#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:27:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179111 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/73/4307316.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_4307316
loop_
_publ_author_name
'Chun-Mei Wang'
'Shou-Tian Zheng'
'Guo-Yu Yang'
_publ_contact_author_address
;[a] The State Key Laboratory of Structural Chemistry,
Fujian Institute of Research on the Structure of Matter,
Chinese Academy of Sciences,
Fuzhou, Fujian 350002, China
[b] State Key Laboratory of Coordination Chemistry,
Nanjing University,
Nanjing, Jiangsu 210093, China
;
_publ_contact_author_email       ygy@ms.fjirsm.ac.cn
_publ_contact_author_fax         86-591-83710051
_publ_contact_author_name        'Guo-Yu Yang'
_publ_contact_author_phone       86-591-83710051
_publ_section_title
;
Novel Copper-Complex-Substituted Tungstogermanates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              616
_journal_page_last               618
_journal_paper_doi               10.1021/ic0618605
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C60 H68 Cu5 Ge N12 O41 W8'
_chemical_formula_weight         3474.35
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 91.981(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.541(3)
_cell_length_b                   22.600(4)
_cell_length_c                   18.760(3)
_cell_measurement_reflns_used    17908
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      2.0818
_cell_volume                     8280(2)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Saturn70 CCD'
_diffrn_measurement_method       CCD_Profile_fitting
_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  0.0392
_diffrn_reflns_av_sigmaI/netI    0.0473
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            53121
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    12.772
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7193
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    2.787
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             6436
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.2000
_refine_diff_density_max         2.594
_refine_diff_density_min         -1.649
_refine_diff_density_rms         0.199
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1098
_refine_ls_number_reflns         14565
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0382
_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)+(0.0485P)²+45.9533P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0907
_refine_ls_wR_factor_ref         0.0970
_reflns_number_gt                12630
_reflns_number_total             14565
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0618605si20060927_101901.cif
_cod_data_source_block           h021
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4307316
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.185753(18) 0.467268(16) 0.119823(18) 0.02479(9) Uani 1 1 d . . .
W2 W 0.324734(18) 0.388068(15) 0.227874(18) 0.02300(9) Uani 1 1 d . . .
W3 W 0.208494(18) 0.373450(17) 0.359870(19) 0.02631(9) Uani 1 1 d . . .
W4 W 0.410210(18) 0.538221(16) 0.24993(2) 0.02684(9) Uani 1 1 d . . .
W5 W 0.360878(19) 0.436598(17) 0.396306(19) 0.02858(10) Uani 1 1 d . . .
W6 W 0.076313(18) 0.452180(18) 0.253091(19) 0.02836(10) Uani 1 1 d . . .
W7 W 0.291890(19) 0.607426(16) 0.14888(2) 0.02809(10) Uani 1 1 d . . .
W8 W 0.109154(19) 0.585948(18) 0.18762(2) 0.03079(10) Uani 1 1 d . . .
Ge Ge 0.23785(4) 0.51937(4) 0.29626(5) 0.02273(19) Uani 1 1 d . . .
Cu1 Cu 0.12444(6) 0.49744(5) 0.42925(6) 0.0317(3) Uani 1 1 d . . .
Cu2 Cu 0.16022(6) 0.62494(5) 0.36882(7) 0.0366(3) Uani 1 1 d . . .
Cu3 Cu 0.35433(7) 0.67133(6) 0.29705(7) 0.0404(3) Uani 1 1 d . . .
Cu4 Cu 0.35208(6) 0.48266(5) 0.09898(6) 0.0280(2) Uani 1 1 d . . .
Cu5 Cu 0.25943(6) 0.24959(5) 0.25851(6) 0.0284(2) Uani 1 1 d . . .
O1 O 0.1860(3) 0.4388(3) 0.0344(3) 0.0333(15) Uani 1 1 d . . .
O2 O 0.1716(3) 0.5081(3) 0.2316(3) 0.0237(13) Uani 1 1 d . . .
O3 O 0.2481(3) 0.4140(3) 0.1675(3) 0.0272(14) Uani 1 1 d . . .
O4 O 0.1318(3) 0.5358(3) 0.1039(3) 0.0304(14) Uani 1 1 d . . .
O5 O 0.1093(3) 0.4288(3) 0.1562(3) 0.0262(13) Uani 1 1 d . . .
O6 O 0.2644(3) 0.5216(3) 0.1186(3) 0.0276(14) Uani 1 1 d . . .
O7 O 0.3845(3) 0.3847(3) 0.3056(3) 0.0285(14) Uani 1 1 d . . .
O8 O 0.3665(3) 0.4614(3) 0.2002(3) 0.0257(13) Uani 1 1 d . . .
O9 O 0.2714(3) 0.4484(3) 0.3143(3) 0.0225(13) Uani 1 1 d . . .
O10 O 0.2619(3) 0.3369(3) 0.2767(3) 0.0277(14) Uani 1 1 d . . .
O11 O 0.3607(3) 0.3383(3) 0.1717(4) 0.0345(15) Uani 1 1 d . . .
O12 O 0.1721(3) 0.4226(3) 0.4216(3) 0.0333(15) Uani 1 1 d . . .
O13 O 0.1760(3) 0.3060(3) 0.3853(3) 0.0356(15) Uani 1 1 d . . .
O14 O 0.1425(3) 0.3941(3) 0.2869(3) 0.0325(15) Uani 1 1 d . . .
O15 O 0.2965(3) 0.3730(3) 0.4119(3) 0.0318(15) Uani 1 1 d . . .
O16 O 0.4236(3) 0.6111(3) 0.2855(4) 0.0354(15) Uani 1 1 d . . .
O17 O 0.3006(3) 0.5628(3) 0.2582(3) 0.0267(13) Uani 1 1 d . . .
O18 O 0.3823(3) 0.5679(3) 0.1547(3) 0.0293(14) Uani 1 1 d . . .
O19 O 0.4000(3) 0.4970(3) 0.3354(3) 0.0315(14) Uani 1 1 d . . .
O20 O 0.4933(3) 0.5188(3) 0.2302(4) 0.0362(16) Uani 1 1 d . . .
O21 O 0.3263(3) 0.4876(3) 0.4547(4) 0.0416(17) Uani 1 1 d . . .
O22 O 0.4329(4) 0.4122(3) 0.4436(4) 0.0447(18) Uani 1 1 d . . .
O23 O 0.0737(3) 0.4835(3) 0.3405(3) 0.0344(15) Uani 1 1 d . . .
