#------------------------------------------------------------------------------
#$Date: 2016-03-05 11:53:18 +0200 (Sat, 05 Mar 2016) $
#$Revision: 177818 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/76/7037671.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_7037671
loop_
_publ_author_name
'Hu, Yang-Yang'
'Zhang, Ting-Ting'
'Zhang, Xiao'
'Zhao, De-Chuan'
'Cui, Xiao-Bing'
'Huo, Qi-Sheng'
'Xu, Ji-Qing'
_publ_section_title
;
 New organic-inorganic hybrid compounds constructed from polyoxometalates
 and transition metal mixed-organic-ligand complexes.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2562
_journal_page_last               2573
_journal_paper_doi               10.1039/c5dt04413h
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C60 H46 Cl4 Cu4 Ge N10 O46 W12'
_chemical_formula_weight         4317.82
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-12-07 deposited with the CCDC.
2015-12-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.681(4)
_cell_length_b                   13.187(3)
_cell_length_c                   32.788(7)
_cell_measurement_reflns_used    61214
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      3.02
_cell_volume                     8942(3)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Diamond 3.2'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0905
_diffrn_reflns_av_unetI/netI     0.0474
_diffrn_reflns_laue_measured_fraction_full 0.999
_diffrn_reflns_laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            79213
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.491
_diffrn_reflns_theta_min         3.087
_exptl_absorpt_coefficient_mu    16.839
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    3.207
_exptl_crystal_description       block
_exptl_crystal_F_000             7792
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_exptl_transmission_factor_max   1.000
_exptl_transmission_factor_min   0.201
_refine_diff_density_max         3.671
_refine_diff_density_min         -4.627
_refine_diff_density_rms         0.325
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     637
_refine_ls_number_reflns         10201
_refine_ls_number_restraints     474
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0747
_refine_ls_R_factor_gt           0.0626
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0195P)²+481.1118P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1250
_refine_ls_wR_factor_ref         0.1300
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8736
_reflns_number_total             10201
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt04413h2.cif
_cod_data_source_block           shelx_2
_cod_depositor_comments
'Adding full bibliography for 7037670--7037674.cif.'
_cod_database_code               7037671
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.088
_shelx_estimated_absorpt_t_max   0.187
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
W1 W 0.54866(3) 0.65717(4) 0.08179(2) 0.02507(13) Uani 1 1 d . . .
W2 W 0.35769(3) 0.55775(5) -0.05543(2) 0.02567(13) Uani 1 1 d . . .
W3 W 0.40712(3) 0.71567(4) 0.02618(2) 0.02982(14) Uani 1 1 d . . .
W4 W 0.63780(3) 0.65626(5) -0.01061(2) 0.03810(17) Uani 1 1 d . . .
W5 W 0.59026(3) 0.49787(6) -0.09230(2) 0.03980(18) Uani 1 1 d . . .
W6 W 0.49650(4) 0.71274(5) -0.06602(2) 0.04430(19) Uani 1 1 d . . .
Ge1 Ge 0.5000 0.5000 0.0000 0.0204(4) Uani 1 2 d S . P
O1 O 0.5483(11) 0.5749(18) -0.0339(7) 0.044(3) Uani 0.5 1 d . U P
O2 O 0.5628(10) 0.5452(17) 0.0260(6) 0.038(3) Uani 0.5 1 d . U P
O3 O 0.5524(9) 0.4077(14) 0.0174(6) 0.027(3) Uani 0.5 1 d . U P
O4 O 0.4785(11) 0.5798(19) 0.0369(7) 0.044(3) Uani 0.5 1 d . U P
Cu2 Cu 0.62307(8) 0.31903(14) -0.27657(5) 0.0289(4) Uani 1 1 d . . .
Cu1 Cu 0.51167(7) 0.48550(14) -0.29012(5) 0.0254(4) Uani 1 1 d . . .
Cl2 Cl 0.60487(16) 0.5106(3) -0.25558(12) 0.0354(8) Uani 1 1 d . . .
Cl1 Cl 0.51512(17) 0.2882(3) -0.27840(13) 0.0388(9) Uani 1 1 d . . .
O19 O 0.6275(5) 0.3537(9) -0.3343(3) 0.036(2) Uani 1 1 d . U .
N5 N 0.4539(5) 0.5186(9) -0.2432(3) 0.025(2) Uani 1 1 d . . .
