3(2) . .
O2 W3 O7 88.34(12) . .
O4 W3 O7 152.9(2) . .
O5 W3 O8 96.96(19) . .
O2 W3 O8 163.4(2) . .
O4 W3 O8 87.7(2) . .
O7 W3 O8 87.0(2) . .
O5 W3 O6 172.81(18) . .
O2 W3 O6 87.5(2) . .
O4 W3 O6 77.0(2) . .
O7 W3 O6 75.9(2) . .
O8 W3 O6 75.89(18) . .
O1 W4 O10 104.6(4) . .
O1 W4 O8 103.79(11) . 6_565
O10 W4 O8 86.63(17) . 6_565
O1 W4 O8 103.79(11) . .
O10 W4 O8 86.63(17) . .
O8 W4 O8 152.4(2) 6_565 .
O1 W4 O9 103.0(4) . .
O10 W4 O9 152.5(2) . .
O8 W4 O9 86.87(17) 6_565 .
O8 W4 O9 86.87(17) . .
O1 W4 O6 179.5(4) . .
O10 W4 O6 76.0(2) . .
O8 W4 O6 76.21(11) 6_565 .
O8 W4 O6 76.21(11) . .
O9 W4 O6 76.5(2) . .
N1 Cu1 N1 110.8(5) . 6
N1 Cu1 Cu1 124.2(2) . 5_656
N1 Cu1 Cu1 124.2(2) 6 5_656
N1 Cu1 Cl1 109.27(18) . .
N1 Cu1 Cl1 109.27(18) 6 .
Cu1 Cu1 Cl1 62.16(12) 5_656 .
N1 Cu1 Cl1 102.7(2) . 5_656
N1 Cu1 Cl1 102.7(2) 6 5_656
Cu1 Cu1 Cl1 59.59(12) 5_656 5_656
Cl1 Cu1 Cl1 121.76(11) . 5_656
N2 Cu2 N2 90.9(3) . 6_565
N2 Cu2 N3 169.9(2) . 6_565
N2 Cu2 N3 87.7(3) 6_565 6_565
N2 Cu2 N3 87.7(3) . .
N2 Cu2 N3 169.9(2) 6_565 .
N3 Cu2 N3 92.0(4) 6_565 .
N2 Cu2 Cl1 96.87(14) . 3_455
N2 Cu2 Cl1 96.87(14) 6_565 3_455
N3 Cu2 Cl1 93.27(18) 6_565 3_455
N3 Cu2 Cl1 93.27(18) . 3_455
W3 O2 W3 173.7(4) . 2_656
W2 O3 W1 174.3(4) 5_666 .
W1 O4 W3 116.3(2) . .
W2 O6 W4 90.76(19) . .
W2 O6 W1 178.6(2) . .
W4 O6 W1 90.6(2) . .
W2 O6 W3 90.38(16) . .
W4 O6 W3 90.65(11) . .
W1 O6 W3 89.60(16) . .
W2 O6 W3 90.38(16) . 6_565
W4 O6 W3 90.65(11) . 6_565
W1 O6 W3 89.60(16) . 6_565
W3 O6 W3 178.5(3) . 6_565
W2 O7 W3 116.9(2) . .
W4 O8 W3 117.2(2) . .
W4 O9 W1 116.6(3) . .
W4 O10 W2 117.7(3) . .
N1 C1 C2 123.1(11) . .
C2' C1' N1 118.2(13) . .
C3 C2 C1 119.9(12) . .
C1' C2' C3 118.5(14) . .
C4' C3 C2 101.4(11) . .
C4' C3 C4 21.5(7) . .
C2 C3 C4 117.7(11) . .
C4' C3 C8 127.4(9) . .
C2 C3 C8 119.4(9) . .
C4 C3 C8 119.9(9) . .
C4' C3 C2' 114.4(10) . .
C2 C3 C2' 46.1(8) . .
C4 C3 C2' 114.4(10) . .
C8 C3 C2' 117.7(10) . .
C5 C4 C3 113.8(12) . .
C3 C4' C5' 123.9(12) . .
C4 C5 N1 125.7(13) . .
N1 C5' C4' 121.8(14) . .
N2 C6 C7 122.2(5) . .
C8 C7 C6 120.0(5) . .
C7 C8 C9 118.7(6) . .
C7 C8 C3 120.2(5) . .
C9 C8 C3 121.1(5) . .
C8 C9 C10 120.1(5) . .
N2 C10 C9 120.8(5) . .
N3 C11 C12 123.7(13) . .
N3 C11' C12' 113(2) . .
C13 C12 C11 121.1(14) . .
C11' C12' C13 123.7(18) . .
C12 C13 C14' 91.5(15) . .
C12 C13 C14 116.7(11) . .
C14' C13 C14 51.4(15) . .
C12 C13 C12' 40.4(13) . .
C14' C13 C12' 114.0(16) . .
C14 C13 C12' 103.9(14) . .