O24 O 0.0442(3) 0.5249(3) 0.2080(3) 0.0329(15) Uani 1 1 d . . .
O25 O 0.0023(3) 0.4092(3) 0.2485(4) 0.0383(16) Uani 1 1 d . . .
O26 O 0.1997(3) 0.6185(3) 0.1697(3) 0.0327(15) Uani 1 1 d . . .
O27 O 0.3251(3) 0.6701(3) 0.1981(4) 0.0357(16) Uani 1 1 d . . .
O28 O 0.2951(3) 0.6327(3) 0.0630(4) 0.0377(16) Uani 1 1 d . . .
O29 O 0.0567(4) 0.6357(3) 0.1429(4) 0.0454(18) Uani 1 1 d . . .
O30 O 0.1148(3) 0.6156(3) 0.2768(4) 0.0373(16) Uani 1 1 d . . .
O31 O 0.2038(3) 0.5505(3) 0.3716(3) 0.0299(14) Uani 1 1 d . . .
C1 C 0.2054(6) 0.4761(5) 0.5640(5) 0.044(3) Uani 1 1 d . . .
H1A H 0.2328 0.4521 0.5367 0.053 Uiso 1 1 calc R . .
C2 C 0.2193(7) 0.4805(7) 0.6362(7) 0.072(4) Uani 1 1 d . . .
H2A H 0.2560 0.4601 0.6573 0.087 Uiso 1 1 calc R . .
C3 C 0.1777(7) 0.5158(7) 0.6772(7) 0.078(5) Uani 1 1 d . . .
H3A H 0.1862 0.5196 0.7260 0.093 Uiso 1 1 calc R . .
C4 C 0.1242(6) 0.5447(6) 0.6444(6) 0.055(3) Uani 1 1 d . . .
H4A H 0.0951 0.5674 0.6715 0.066 Uiso 1 1 calc R . .
C5 C 0.1123(5) 0.5409(5) 0.5713(5) 0.037(2) Uani 1 1 d . . .
C6 C 0.0582(5) 0.5707(4) 0.5297(5) 0.036(2) Uani 1 1 d . . .
C7 C 0.0102(5) 0.6095(5) 0.5567(6) 0.043(3) Uani 1 1 d . . .
H7A H 0.0126 0.6187 0.6050 0.052 Uiso 1 1 calc R . .
C8 C -0.0393(6) 0.6339(5) 0.5155(7) 0.052(3) Uani 1 1 d . . .
H8A H -0.0710 0.6597 0.5343 0.062 Uiso 1 1 calc R . .
C9 C -0.0416(6) 0.6196(5) 0.4446(7) 0.052(3) Uani 1 1 d . . .
H9A H -0.0752 0.6360 0.4143 0.062 Uiso 1 1 calc R . .
C10 C 0.0059(5) 0.5808(5) 0.4180(6) 0.045(3) Uani 1 1 d . . .
H10A H 0.0041 0.5715 0.3696 0.054 Uiso 1 1 calc R . .
C11 C 0.2545(6) 0.6130(6) 0.4957(6) 0.056(3) Uani 1 1 d . . .
H11A H 0.2720 0.5804 0.4723 0.067 Uiso 1 1 calc R . .
C12 C 0.2810(7) 0.6292(7) 0.5638(7) 0.065(4) Uani 1 1 d . . .
H12A H 0.3164 0.6077 0.5857 0.078 Uiso 1 1 calc R . .
C13 C 0.2545(8) 0.6757(9) 0.5960(9) 0.092(5) Uani 1 1 d . . .
H13A H 0.2717 0.6859 0.6412 0.110 Uiso 1 1 calc R . .
C14 C 0.2016(8) 0.7105(8) 0.5648(8) 0.081(5) Uani 1 1 d . . .
H14A H 0.1837 0.7433 0.5875 0.098 Uiso 1 1 calc R . .
C15 C 0.1777(6) 0.6921(6) 0.4972(7) 0.056(3) Uani 1 1 d . . .
C16 C 0.1242(6) 0.7223(5) 0.4556(7) 0.056(3) Uani 1 1 d . . .
C17 C 0.0917(8) 0.7740(7) 0.4763(9) 0.083(5) Uani 1 1 d . . .
H17A H 0.1018 0.7907 0.5208 0.099 Uiso 1 1 calc R . .
C18 C 0.0449(8) 0.8000(7) 0.4303(10) 0.083(5) Uani 1 1 d . . .
H18A H 0.0234 0.8349 0.4434 0.100 Uiso 1 1 calc R . .
C19 C 0.0291(7) 0.7749(7) 0.3645(9) 0.077(4) Uani 1 1 d . . .
H19A H -0.0034 0.7923 0.3337 0.092 Uiso 1 1 calc R . .
C20 C 0.0624(6) 0.7234(6) 0.3448(8) 0.064(4) Uani 1 1 d . . .
H20A H 0.0526 0.7059 0.3008 0.077 Uiso 1 1 calc R . .
C21 C 0.4302(6) 0.6571(5) 0.4371(6) 0.049(3) Uani 1 1 d . . .
H21A H 0.4512 0.6243 0.4175 0.059 Uiso 1 1 calc R . .
C22 C 0.4501(6) 0.6753(6) 0.5035(7) 0.059(3) Uani 1 1 d . . .
H22A H 0.4849 0.6553 0.5285 0.071 Uiso 1 1 calc R . .
C23 C 0.4189(6) 0.7230(5) 0.5339(7) 0.054(3) Uani 1 1 d . . .
H23A H 0.4318 0.7359 0.5795 0.065 Uiso 1 1 calc R . .
C24 C 0.3682(6) 0.7509(5) 0.4946(7) 0.051(3) Uani 1 1 d . . .
H24A H 0.3465 0.7835 0.5140 0.061 Uiso 1 1 calc R . .
C25 C 0.3489(5) 0.7323(5) 0.4285(6) 0.039(2) Uani 1 1 d . . .
C26 C 0.2946(5) 0.7584(5) 0.3818(6) 0.045(3) Uani 1 1 d . . .
C27 C 0.2573(6) 0.8077(5) 0.3997(7) 0.050(3) Uani 1 1 d . . .
H27A H 0.2663 0.8269 0.4430 0.060 Uiso 1 1 calc R . .
C28 C 0.2061(7) 0.8287(6) 0.3527(7) 0.060(3) Uani 1 1 d . . .
H28A H 0.1805 0.8620 0.3636 0.072 Uiso 1 1 calc R . .