N4 N 0.7194(5) 0.2957(10) -0.2779(4) 0.029(3) Uani 1 1 d . . .
O17 O 0.7028(6) 0.7317(9) -0.0147(4) 0.047(3) Uani 1 1 d . U .
O16 O 0.6322(5) 0.4969(11) -0.1354(3) 0.046(3) Uani 1 1 d . U .
O18 O 0.5571(5) 0.4828(8) -0.3422(3) 0.032(2) Uani 1 1 d . U .
N2 N 0.4271(5) 0.4869(10) -0.3210(4) 0.030(3) Uani 1 1 d . . .
N7 N 0.6747(7) 0.4787(11) -0.4719(4) 0.040(3) Uani 1 1 d . . .
O15 O 0.3631(6) 0.8189(10) 0.0380(5) 0.059(3) Uani 1 1 d . U .
O14 O 0.3777(6) 0.6179(11) 0.0646(4) 0.059(3) Uani 1 1 d . U .
O13 O 0.6725(6) 0.5456(9) 0.0196(4) 0.052(3) Uani 1 1 d . U .
C21 C 0.6004(7) 0.4247(11) -0.3540(4) 0.029(3) Uani 1 1 d . . .
C20 C 0.6269(7) 0.4443(11) -0.3964(4) 0.030(3) Uani 1 1 d . . .
N1 N 0.6366(6) 0.2766(10) -0.2185(4) 0.035(3) Uani 1 1 d . . .
O12 O 0.4928(5) 0.8126(9) -0.0967(3) 0.041(3) Uani 1 1 d . U .
O11 O 0.4566(7) 0.7643(12) -0.0189(4) 0.066(3) Uani 1 1 d . U .
O10 O 0.5714(8) 0.7330(10) 0.1202(4) 0.067(4) Uani 1 1 d . U .
O9 O 0.5744(8) 0.7305(12) -0.0367(5) 0.076(3) Uani 1 1 d . U .
C19 C 0.3118(7) 0.4990(12) -0.3101(5) 0.034(3) Uani 1 1 d . . .
O8 O 0.4178(8) 0.6459(12) -0.0797(4) 0.069(3) Uani 1 1 d . U .
C18 C 0.6651(6) 0.3727(12) -0.4153(4) 0.029(3) Uani 1 1 d . . .
H18A H 0.6753 0.3125 -0.4019 0.034 Uiso 1 1 calc R U .
C17 C 0.2616(7) 0.5146(12) -0.2813(6) 0.040(4) Uani 1 1 d . . .
H17A H 0.2189 0.5119 -0.2900 0.047 Uiso 1 1 calc R U .
O7 O 0.2916(6) 0.5857(13) -0.0826(4) 0.067(4) Uani 1 1 d . U .
C16 C 0.3021(8) 0.4793(13) -0.3515(5) 0.041(4) Uani 1 1 d . . .
H16A H 0.2605 0.4744 -0.3621 0.049 Uiso 1 1 calc R U .
C15 C 0.7221(9) 0.2396(11) -0.1695(5) 0.042(4) Uani 1 1 d . . .
C14 C 0.7456(7) 0.2742(11) -0.2410(5) 0.034(3) Uani 1 1 d . . .
O5 O 0.6029(7) 0.7072(10) 0.0389(4) 0.058(3) Uani 1 1 d . U .
C13 C 0.3543(8) 0.4673(14) -0.3758(5) 0.047(4) Uani 1 1 d . . .
H13A H 0.3483 0.4568 -0.4036 0.056 Uiso 1 1 calc R U .
O35 O 0.6467(8) 0.5747(12) -0.0574(5) 0.078(3) Uani 1 1 d . U .
C12 C 0.6881(7) 0.3911(12) -0.4543(4) 0.034(3) Uani 1 1 d . . .
H12A H 0.7126 0.3425 -0.4678 0.041 Uiso 1 1 calc R U .
C11 C 0.4204(9) 0.5564(13) -0.1754(5) 0.045(4) Uani 1 1 d . . .
H11A H 0.4323 0.5671 -0.1483 0.054 Uiso 1 1 calc R U .
O32 O 0.5372(8) 0.6118(13) -0.0965(5) 0.082(3) Uani 1 1 d . U .
C10 C 0.8325(9) 0.2334(13) -0.1945(6) 0.049(4) Uani 1 1 d . . .
H10A H 0.8763 0.2227 -0.1898 0.059 Uiso 1 1 calc R U .