C12 C13 C13 121.4(11) . 7_557
C14' C13 C13 124.1(16) . 7_557
C14 C13 C13 121.9(10) . 7_557
C12' C13 C13 120.2(12) . 7_557
C13 C14 C15 121.8(11) . .
C13 C14' C15' 121(2) . .
C14 C15 N3 118.4(8) . .
N3 C15' C14' 121(2) . .
C5' N1 C1 104.7(10) . .
C5' N1 C5 20.2(7) . .
C1 N1 C5 113.5(10) . .
C5' N1 C1' 121.2(11) . .
C1 N1 C1' 49.4(8) . .
C5 N1 C1' 112.0(10) . .
C5' N1 Cu1 122.5(9) . .
C1 N1 Cu1 121.8(7) . .
C5 N1 Cu1 122.6(8) . .
C1' N1 Cu1 114.5(7) . .
C6 N2 C10 117.9(5) . .
C6 N2 Cu2 122.4(4) . .
C10 N2 Cu2 119.6(4) . .
C11 N3 C15' 99.3(16) . .
C11 N3 C11' 41.2(13) . .
C15' N3 C11' 123.8(18) . .
C11 N3 C15 117.9(9) . .
C15' N3 C15 48.6(15) . .
C11' N3 C15 107.0(12) . .
C11 N3 Cu2 127.0(8) . .
C15' N3 Cu2 121.9(13) . .
C11' N3 Cu2 114.3(13) . .
C15 N3 Cu2 114.4(5) . .
Cu1 Cl1 Cu1 58.24(11) . 5_656
Cu1 Cl1 Cu2 159.3(2) . 3_545
Cu1 Cl1 Cu2 142.4(2) 5_656 3_545
C22 C23 C22 72.9(15) . 2_657
C23 C22 C21 154.3(13) . .
C23 C22 C22 53.5(8) . 2_657
C21 C22 C22 114.0(12) . 2_657
N20 C21 C22 163.2(19) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O12 1.717(8) .
W1 O3 1.915(5) .
W1 O4 1.916(5) .
W1 O4 1.916(5) 6_565
W1 O9 1.932(6) .
W1 O6 2.312(7) .
W2 O11 1.720(8) .
W2 O3 1.871(5) 5_666
W2 O7 1.908(5) 6_565
W2 O7 1.908(5) .
W2 O10 1.933(6) .
W2 O6 2.291(7) .
W3 O5 1.698(4) .
W3 O2 1.8952(4) .
W3 O4 1.922(5) .
W3 O7 1.925(5) .
W3 O8 1.928(4) .
W3 O6 2.3135(3) .
W4 O1 1.694(7) .
W4 O10 1.890(8) .
W4 O8 1.920(5) 6_565
W4 O8 1.920(5) .
W4 O9 1.927(8) .
W4 O6 2.306(5) .
Cu1 N1 2.029(7) .
Cu1 N1 2.029(7) 6
Cu1 Cu1 2.470(3) 5_656
Cu1 Cl1 2.506(5) .
Cu1 Cl1 2.569(4) 5_656
Cu2 N2 2.052(5) .
Cu2 N2 2.052(5) 6_565
Cu2 N3 2.052(6) 6_565
Cu2 N3 2.052(6) .
Cu2 Cl1 2.607(4) 3_455
O2 W3 1.8952(4) 2_656
O3 W2 1.871(5) 5_666
O6 W3 2.3135(3) 6_565
C1 N1 1.324(14) .
C1 C2 1.37(2) .
C1' C2' 1.36(2) .
C1' N1 1.455(17) .
C2 C3 1.368(15) .
C2' C3 1.526(16) .
C3 C4' 1.304(17) .
C3 C4 1.44(2) .
C3 C8 1.499(10) .
C4 C5 1.37(2) .
C4' C5' 1.41(2) .
C5 N1 1.395(14) .
C5' N1 1.203(16) .
C6 N2 1.335(6) .
C6 C7 1.359(8) .
C7 C8 1.338(6) .
C8 C9 1.357(7) .
C9 C10 1.371(8) .
C10 N2 1.340(6) .
C11 N3 1.257(14) .
C11 C12 1.40(2) .
C11' N3 1.40(2) .
C11' C12' 1.42(4) .
C12 C13 1.311(18) .
C12' C13 1.43(3) .
C13 C14' 1.35(3) .
C13 C14 1.373(14) .
C13 C13 1.469(15) 7_557
C14 C15 1.380(18) .
C14' C15' 1.41(4) .
C15 N3 1.402(13) .
C15' N3 1.26(3) .
Cl1 Cu1 2.569(4) 5_656
Cl1 Cu2 2.607(4) 3_545
N20 C21 1.170(9) .
C23 C22 1.321(9) .
C23 C22 1.321(9) 2_657
C22 C21 1.550(9) .
C22 C22 1.57(3) 2_657
O1W O1W 1.61(6) 5_667