C29 C 0.1949(7) 0.7989(6) 0.2902(8) 0.063(4) Uani 1 1 d . . .
H29A H 0.1612 0.8122 0.2579 0.076 Uiso 1 1 calc R . .
C30 C 0.2329(6) 0.7487(5) 0.2739(7) 0.050(3) Uani 1 1 d . . .
H30A H 0.2234 0.7281 0.2319 0.060 Uiso 1 1 calc R . .
C31 C 0.4856(5) 0.4174(4) 0.1139(6) 0.042(3) Uani 1 1 d . . .
H31A H 0.4800 0.4193 0.1629 0.050 Uiso 1 1 calc R . .
C32 C 0.5438(6) 0.3917(5) 0.0892(8) 0.060(4) Uani 1 1 d . . .
H32A H 0.5760 0.3749 0.1206 0.072 Uiso 1 1 calc R . .
C33 C 0.5536(7) 0.3914(5) 0.0164(8) 0.062(4) Uani 1 1 d . . .
H33A H 0.5931 0.3750 -0.0016 0.075 Uiso 1 1 calc R . .
C34 C 0.5044(7) 0.4158(5) -0.0291(8) 0.062(4) Uani 1 1 d . . .
H34A H 0.5107 0.4170 -0.0779 0.075 Uiso 1 1 calc R . .
C35 C 0.4450(5) 0.4387(4) -0.0006(6) 0.039(3) Uani 1 1 d . . .
C36 C 0.3899(6) 0.4651(4) -0.0451(5) 0.041(3) Uani 1 1 d . . .
C37 C 0.3854(7) 0.4638(5) -0.1186(7) 0.057(4) Uani 1 1 d . . .
H37A H 0.4188 0.4447 -0.1442 0.069 Uiso 1 1 calc R . .
C38 C 0.3313(8) 0.4909(7) -0.1534(7) 0.068(4) Uani 1 1 d . . .
H38A H 0.3284 0.4912 -0.2030 0.081 Uiso 1 1 calc R . .
C39 C 0.2806(7) 0.5179(6) -0.1145(6) 0.060(3) Uani 1 1 d . . .
H39A H 0.2432 0.5358 -0.1377 0.072 Uiso 1 1 calc R . .
C40 C 0.2866(5) 0.5178(5) -0.0418(5) 0.041(3) Uani 1 1 d . . .
H40A H 0.2532 0.5364 -0.0156 0.050 Uiso 1 1 calc R . .
C41 C 0.3732(6) 0.1586(5) 0.2253(6) 0.043(3) Uani 1 1 d . . .
H41A H 0.3861 0.1607 0.2734 0.052 Uiso 1 1 calc R . .
C42 C 0.4086(6) 0.1208(5) 0.1815(6) 0.049(3) Uani 1 1 d . . .
H42A H 0.4461 0.0994 0.1993 0.059 Uiso 1 1 calc R . .
C43 C 0.3870(6) 0.1157(5) 0.1105(6) 0.047(3) Uani 1 1 d . . .
H43A H 0.4086 0.0895 0.0804 0.057 Uiso 1 1 calc R . .
C44 C 0.3332(5) 0.1498(5) 0.0852(5) 0.039(2) Uani 1 1 d . . .
H44A H 0.3191 0.1479 0.0374 0.047 Uiso 1 1 calc R . .
C45 C 0.3002(5) 0.1870(4) 0.1318(5) 0.029(2) Uani 1 1 d . . .
C46 C 0.2415(5) 0.2244(4) 0.1097(5) 0.0273(19) Uani 1 1 d . . .
C47 C 0.2099(5) 0.2254(4) 0.0430(5) 0.037(2) Uani 1 1 d . . .
H47A H 0.2233 0.1991 0.0080 0.044 Uiso 1 1 calc R . .
C48 C 0.1589(5) 0.2652(4) 0.0285(5) 0.037(2) Uani 1 1 d . . .
H48A H 0.1382 0.2667 -0.0169 0.044 Uiso 1 1 calc R . .
C49 C 0.1382(5) 0.3025(5) 0.0797(5) 0.039(2) Uani 1 1 d . . .
H49A H 0.1031 0.3294 0.0698 0.047 Uiso 1 1 calc R . .
C50 C 0.1692(5) 0.3005(4) 0.1463(5) 0.033(2) Uani 1 1 d . . .
H50A H 0.1553 0.3267 0.1813 0.039 Uiso 1 1 calc R . .
C51 C 0.3529(5) 0.2494(4) 0.3850(5) 0.032(2) Uani 1 1 d . . .
H51A H 0.3760 0.2794 0.3617 0.038 Uiso 1 1 calc R . .
C52 C 0.3773(6) 0.2311(5) 0.4512(6) 0.045(3) Uani 1 1 d . . .
H52A H 0.4159 0.2488 0.4724 0.054 Uiso 1 1 calc R . .
C53 C 0.3445(6) 0.1869(5) 0.4851(5) 0.042(3) Uani 1 1 d . . .
H53A H 0.3606 0.1739 0.5297 0.051 Uiso 1 1 calc R . .
C54 C 0.2868(5) 0.1609(4) 0.4528(5) 0.038(2) Uani 1 1 d . . .
H54A H 0.2644 0.1302 0.4753 0.046 Uiso 1 1 calc R . .
C55 C 0.2629(5) 0.1812(4) 0.3870(5) 0.033(2) Uani 1 1 d . . .
C56 C 0.2020(5) 0.1586(4) 0.3480(5) 0.032(2) Uani 1 1 d . . .
C57 C 0.1623(6) 0.1124(5) 0.3729(6) 0.052(3) Uani 1 1 d . . .
H57A H 0.1739 0.0940 0.4159 0.062 Uiso 1 1 calc R . .
C58 C 0.1051(6) 0.0939(6) 0.3328(7) 0.063(4) Uani 1 1 d . . .
H58A H 0.0790 0.0620 0.3474 0.075 Uiso 1 1 calc R . .
C59 C 0.0878(6) 0.1244(6) 0.2697(7) 0.053(3) Uani 1 1 d . . .
H59A H 0.0488 0.1142 0.2427 0.064 Uiso 1 1 calc R . .
C60 C 0.1287(5) 0.1690(5) 0.2486(6) 0.042(3) Uani 1 1 d . . .
H60A H 0.1177 0.1881 0.2058 0.050 Uiso 1 1 calc R . .
N1 N 0.1534(4) 0.5055(4) 0.5317(4) 0.0341(19) Uani 1 1 d . . .