C9 C 0.3395(7) 0.5383(12) -0.2267(5) 0.032(3) Uani 1 1 d . . .
C8 C 0.3763(7) 0.5016(10) -0.2965(4) 0.025(3) Uani 1 1 d . . .
C7 C 0.3895(7) 0.5200(10) -0.2545(4) 0.025(3) Uani 1 1 d . . .
C6 C 0.6994(8) 0.2638(11) -0.2084(5) 0.034(3) Uani 1 1 d . . .
C5 C 0.6736(11) 0.2285(13) -0.1393(5) 0.055(6) Uani 1 1 d . . .
H5A H 0.6852 0.2138 -0.1125 0.066 Uiso 1 1 calc R U .
C4 C 0.7598(7) 0.3019(14) -0.3099(5) 0.040(4) Uani 1 1 d . . .
H4A H 0.7432 0.3176 -0.3355 0.048 Uiso 1 1 calc R U .
C3 C 0.3585(8) 0.5584(13) -0.1860(5) 0.038(4) Uani 1 1 d . . .
H3A H 0.3273 0.5733 -0.1665 0.045 Uiso 1 1 calc R U .
C2 C 0.4680(7) 0.5379(12) -0.2050(4) 0.032(3) Uani 1 1 d . . .
H2A H 0.5113 0.5395 -0.1972 0.038 Uiso 1 1 calc R U .
C1 C 0.7902(10) 0.2253(14) -0.1630(6) 0.053(5) Uani 1 1 d . . .
H1A H 0.8054 0.2104 -0.1370 0.063 Uiso 1 1 calc R U .
C30 C 0.8514(8) 0.2628(13) -0.2687(6) 0.047(5) Uani 1 1 d . . .
H30A H 0.8954 0.2505 -0.2659 0.057 Uiso 1 1 calc R U .
C29 C 0.5934(9) 0.2657(14) -0.1893(6) 0.049(5) Uani 1 1 d . . .
H29A H 0.5500 0.2759 -0.1955 0.059 Uiso 1 1 calc R U .
C28 C 0.6139(10) 0.5330(16) -0.4158(5) 0.057(6) Uani 1 1 d . . .
H28A H 0.5880 0.5814 -0.4032 0.069 Uiso 1 1 calc R U .
C27 C 0.4173(8) 0.4705(13) -0.3601(5) 0.041(4) Uani 1 1 d . . .
H27A H 0.4524 0.4608 -0.3774 0.049 Uiso 1 1 calc R U .
C26 C 0.8111(8) 0.2580(12) -0.2346(5) 0.039(4) Uani 1 1 d . . .
C25 C 0.6102(10) 0.2392(15) -0.1495(5) 0.050(5) Uani 1 1 d . . .
H25A H 0.5782 0.2289 -0.1300 0.060 Uiso 1 1 calc R U .
C24 C 0.8272(8) 0.2850(16) -0.3056(6) 0.052(5) Uani 1 1 d . . .
H24A H 0.8543 0.2892 -0.3281 0.063 Uiso 1 1 calc R U .
C23 C 0.6389(13) 0.5521(16) -0.4544(7) 0.078(8) Uani 1 1 d . . .
H23A H 0.6313 0.6133 -0.4676 0.094 Uiso 1 1 calc R U .
O1W O 0.7328(5) 0.5643(9) -0.5400(3) 0.039(3) Uani 1 1 d . . .
O36 O 0.6060(6) 0.5479(9) 0.0880(4) 0.055(3) Uani 1 1 d . U .
C50 C 0.2744(7) 0.5330(12) -0.2418(5) 0.037(4) Uani 1 1 d . . .
H50A H 0.2403 0.5426 -0.2237 0.045 Uiso 1 1 calc R U .
O34 O 0.5152(6) 0.4227(11) -0.1067(5) 0.066(3) Uani 1 1 d . U .
O33 O 0.3506(8) 0.6503(12) -0.0118(4) 0.069(3) Uani 1 1 d . U .
O30 O 0.4815(6) 0.7372(12) 0.0589(4) 0.065(3) Uani 1 1 d . U .
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'
Ge Ge 0.1547 1.8001 '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
O10 W1 O34 101.9(8) . 5_665
O10 W1 O36 101.5(7) . .
O34 W1 O36 88.0(5) 5_665 .
O10 W1 O30 99.9(7) . .
O34 W1 O30 88.3(6) 5_665 .
O36 W1 O30 158.6(7) . .