N2 N 0.0541(4) 0.5567(4) 0.4599(4) 0.0339(19) Uani 1 1 d . . .
N3 N 0.2038(5) 0.6450(4) 0.4651(5) 0.046(2) Uani 1 1 d . . .
N4 N 0.1087(5) 0.6994(4) 0.3902(5) 0.049(2) Uani 1 1 d . . .
N5 N 0.3808(4) 0.6856(4) 0.3987(5) 0.042(2) Uani 1 1 d . . .
N6 N 0.2834(5) 0.7303(4) 0.3194(5) 0.046(2) Uani 1 1 d . . .
N7 N 0.4367(4) 0.4397(4) 0.0700(4) 0.036(2) Uani 1 1 d . . .
N8 N 0.3395(5) 0.4916(4) -0.0075(4) 0.041(2) Uani 1 1 d . . .
N9 N 0.3212(4) 0.1921(3) 0.2007(4) 0.0308(17) Uani 1 1 d . . .
N10 N 0.2192(4) 0.2614(3) 0.1620(4) 0.0288(17) Uani 1 1 d . . .
N11 N 0.2977(4) 0.2259(3) 0.3534(4) 0.0265(16) Uani 1 1 d . . .
N12 N 0.1848(4) 0.1872(3) 0.2870(4) 0.0324(18) Uani 1 1 d . . .
O1W O 0.4406(7) 0.7534(6) 0.2773(7) 0.117(4) Uiso 1 1 d . . .
O2W O 0.4297(6) -0.0282(5) 0.0566(6) 0.095(3) Uiso 1 1 d . . .
O3W O 0.5103(6) 0.3217(5) -0.1604(6) 0.092(3) Uiso 1 1 d . . .
O4W O 0.1147(6) 0.9450(5) 0.3346(7) 0.105(4) Uiso 1 1 d . . .
O5W O 0.4015(6) 0.5440(5) -0.3045(6) 0.095(3) Uiso 1 1 d . . .
O6W O 0.5394(7) 0.7619(6) 0.3812(7) 0.113(4) Uiso 1 1 d . . .
O7W O 0.4774(7) 0.8462(6) 0.1987(8) 0.130(5) Uiso 1 1 d . . .
O8W O -0.0514(8) 0.7908(7) 0.2010(9) 0.154(6) Uiso 1 1 d . . .
O9W O -0.0317(12) 0.9078(10) 0.5084(13) 0.226(10) Uiso 1 1 d . . .
O10W O 0.0775(9) 0.7424(8) 0.6628(10) 0.069(5) Uiso 0.50 1 d P . .
O11W O 0.0736(15) 0.9698(13) 0.4634(17) 0.135(10) Uiso 0.50 1 d P . .
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'
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
_geom_angle_publ_flag
O1 W1 O5 101.1(3) . . ?
O1 W1 O4 100.3(3) . . ?
O5 W1 O4 89.5(3) . . ?
O1 W1 O3 100.2(3) . . ?
O5 W1 O3 92.4(2) . . ?
O4 W1 O3 158.7(3) . . ?
O1 W1 O6 101.2(3) . . ?
O5 W1 O6 157.7(2) . . ?
O4 W1 O6 85.3(3) . . ?
O3 W1 O6 85.0(2) . . ?
O1 W1 O2 173.1(3) . . ?
O5 W1 O2 74.6(2) . . ?
O4 W1 O2 74.6(2) . . ?
O3 W1 O2 85.5(2) . . ?
O6 W1 O2 83.1(2) . . ?
O11 W2 O7 101.5(3) . . ?
O11 W2 O8 102.3(3) . . ?
O7 W2 O8 89.2(3) . . ?
O11 W2 O3 99.5(3) . . ?
O7 W2 O3 159.0(2) . . ?
O8 W2 O3 84.7(2) . . ?
O11 W2 O10 100.3(3) . . ?
O7 W2 O10 89.7(3) . . ?
O8 W2 O10 157.1(2) . . ?
O3 W2 O10 88.2(2) . . ?
O11 W2 O9 173.7(3) . . ?
O7 W2 O9 76.4(2) . . ?
O8 W2 O9 83.7(2) . . ?
O3 W2 O9 82.9(2) . . ?
O10 W2 O9 73.8(2) . . ?
O13 W3 O12 102.4(3) . . ?
O13 W3 O14 99.7(3) . . ?
O12 W3 O14 92.2(3) . . ?
O13 W3 O15 100.6(3) . . ?
O12 W3 O15 92.4(3) . . ?
O14 W3 O15 157.6(3) . . ?
O13 W3 O10 93.1(3) . . ?
O12 W3 O10 164.5(3) . . ?
O14 W3 O10 84.5(2) . . ?
O15 W3 O10 85.2(2) . . ?
O13 W3 O9 165.9(3) . . ?
O12 W3 O9 90.7(2) . . ?
O14 W3 O9 84.7(2) . . ?
O15 W3 O9 73.3(2) . . ?
O10 W3 O9 73.9(2) . . ?
O20 W4 O16 100.8(3) . . ?
O20 W4 O19 100.7(3) . . ?
O16 W4 O19 99.0(3) . . ?
O20 W4 O18 97.2(3) . . ?
O16 W4 O18 93.2(3) . . ?
O19 W4 O18 156.0(3) . . ?
O20 W4 O8 93.7(3) . . ?
O16 W4 O8 163.8(3) . . ?
O19 W4 O8 85.2(2) . . ?
O18 W4 O8 77.7(2) . . ?
O20 W4 O17 171.7(3) . . ?
O16 W4 O17 82.7(3) . . ?
O19 W4 O17 86.1(2) . . ?
O18 W4 O17 75.0(2) . . ?
O8 W4 O17 82.1(2) . . ?
O22 W5 O21 102.4(3) . . ?
O22 W5 O15 102.0(3) . . ?
O21 W5 O15 97.3(3) . . ?
O22 W5 O19 101.3(3) . . ?
O21 W5 O19 94.2(3) . . ?
O15 W5 O19 151.1(3) . . ?
O22 W5 O7 92.3(3) . . ?
O21 W5 O7 164.9(3) . . ?
O15 W5 O7 82.6(2) . . ?
O19 W5 O7 79.5(2) . . ?
O22 W5 O9 164.9(3) . . ?
O21 W5 O9 92.4(3) . . ?
O15 W5 O9 72.8(2) . . ?
O19 W5 O9 80.3(2) . . ?
O7 W5 O9 73.2(2) . . ?
O25 W6 O23 102.5(3) . . ?
O25 W6 O14 100.5(3) . . ?
O23 W6 O14 90.5(3) . . ?
O25 W6 O24 101.2(3) . . ?
O23 W6 O24 92.6(3) . . ?
O14 W6 O24 156.8(3) . . ?
O25 W6 O5 95.7(3) . . ?
O23 W6 O5 161.6(3) . . ?
O14 W6 O5 83.5(2) . . ?
O24 W6 O5 86.4(2) . . ?
O25 W6 O2 167.1(3) . . ?
O23 W6 O2 89.5(3) . . ?
O14 W6 O2 83.9(2) . . ?
O24 W6 O2 73.2(2) . . ?
O5 W6 O2 72.5(2) . . ?
O28 W7 O27 101.3(3) . . ?
O28 W7 O26 102.6(3) . . ?
O27 W7 O26 96.9(3) . . ?
O28 W7 O18 98.1(3) . . ?
O27 W7 O18 91.2(3) . . ?
O26 W7 O18 155.8(3) . . ?
O28 W7 O6 94.1(3) . . ?
O27 W7 O6 163.0(3) . . ?
O26 W7 O6 86.6(2) . . ?
O18 W7 O6 79.4(2) . . ?
O28 W7 O17 170.8(3) . . ?
O27 W7 O17 82.6(3) . . ?
O26 W7 O17 85.1(2) . . ?
O18 W7 O17 73.3(2) . . ?
O6 W7 O17 81.1(2) . . ?
O29 W8 O30 103.1(3) . . ?
O29 W8 O24 100.3(3) . . ?
O30 W8 O24 95.8(3) . . ?
O29 W8 O26 101.4(3) . . ?
O30 W8 O26 89.6(3) . . ?
O24 W8 O26 155.7(3) . . ?
O29 W8 O4 97.6(3) . . ?
O30 W8 O4 158.8(3) . . ?
O24 W8 O4 85.1(3) . . ?
O26 W8 O4 81.5(3) . . ?
O29 W8 O2 169.6(3) . . ?
O30 W8 O2 86.3(3) . . ?
O24 W8 O2 73.9(2) . . ?
O26 W8 O2 82.9(2) . . ?
O4 W8 O2 73.5(2) . . ?
O31 Ge O17 113.6(3) . . ?
O31 Ge O2 109.1(3) . . ?
O17 Ge O2 108.1(3) . . ?
O31 Ge O9 111.3(3) . . ?
O17 Ge O9 109.3(3) . . ?
O2 Ge O9 105.1(3) . . ?
O23 Cu1 O12 91.6(3) . . ?
O23 Cu1 N1 164.8(3) . . ?
O12 Cu1 N1 91.8(3) . . ?
O23 Cu1 N2 91.1(3) . . ?
O12 Cu1 N2 159.1(3) . . ?
N1 Cu1 N2 80.6(3) . . ?
O23 Cu1 O31 90.8(3) . . ?
O12 Cu1 O31 95.0(2) . . ?
N1 Cu1 O31 103.6(3) . . ?
N2 Cu1 O31 105.6(3) . . ?
O31 Cu2 O30 96.9(3) . . ?
O31 Cu2 N4 166.2(3) . . ?
O30 Cu2 N4 93.0(4) . . ?
O31 Cu2 N3 90.0(3) . . ?
O30 Cu2 N3 173.0(3) . . ?
N4 Cu2 N3 80.3(4) . . ?
O27 Cu3 O16 93.8(3) . . ?
O27 Cu3 N6 91.6(3) . . ?
O16 Cu3 N6 174.0(3) . . ?
O27 Cu3 N5 171.3(3) . . ?
O16 Cu3 N5 93.6(3) . . ?
N6 Cu3 N5 81.3(4) . . ?
O8 Cu4 O6 91.5(2) . . ?
O8 Cu4 N7 92.9(3) . . ?
O6 Cu4 N7 174.2(3) . . ?
O8 Cu4 N8 171.5(3) . . ?
O6 Cu4 N8 93.6(3) . . ?
N7 Cu4 N8 81.6(4) . . ?
O8 Cu4 O18 74.7(2) . . ?
O6 Cu4 O18 75.4(2) . . ?
N7 Cu4 O18 109.5(3) . . ?
N8 Cu4 O18 113.2(3) . . ?
N10 Cu5 N11 172.1(3) . . ?
N10 Cu5 O10 91.7(3) . . ?
N11 Cu5 O10 96.1(3) . . ?
N10 Cu5 N9 80.0(3) . . ?
N11 Cu5 N9 95.2(3) . . ?
O10 Cu5 N9 133.4(3) . . ?
N10 Cu5 N12 93.8(3) . . ?
N11 Cu5 N12 80.5(3) . . ?
O10 Cu5 N12 128.9(3) . . ?
N9 Cu5 N12 97.5(3) . . ?
Ge O2 W8 120.6(3) . . ?
Ge O2 W6 122.7(3) . . ?
W8 O2 W6 93.5(2) . . ?
Ge O2 W1 125.0(3) . . ?
W8 O2 W1 93.3(2) . . ?
W6 O2 W1 93.6(2) . . ?
W1 O3 W2 158.6(3) . . ?
W1 O4 W8 118.5(3) . . ?
W1 O5 W6 119.3(3) . . ?
W1 O6 Cu4 114.1(3) . . ?
W1 O6 W7 140.4(3) . . ?
Cu4 O6 W7 104.4(3) . . ?
W2 O7 W5 117.5(3) . . ?
W2 O8 Cu4 114.9(3) . . ?
W2 O8 W4 138.5(3) . . ?
Cu4 O8 W4 105.4(3) . . ?
Ge O9 W3 123.2(3) . . ?
Ge O9 W5 120.1(3) . . ?
W3 O9 W5 94.0(2) . . ?
Ge O9 W2 123.9(3) . . ?
W3 O9 W2 94.8(2) . . ?
W5 O9 W2 92.75(19) . . ?
W2 O10 Cu5 121.2(3) . . ?
W2 O10 W3 117.4(3) . . ?
Cu5 O10 W3 120.7(3) . . ?
W3 O12 Cu1 143.2(4) . . ?
W3 O14 W6 146.1(4) . . ?
W5 O15 W3 119.1(3) . . ?
W4 O16 Cu3 126.5(4) . . ?
Ge O17 W4 125.5(3) . . ?
Ge O17 W7 125.7(3) . . ?
W4 O17 W7 95.1(2) . . ?