O10 W1 O5 100.4(7) . .
O34 W1 O5 157.7(7) 5_665 .
O36 W1 O5 88.5(5) . .
O30 W1 O5 87.0(6) . .
O10 W1 O4 157.1(8) . .
O34 W1 O4 65.6(7) 5_665 .
O36 W1 O4 97.3(8) . .
O30 W1 O4 62.1(8) . .
O5 W1 O4 93.0(7) . .
O10 W1 O2 156.6(8) . .
O34 W1 O2 94.2(8) 5_665 .
O36 W1 O2 61.8(6) . .
O30 W1 O2 97.5(7) . .
O5 W1 O2 64.9(7) . .
O4 W1 O2 46.3(8) . .
O7 W2 O8 100.3(8) . .
O7 W2 O33 101.4(7) . .
O8 W2 O33 88.4(6) . .
O7 W2 O13 102.6(7) . 5_665
O8 W2 O13 157.1(7) . 5_665
O33 W2 O13 88.3(6) . 5_665
O7 W2 O36 100.7(7) . 5_665
O8 W2 O36 87.3(6) . 5_665
O33 W2 O36 158.0(7) . 5_665
O13 W2 O36 87.2(5) 5_665 5_665
O7 W2 O3 155.8(8) . 5_665
O8 W2 O3 64.5(7) . 5_665
O33 W2 O3 61.4(7) . 5_665
O13 W2 O3 94.2(6) 5_665 5_665
O36 W2 O3 97.5(6) 5_665 5_665
O7 W2 O2 157.2(8) . 5_665
O8 W2 O2 94.0(8) . 5_665
O33 W2 O2 96.8(8) . 5_665
O13 W2 O2 63.9(7) 5_665 5_665
O36 W2 O2 62.0(7) 5_665 5_665
O3 W2 O2 47.1(7) 5_665 5_665
O15 W3 O30 100.8(7) . .
O15 W3 O14 102.9(7) . .
O30 W3 O14 89.2(5) . .
O15 W3 O11 101.4(7) . .
O30 W3 O11 87.3(6) . .
O14 W3 O11 155.8(7) . .
O15 W3 O33 100.6(7) . .
O30 W3 O33 158.6(7) . .
O14 W3 O33 86.0(6) . .
O11 W3 O33 88.5(6) . .
O15 W3 O3 154.7(7) . 5_665
O30 W3 O3 99.2(7) . 5_665
O14 W3 O3 92.8(7) . 5_665
O11 W3 O3 64.2(6) . 5_665
O33 W3 O3 60.3(7) . 5_665
O15 W3 O4 157.4(7) . .
O30 W3 O4 61.3(8) . .
O14 W3 O4 65.5(7) . .
O11 W3 O4 92.0(8) . .
O33 W3 O4 97.9(8) . .
O3 W3 O4 48.0(7) 5_665 .
O17 W4 O9 102.6(7) . .
O17 W4 O35 101.2(7) . .
O9 W4 O35 89.8(6) . .
O17 W4 O5 99.4(6) . .
O9 W4 O5 86.5(6) . .
O35 W4 O5 159.3(7) . .
O17 W4 O13 101.2(6) . .
O9 W4 O13 156.2(7) . .
O35 W4 O13 87.1(6) . .
O5 W4 O13 88.2(5) . .
O17 W4 O1 155.0(7) . .
O9 W4 O1 61.1(8) . .
O35 W4 O1 62.4(8) . .
O5 W4 O1 98.3(7) . .
O13 W4 O1 96.9(7) . .
O17 W4 O2 154.4(7) . .
O9 W4 O2 95.4(7) . .
O35 W4 O2 96.8(8) . .
O5 W4 O2 63.4(7) . .
O13 W4 O2 61.6(6) . .
O1 W4 O2 50.6(8) . .
O16 W5 O32 104.6(7) . .
O16 W5 O14 102.6(6) . 5_665
O32 W5 O14 152.8(7) . 5_665
O16 W5 O34 102.2(6) . .
O32 W5 O34 85.5(7) . .
O14 W5 O34 89.1(5) 5_665 .
O16 W5 O35 101.2(7) . .
O32 W5 O35 88.7(6) . .
O14 W5 O35 85.8(6) 5_665 .
O34 W5 O35 156.6(7) . .
O16 W5 O1 153.7(8) . .
O32 W5 O1 59.4(7) . .
O14 W5 O1 95.0(7) 5_665 .