W4 O18 W7 115.0(3) . . ?
W4 O18 Cu4 100.9(3) . . ?
W7 O18 Cu4 98.1(3) . . ?
W4 O19 W5 154.8(4) . . ?
W6 O23 Cu1 145.4(4) . . ?
W8 O24 W6 119.2(3) . . ?
W7 O26 W8 150.1(3) . . ?
W7 O27 Cu3 126.7(3) . . ?
W8 O30 Cu2 152.2(4) . . ?
Ge O31 Cu2 121.7(3) . . ?
Ge O31 Cu1 117.6(3) . . ?
Cu2 O31 Cu1 99.8(2) . . ?
N1 C1 C2 122.0(10) . . ?
N1 C1 H1A 119.0 . . ?
C2 C1 H1A 119.0 . . ?
C1 C2 C3 119.0(12) . . ?
C1 C2 H2A 120.5 . . ?
C3 C2 H2A 120.5 . . ?
C4 C3 C2 118.7(12) . . ?
C4 C3 H3A 120.6 . . ?
C2 C3 H3A 120.6 . . ?
C3 C4 C5 121.1(11) . . ?
C3 C4 H4A 119.4 . . ?
C5 C4 H4A 119.4 . . ?
N1 C5 C4 119.5(10) . . ?
N1 C5 C6 114.1(9) . . ?
C4 C5 C6 126.5(9) . . ?
N2 C6 C7 118.9(10) . . ?
N2 C6 C5 115.5(8) . . ?
C7 C6 C5 125.6(9) . . ?
C8 C7 C6 122.2(11) . . ?
C8 C7 H7A 118.9 . . ?
C6 C7 H7A 118.9 . . ?
C7 C8 C9 117.7(10) . . ?
C7 C8 H8A 121.1 . . ?
C9 C8 H8A 121.1 . . ?
C8 C9 C10 120.0(11) . . ?
C8 C9 H9A 120.0 . . ?
C10 C9 H9A 120.0 . . ?
N2 C10 C9 121.2(11) . . ?
N2 C10 H10A 119.4 . . ?
C9 C10 H10A 119.4 . . ?
N3 C11 C12 119.4(12) . . ?
N3 C11 H11A 120.3 . . ?
C12 C11 H11A 120.3 . . ?
C13 C12 C11 118.8(15) . . ?
C13 C12 H12A 120.6 . . ?
C11 C12 H12A 120.6 . . ?
C12 C13 C14 123.0(15) . . ?
C12 C13 H13A 118.5 . . ?
C14 C13 H13A 118.5 . . ?
C15 C14 C13 115.3(13) . . ?
C15 C14 H14A 122.3 . . ?
C13 C14 H14A 122.3 . . ?
N3 C15 C14 121.7(14) . . ?
N3 C15 C16 114.4(11) . . ?
C14 C15 C16 123.9(12) . . ?
N4 C16 C17 118.9(14) . . ?
N4 C16 C15 116.1(10) . . ?
C17 C16 C15 124.9(13) . . ?
C18 C17 C16 119.0(15) . . ?
C18 C17 H17A 120.5 . . ?
C16 C17 H17A 120.5 . . ?
C17 C18 C19 120.7(14) . . ?
C17 C18 H18A 119.7 . . ?
C19 C18 H18A 119.7 . . ?
C18 C19 C20 119.2(15) . . ?
C18 C19 H19A 120.4 . . ?
C20 C19 H19A 120.4 . . ?
N4 C20 C19 119.0(14) . . ?
N4 C20 H20A 120.5 . . ?
C19 C20 H20A 120.5 . . ?
N5 C21 C22 121.5(11) . . ?
N5 C21 H21A 119.2 . . ?
C22 C21 H21A 119.2 . . ?
C21 C22 C23 120.2(11) . . ?
C21 C22 H22A 119.9 . . ?
C23 C22 H22A 119.9 . . ?
C24 C23 C22 117.5(11) . . ?
C24 C23 H23A 121.3 . . ?
C22 C23 H23A 121.3 . . ?
C25 C24 C23 121.7(11) . . ?
C25 C24 H24A 119.1 . . ?
C23 C24 H24A 119.1 . . ?
C24 C25 N5 120.1(10) . . ?
C24 C25 C26 126.4(10) . . ?
N5 C25 C26 113.5(9) . . ?
N6 C26 C27 121.6(11) . . ?
N6 C26 C25 114.8(9) . . ?
C27 C26 C25 123.6(11) . . ?
C26 C27 C28 119.6(12) . . ?
C26 C27 H27A 120.2 . . ?
C28 C27 H27A 120.2 . . ?
C29 C28 C27 117.8(11) . . ?
C29 C28 H28A 121.1 . . ?
C27 C28 H28A 121.1 . . ?
C28 C29 C30 121.3(12) . . ?
C28 C29 H29A 119.4 . . ?
C30 C29 H29A 119.4 . . ?
N6 C30 C29 119.7(12) . . ?
N6 C30 H30A 120.1 . . ?
C29 C30 H30A 120.1 . . ?
N7 C31 C32 122.2(11) . . ?
N7 C31 H31A 118.9 . . ?
C32 C31 H31A 118.9 . . ?
C31 C32 C33 118.8(13) . . ?
C31 C32 H32A 120.6 . . ?
C33 C32 H32A 120.6 . . ?
C34 C33 C32 119.3(11) . . ?
C34 C33 H33A 120.3 . . ?
C32 C33 H33A 120.3 . . ?
C33 C34 C35 118.9(12) . . ?
C33 C34 H34A 120.5 . . ?
C35 C34 H34A 120.5 . . ?
N7 C35 C34 121.1(12) . . ?
N7 C35 C36 116.4(8) . . ?
C34 C35 C36 122.5(11) . . ?
N8 C36 C37 120.2(11) . . ?
N8 C36 C35 114.3(9) . . ?
C37 C36 C35 125.5(10) . . ?
C38 C37 C36 119.3(11) . . ?
C38 C37 H37A 120.4 . . ?
C36 C37 H37A 120.4 . . ?
C37 C38 C39 119.9(12) . . ?
C37 C38 H38A 120.1 . . ?
C39 C38 H38A 120.1 . . ?
C40 C39 C38 119.1(13) . . ?
C40 C39 H39A 120.5 . . ?
C38 C39 H39A 120.5 . . ?
N8 C40 C39 121.3(10) . . ?
N8 C40 H40A 119.3 . . ?
C39 C40 H40A 119.3 . . ?