O34 W5 O1 97.3(8) . .
O35 W5 O1 60.6(8) . .
O16 W5 O4 154.8(7) . 5_665
O32 W5 O4 92.8(8) . 5_665
O14 W5 O4 61.7(6) 5_665 5_665
O34 W5 O4 60.5(7) . 5_665
O35 W5 O4 97.3(8) . 5_665
O1 W5 O4 51.5(8) . 5_665
O12 W6 O32 105.3(7) . .
O12 W6 O11 101.0(6) . .
O32 W6 O11 153.7(8) . .
O12 W6 O9 104.4(7) . .
O32 W6 O9 88.6(6) . .
O11 W6 O9 84.9(7) . .
O12 W6 O8 100.7(6) . .
O32 W6 O8 85.9(7) . .
O11 W6 O8 89.2(6) . .
O9 W6 O8 154.9(7) . .
O12 W6 O1 154.7(7) . .
O32 W6 O1 58.9(8) . .
O11 W6 O1 96.4(7) . .
O9 W6 O1 58.8(8) . .
O8 W6 O1 97.8(8) . .
O12 W6 O3 152.1(6) . 5_665
O32 W6 O3 94.1(7) . 5_665
O11 W6 O3 61.4(6) . 5_665
O9 W6 O3 95.8(7) . 5_665
O8 W6 O3 60.3(6) . 5_665
O1 W6 O3 53.2(7) . 5_665
O4 Ge1 O4 180.0(11) . 5_665
O4 Ge1 O2 113.0(11) . 5_665
O4 Ge1 O2 67.0(11) 5_665 5_665
O4 Ge1 O2 67.1(11) . .
O4 Ge1 O2 113.0(11) 5_665 .
O2 Ge1 O2 180.0 5_665 .
O4 Ge1 O3 68.1(10) . 5_665
O4 Ge1 O3 111.9(10) 5_665 5_665
O2 Ge1 O3 66.0(10) 5_665 5_665
O2 Ge1 O3 114.0(10) . 5_665
O4 Ge1 O3 111.9(10) . .
O4 Ge1 O3 68.1(10) 5_665 .
O2 Ge1 O3 114.0(10) 5_665 .
O2 Ge1 O3 66.0(10) . .
O3 Ge1 O3 180.0 5_665 .
O4 Ge1 O1 75.5(11) . 5_665
O4 Ge1 O1 104.5(11) 5_665 5_665
O2 Ge1 O1 71.6(10) 5_665 5_665
O2 Ge1 O1 108.4(10) . 5_665
O3 Ge1 O1 104.1(10) 5_665 5_665
O3 Ge1 O1 75.9(10) . 5_665
O4 Ge1 O1 104.6(11) . .
O4 Ge1 O1 75.5(11) 5_665 .
O2 Ge1 O1 108.4(10) 5_665 .
O2 Ge1 O1 71.6(10) . .
O3 Ge1 O1 75.9(10) 5_665 .
O3 Ge1 O1 104.1(10) . .
O1 Ge1 O1 180.0(12) 5_665 .
Ge1 O1 W4 120.4(11) . .
Ge1 O1 W5 118.5(12) . .
W4 O1 W5 100.3(9) . .
Ge1 O1 W6 116.7(11) . .
W4 O1 W6 99.0(9) . .
W5 O1 W6 97.9(8) . .
Ge1 O2 W2 123.5(12) . 5_665
Ge1 O2 W1 121.5(11) . .
W2 O2 W1 97.4(8) 5_665 .
Ge1 O2 W4 117.3(10) . .
W2 O2 W4 96.0(8) 5_665 .
W1 O2 W4 94.8(8) . .
Ge1 O3 W2 123.4(10) . 5_665
Ge1 O3 W3 121.1(9) . 5_665
W2 O3 W3 100.5(7) 5_665 5_665
Ge1 O3 W6 114.2(9) . 5_665
W2 O3 W6 96.3(6) 5_665 5_665
W3 O3 W6 95.4(7) 5_665 5_665
Ge1 O4 W1 125.2(12) . .
Ge1 O4 W3 122.8(12) . .
W1 O4 W3 98.8(9) . .
Ge1 O4 W5 114.6(12) . 5_665
W1 O4 W5 94.3(8) . 5_665
W3 O4 W5 93.6(8) . 5_665
O19 Cu2 N1 168.9(5) . .
O19 Cu2 N4 88.2(5) . .
N1 Cu2 N4 80.8(5) . .
O19 Cu2 Cl1 93.6(3) . .
N1 Cu2 Cl1 96.5(4) . .
N4 Cu2 Cl1 160.7(4) . .
O19 Cu2 Cl2 92.0(3) . .
N1 Cu2 Cl2 92.3(4) . .
N4 Cu2 Cl2 107.0(4) . .
Cl1 Cu2 Cl2 92.16(14) . .
O18 Cu1 N5 165.4(5) . .
O18 Cu1 N2 88.7(4) . .
N5 Cu1 N2 82.3(4) . .
O18 Cu1 Cl2 91.8(3) . .
N5 Cu1 Cl2 95.3(3) . .
N2 Cu1 Cl2 171.0(4) . .
O18 Cu1 Cl1 95.5(3) . .
N5 Cu1 Cl1 96.9(4) . .
N2 Cu1 Cl1 96.1(4) . .
Cl2 Cu1 Cl1 92.77(15) . .
Cu1 Cl2 Cu2 81.45(13) . .
Cu2 Cl1 Cu1 81.59(13) . .
C21 O19 Cu2 130.3(9) . .
C2 N5 C7 118.0(12) . .
C2 N5 Cu1 130.2(10) . .
C7 N5 Cu1 111.9(8) . .
C4 N4 C14 117.5(13) . .
C4 N4 Cu2 128.5(10) . .
C14 N4 Cu2 114.0(10) . .
C21 O18 Cu1 129.2(10) . .
C27 N2 C8 119.2(12) . .
C27 N2 Cu1 128.4(10) . .
C8 N2 Cu1 112.3(9) . .
C12 N7 C23 123.9(14) . .
W5 O14 W3 138.7(7) 5_665 .
W4 O13 W2 138.3(7) . 5_665
O18 C21 O19 128.2(13) . .
O18 C21 C20 116.1(13) . .
O19 C21 C20 115.6(12) . .
C28 C20 C18 119.7(14) . .
C28 C20 C21 120.3(14) . .
C18 C20 C21 120.1(14) . .
C29 N1 C6 117.3(15) . .
C29 N1 Cu2 128.8(12) . .
C6 N1 Cu2 113.8(10) . .
W6 O11 W3 138.7(8) . .
W4 O9 W6 140.8(10) . .
C16 C19 C8 116.6(14) . .
C16 C19 C17 124.6(15) . .
C8 C19 C17 118.8(14) . .
W2 O8 W6 138.7(8) . .
C20 C18 C12 119.3(15) . .
C50 C17 C19 121.6(14) . .
C13 C16 C19 118.7(14) . .
C6 C15 C5 115.0(17) . .
C6 C15 C1 119.8(17) . .
C5 C15 C1 125.2(18) . .
N4 C14 C26 123.7(15) . .
N4 C14 C6 114.7(13) . .
C26 C14 C6 121.5(15) . .
W4 O5 W1 136.7(8) . .
C16 C13 C27 121.4(15) . .
W4 O35 W5 136.6(10) . .
N7 C12 C18 119.0(14) . .
C3 C11 C2 119.9(15) . .
W6 O32 W5 143.3(9) . .
C1 C10 C26 121.4(17) . .
C7 C9 C3 116.1(13) . .
C7 C9 C50 117.4(14) . .
C3 C9 C50 126.5(14) . .
N2 C8 C19 123.5(13) . .
N2 C8 C7 117.0(12) . .
C19 C8 C7 119.5(13) . .
N5 C7 C9 122.6(12) . .
N5 C7 C8 116.3(12) . .
C9 C7 C8 121.1(13) . .
N1 C6 C15 125.3(15) . .
N1 C6 C14 116.3(14) . .
C15 C6 C14 118.4(15) . .
C25 C5 C15 120.0(16) . .
N4 C4 C24 121.6(16) . .
C11 C3 C9 120.8(14) . .
N5 C2 C11 122.5(15) . .
C10 C1 C15 120.5(17) . .
C24 C30 C26 120.6(15) . .
N1 C29 C25 122.6(17) . .
C20 C28 C23 120.5(16) . .
N2 C27 C13 120.5(15) . .
C14 C26 C30 117.1(16) . .
C14 C26 C10 118.4(17) . .
C30 C26 C10 124.4(16) . .
C5 C25 C29 119.7(16) . .
C30 C24 C4 119.4(16) . .