N9 C41 C42 122.3(10) . . ?
N9 C41 H41A 118.9 . . ?
C42 C41 H41A 118.9 . . ?
C43 C42 C41 118.5(10) . . ?
C43 C42 H42A 120.7 . . ?
C41 C42 H42A 120.7 . . ?
C44 C43 C42 119.3(9) . . ?
C44 C43 H43A 120.4 . . ?
C42 C43 H43A 120.4 . . ?
C43 C44 C45 119.3(10) . . ?
C43 C44 H44A 120.4 . . ?
C45 C44 H44A 120.4 . . ?
N9 C45 C44 121.5(9) . . ?
N9 C45 C46 115.4(8) . . ?
C44 C45 C46 123.1(9) . . ?
N10 C46 C47 119.8(8) . . ?
N10 C46 C45 114.3(8) . . ?
C47 C46 C45 125.9(8) . . ?
C48 C47 C46 119.6(9) . . ?
C48 C47 H47A 120.2 . . ?
C46 C47 H47A 120.2 . . ?
C49 C48 C47 120.3(10) . . ?
C49 C48 H48A 119.8 . . ?
C47 C48 H48A 119.8 . . ?
C48 C49 C50 119.6(10) . . ?
C48 C49 H49A 120.2 . . ?
C50 C49 H49A 120.2 . . ?
N10 C50 C49 121.1(9) . . ?
N10 C50 H50A 119.4 . . ?
C49 C50 H50A 119.4 . . ?
N11 C51 C52 122.2(9) . . ?
N11 C51 H51A 118.9 . . ?
C52 C51 H51A 118.9 . . ?
C53 C52 C51 119.3(10) . . ?
C53 C52 H52A 120.4 . . ?
C51 C52 H52A 120.4 . . ?
C52 C53 C54 119.6(10) . . ?
C52 C53 H53A 120.2 . . ?
C54 C53 H53A 120.2 . . ?
C55 C54 C53 119.6(9) . . ?
C55 C54 H54A 120.2 . . ?
C53 C54 H54A 120.2 . . ?
C54 C55 N11 119.5(9) . . ?
C54 C55 C56 124.9(9) . . ?
N11 C55 C56 115.6(8) . . ?
N12 C56 C57 121.3(9) . . ?
N12 C56 C55 115.4(8) . . ?
C57 C56 C55 123.2(9) . . ?
C56 C57 C58 119.4(11) . . ?
C56 C57 H57A 120.3 . . ?
C58 C57 H57A 120.3 . . ?
C57 C58 C59 118.4(10) . . ?
C57 C58 H58A 120.8 . . ?
C59 C58 H58A 120.8 . . ?
C60 C59 C58 119.1(10) . . ?
C60 C59 H59A 120.5 . . ?
C58 C59 H59A 120.5 . . ?
C59 C60 N12 123.1(10) . . ?
C59 C60 H60A 118.5 . . ?
N12 C60 H60A 118.5 . . ?
C1 N1 C5 119.6(9) . . ?
C1 N1 Cu1 125.1(6) . . ?
C5 N1 Cu1 115.1(7) . . ?
C10 N2 C6 120.0(9) . . ?
C10 N2 Cu1 125.5(7) . . ?
C6 N2 Cu1 114.5(7) . . ?
C15 N3 C11 121.7(11) . . ?
C15 N3 Cu2 115.3(9) . . ?
C11 N3 Cu2 123.0(8) . . ?
C20 N4 C16 123.1(11) . . ?
C20 N4 Cu2 123.1(9) . . ?
C16 N4 Cu2 113.7(8) . . ?
C21 N5 C25 118.9(10) . . ?
C21 N5 Cu3 126.4(7) . . ?
C25 N5 Cu3 114.4(7) . . ?
C26 N6 C30 119.9(10) . . ?
C26 N6 Cu3 114.2(8) . . ?
C30 N6 Cu3 125.2(8) . . ?
C31 N7 C35 119.6(9) . . ?
C31 N7 Cu4 126.3(7) . . ?
C35 N7 Cu4 113.9(7) . . ?
C40 N8 C36 120.2(9) . . ?
C40 N8 Cu4 126.0(7) . . ?
C36 N8 Cu4 113.7(8) . . ?
C41 N9 C45 119.0(8) . . ?
C41 N9 Cu5 128.0(7) . . ?
C45 N9 Cu5 112.8(6) . . ?
C50 N10 C46 119.4(8) . . ?
C50 N10 Cu5 123.8(6) . . ?
C46 N10 Cu5 116.7(6) . . ?
C51 N11 C55 119.7(8) . . ?
C51 N11 Cu5 124.8(6) . . ?
C55 N11 Cu5 115.5(6) . . ?
C56 N12 C60 118.6(8) . . ?
C56 N12 Cu5 112.5(6) . . ?
C60 N12 Cu5 128.5(7) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W1 O1 1.728(6) . ?
W1 O5 1.876(6) . ?
W1 O4 1.892(6) . ?
W1 O3 1.913(6) . ?
W1 O6 1.967(6) . ?
W1 O2 2.317(5) . ?
W2 O11 1.708(6) . ?
W2 O7 1.837(6) . ?
W2 O8 1.927(6) . ?
W2 O3 1.936(6) . ?
W2 O10 1.941(6) . ?
W2 O9 2.386(5) . ?
W3 O13 1.725(6) . ?
W3 O12 1.770(6) . ?
W3 O14 1.907(6) . ?
W3 O15 1.948(6) . ?
W3 O10 2.078(6) . ?
W3 O9 2.276(6) . ?
W4 O20 1.734(6) . ?
W4 O16 1.793(6) . ?
W4 O19 1.870(6) . ?
W4 O18 1.968(6) . ?
W4 O8 2.134(6) . ?
W4 O17 2.223(6) . ?
W5 O22 1.729(7) . ?
W5 O21 1.743(6) . ?
W5 O15 1.939(6) . ?
W5 O19 1.954(6) . ?
W5 O7 2.131(6) . ?
W5 O9 2.305(6) . ?
W6 O25 1.741(6) . ?
W6 O23 1.788(6) . ?
W6 O14 1.933(6) . ?
W6 O24 1.942(7) . ?
W6 O5 2.020(6) . ?
W6 O2 2.298(6) . ?
W7 O28 1.712(6) . ?
W7 O27 1.799(7) . ?
W7 O26 1.873(6) . ?
W7 O18 1.979(6) . ?
W7 O6 2.087(6) . ?