N7 C23 C28 117.5(17) . .
W1 O36 W2 138.5(8) . 5_665
C17 C50 C9 121.7(14) . .
W1 O34 W5 139.4(8) 5_665 .
W2 O33 W3 137.5(10) . .
W3 O30 W1 137.2(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O10 1.677(12) .
W1 O34 1.877(13) 5_665
W1 O36 1.877(12) .
W1 O30 1.898(13) .
W1 O5 1.915(12) .
W1 O4 2.31(2) .
W1 O2 2.37(2) .
W2 O7 1.674(11) .
W2 O8 1.879(13) .
W2 O33 1.886(13) .
W2 O13 1.904(11) 5_665
W2 O36 1.909(12) 5_665
W2 O3 2.29(2) 5_665
W2 O2 2.34(2) 5_665
W3 O15 1.683(12) .
W3 O30 1.897(14) .
W3 O14 1.903(11) .
W3 O11 1.909(13) .
W3 O33 1.914(13) .
W3 O3 2.322(18) 5_665
W3 O4 2.35(2) .
W4 O17 1.677(11) .
W4 O9 1.847(14) .
W4 O35 1.882(15) .
W4 O5 1.900(13) .
W4 O13 1.904(12) .
W4 O1 2.27(2) .
W4 O2 2.45(2) .
W5 O16 1.660(10) .
W5 O32 1.865(16) .
W5 O14 1.896(13) 5_665
W5 O34 1.901(14) .
W5 O35 1.924(15) .
W5 O1 2.33(2) .
W5 O4 2.52(2) 5_665
W6 O12 1.659(11) .
W6 O32 1.864(15) .
W6 O11 1.878(14) .
W6 O9 1.891(14) .
W6 O8 1.904(14) .
W6 O1 2.36(2) .
W6 O3 2.467(18) 5_665
Ge1 O4 1.66(2) .
Ge1 O4 1.66(2) 5_665
Ge1 O2 1.66(2) 5_665
Ge1 O2 1.66(2) .
Ge1 O3 1.726(18) 5_665
Ge1 O3 1.726(18) .
Ge1 O1 1.79(2) 5_665
Ge1 O1 1.79(2) .
O2 W2 2.34(2) 5_665
O3 W2 2.29(2) 5_665
O3 W3 2.322(18) 5_665
O3 W6 2.467(18) 5_665
O4 W5 2.52(2) 5_665
Cu2 O19 1.950(11) .
Cu2 N1 2.003(12) .
Cu2 N4 2.016(11) .
Cu2 Cl1 2.270(4) .
Cu2 Cl2 2.645(4) .
Cu1 O18 1.949(9) .
Cu1 N5 1.997(11) .
Cu1 N2 2.022(11) .
Cu1 Cl2 2.260(4) .
Cu1 Cl1 2.630(4) .
O19 C21 1.267(18) .
N5 C2 1.311(17) .
N5 C7 1.381(17) .
N4 C4 1.343(18) .
N4 C14 1.357(19) .
O18 C21 1.240(16) .
N2 C27 1.314(18) .
N2 C8 1.337(17) .
N7 C12 1.32(2) .
N7 C23 1.35(2) .
O14 W5 1.896(13) 5_665
O13 W2 1.904(11) 5_665
C21 C20 1.519(19) .
C20 C28 1.36(2) .
C20 C18 1.38(2) .
N1 C29 1.32(2) .
N1 C6 1.350(19) .
C19 C16 1.40(2) .
C19 C8 1.41(2) .
C19 C17 1.42(2) .
C18 C12 1.386(19) .
C17 C50 1.35(2) .
C16 C13 1.35(2) .
C15 C6 1.40(2) .
C15 C5 1.42(3) .
C15 C1 1.44(3) .
C14 C26 1.39(2) .
C14 C6 1.44(2) .
C13 C27 1.40(2) .
C11 C3 1.33(2) .
C11 C2 1.40(2) .
C10 C1 1.36(3) .
C10 C26 1.43(2) .
C9 C7 1.401(19) .
C9 C3 1.41(2) .
C9 C50 1.44(2) .
C8 C7 1.426(18) .
C5 C25 1.36(3) .
C4 C24 1.42(2) .
C30 C24 1.34(3) .
C30 C26 1.40(2) .
C29 C25 1.40(2) .
C28 C23 1.39(2) .
O36 W2 1.909(12) 5_665
O34 W1 1.877(13) 5_665