W7 O17 2.287(6) . ?
W8 O29 1.720(7) . ?
W8 O30 1.802(7) . ?
W8 O24 1.923(6) . ?
W8 O26 1.957(6) . ?
W8 O4 1.998(6) . ?
W8 O2 2.280(6) . ?
Ge O31 1.733(6) . ?
Ge O17 1.743(6) . ?
Ge O2 1.761(6) . ?
Ge O9 1.761(6) . ?
Cu1 O23 1.935(7) . ?
Cu1 O12 1.939(6) . ?
Cu1 N1 1.994(8) . ?
Cu1 N2 2.018(8) . ?
Cu1 O31 2.265(6) . ?
Cu2 O31 1.885(6) . ?
Cu2 O30 1.925(7) . ?
Cu2 N4 2.008(9) . ?
Cu2 N3 2.021(10) . ?
Cu3 O27 1.923(7) . ?
Cu3 O16 1.936(6) . ?
Cu3 N6 1.978(9) . ?
Cu3 N5 1.985(9) . ?
Cu4 O8 1.970(6) . ?
Cu4 O6 1.972(6) . ?
Cu4 N7 2.009(8) . ?
Cu4 N8 2.014(8) . ?
Cu4 O18 2.261(6) . ?
Cu5 N10 1.966(7) . ?
Cu5 N11 1.981(7) . ?
Cu5 O10 2.002(6) . ?
Cu5 N9 2.100(8) . ?
Cu5 N12 2.110(8) . ?
C1 N1 1.340(13) . ?
C1 C2 1.377(17) . ?
C1 H1A 0.9300 . ?
C2 C3 1.390(17) . ?
C2 H2A 0.9300 . ?
C3 C4 1.362(17) . ?
C3 H3A 0.9300 . ?
C4 C5 1.385(15) . ?
C4 H4A 0.9300 . ?
C5 N1 1.369(12) . ?
C5 C6 1.458(15) . ?
C6 N2 1.346(12) . ?
C6 C7 1.393(13) . ?
C7 C8 1.335(16) . ?
C7 H7A 0.9300 . ?
C8 C9 1.367(17) . ?
C8 H8A 0.9300 . ?
C9 C10 1.384(15) . ?
C9 H9A 0.9300 . ?
C10 N2 1.323(13) . ?
C10 H10A 0.9300 . ?
C11 N3 1.340(15) . ?
C11 C12 1.409(18) . ?
C11 H11A 0.9300 . ?
C12 C13 1.33(2) . ?
C12 H12A 0.9300 . ?
C13 C14 1.41(2) . ?
C13 H13A 0.9300 . ?
C14 C15 1.399(18) . ?
C14 H14A 0.9300 . ?
C15 N3 1.332(14) . ?
C15 C16 1.453(19) . ?
C16 N4 1.357(15) . ?
C16 C17 1.392(17) . ?
C17 C18 1.37(2) . ?
C17 H17A 0.9300 . ?
C18 C19 1.38(2) . ?
C18 H18A 0.9300 . ?
C19 C20 1.389(17) . ?
C19 H19A 0.9300 . ?
C20 N4 1.336(16) . ?
C20 H20A 0.9300 . ?
C21 N5 1.348(14) . ?
C21 C22 1.356(17) . ?
C21 H21A 0.9300 . ?
C22 C23 1.372(16) . ?
C22 H22A 0.9300 . ?
C23 C24 1.368(16) . ?
C23 H23A 0.9300 . ?
C24 C25 1.352(15) . ?
C24 H24A 0.9300 . ?
C25 N5 1.356(12) . ?
C25 C26 1.475(15) . ?
C26 N6 1.343(14) . ?
C26 C27 1.379(15) . ?
C27 C28 1.394(17) . ?
C27 H27A 0.9300 . ?
C28 C29 1.363(18) . ?
C28 H28A 0.9300 . ?
C29 C30 1.395(16) . ?
C29 H29A 0.9300 . ?
C30 N6 1.348(14) . ?
C30 H30A 0.9300 . ?
C31 N7 1.339(14) . ?
C31 C32 1.370(15) . ?
C31 H31A 0.9300 . ?
C32 C33 1.385(19) . ?
C32 H32A 0.9300 . ?
C33 C34 1.38(2) . ?
C33 H33A 0.9300 . ?
C34 C35 1.394(14) . ?
C34 H34A 0.9300 . ?
C35 N7 1.340(13) . ?
C35 C36 1.467(16) . ?
C36 N8 1.369(12) . ?
C36 C37 1.378(16) . ?
C37 C38 1.369(19) . ?
C37 H37A 0.9300 . ?
C38 C39 1.392(18) . ?
C38 H38A 0.9300 . ?
C39 C40 1.363(15) . ?
C39 H39A 0.9300 . ?
C40 N8 1.338(13) . ?
C40 H40A 0.9300 . ?
C41 N9 1.337(13) . ?
C41 C42 1.387(14) . ?
C41 H41A 0.9300 . ?
C42 C43 1.388(16) . ?
C42 H42A 0.9300 . ?
C43 C44 1.374(15) . ?
C43 H43A 0.9300 . ?
C44 C45 1.388(12) . ?
C44 H44A 0.9300 . ?
C45 N9 1.349(12) . ?
C45 C46 1.472(13) . ?
C46 N10 1.372(11) . ?
C46 C47 1.376(13) . ?
C47 C48 1.363(14) . ?
C47 H47A 0.9300 . ?
C48 C49 1.350(14) . ?
C48 H48A 0.9300 . ?
C49 C50 1.371(14) . ?
C49 H49A 0.9300 . ?
C50 N10 1.344(11) . ?
C50 H50A 0.9300 . ?
C51 N11 1.323(11) . ?
C51 C52 1.379(14) . ?
C51 H51A 0.9300 . ?
C52 C53 1.358(15) . ?
C52 H52A 0.9300 . ?
C53 C54 1.392(15) . ?
C53 H53A 0.9300 . ?
C54 C55 1.382(13) . ?
C54 H54A 0.9300 . ?
C55 N11 1.382(12) . ?
C55 C56 1.467(13) . ?
C56 N12 1.348(12) . ?
C56 C57 1.391(14) . ?
C57 C58 1.389(16) . ?
C57 H57A 0.9300 . ?
C58 C59 1.401(17) . ?
C58 H58A 0.9300 . ?
C59 C60 1.353(15) . ?
C59 H59A 0.9300 . ?
C60 N12 1.355(12) . ?
C60 H60A 0.9300 . ?
