#------------------------------------------------------------------------------
#$Date: 2019-10-28 09:23:29 +0200 (Mon, 28 Oct 2019) $
#$Revision: 219800 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/83/2008331.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2008331
loop_
_publ_author_name
'Tripathi, Akhilesh'
'Young Jr., Victor G.'
'Johnson, Geoffrey M.'
'Cahill, Christopher L.'
'Parise, John B.'
_publ_contact_author
; Prof. John B. Parise
  Dept. of Geosciences
  SUNY Stony Brook
  NY 11794-2100
  USA
;
_publ_section_title
;
 [N(CH₃)₄]₄H₁₂Ge₉O₂₆^.^14H₂O
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              496
_journal_page_last               499
_journal_paper_doi               10.1107/S0108270198014838
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[N (C H3)4]4  Ge9 O26 H12  14H2 O'
_chemical_formula_moiety         '(C4 H12 N)4  [Ge9  O14 OH12 ].14(H2 O)'
_chemical_formula_sum            'C16 H88 Ge9 N4 O40'
_chemical_formula_weight         1630.22
_chemical_name_systematic        '(C4 H12 N)4  Ge9 H12 O26  14(H2 O)'
_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'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 111.6970(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.8627(3)
_cell_length_b                   12.6533(3)
_cell_length_c                   16.6278(4)
_cell_measurement_reflns_used    6714
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.23
_cell_measurement_theta_min      1.64
_cell_volume                     2710.02(11)
_computing_cell_refinement       'TWINDX  (Sparks, 1996)'
_computing_data_collection       'SMART  (Siemens, 1994)'
_computing_data_reduction        'SHELXTL (Sheldrick, 1994)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device       'Siemens SMART Platform CCD'
_diffrn_measurement_method       'Area detector'
_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  0.0503
_diffrn_reflns_av_sigmaI/netI    0.0753
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18384
_diffrn_reflns_theta_max         25.23
_diffrn_reflns_theta_min         1.64
_diffrn_standards_decay_%        'not measured'
_diffrn_standards_interval_count 'not measured'
_diffrn_standards_interval_time  'not measured'
_diffrn_standards_number         'not measured'
_exptl_absorpt_coefficient_mu    5.021
_exptl_absorpt_correction_T_max  0.99
_exptl_absorpt_correction_T_min  0.52
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.998
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1640
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.002
_refine_diff_density_max         0.727
_refine_diff_density_min         -0.970
_refine_ls_extinction_coef       'not refined'
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.149
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     375
_refine_ls_number_reflns         4763
_refine_ls_number_restraints     55
_refine_ls_restrained_S_all      1.074
_refine_ls_restrained_S_obs      1.140
_refine_ls_R_factor_all          0.0766
_refine_ls_R_factor_gt           0.0483
_refine_ls_shift/esd_max         -0.008
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0443P)²+4.3643P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1096
_refine_ls_wR_factor_ref         0.0998
_reflns_number_observed          3581
_reflns_number_total             4763
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            br1237.cif
_cod_data_source_block           attmage
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_geom_torsion_publ_flag' value
'No' changed to 'no' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (70 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.0443P)^2^+4.3643P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(Fo^2^)+(0.0443P)^2^+4.3643P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 

2019-10-22
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_weight         815.11
_cod_original_formula_units_Z            4
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C8 H44 Ge4.50 N2 O20'
_cod_database_code               2008331
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_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
Ge1 0.56604(6) 0.56035(6) 0.34876(5) 0.0131(2) Uani d . 1 . Ge
Ge2 0.36846(6) 0.42888(6) 0.25972(5) 0.0139(2) Uani d . 1 . Ge
Ge3 0.26240(6) 0.57901(6) 0.33930(5) 0.0124(2) Uani d . 1 . Ge
Ge4 0.45331(6) 0.71795(5) 0.41823(5) 0.0125(2) Uani d . 1 . Ge
Ge5 0.5000 0.5000 0.5000 0.0111(2) Uani d S 1 . Ge
O1 0.6747(4) 0.5793(4) 0.3192(3) 0.0226(13) Uani d . 1 . O
H1D 0.7033(4) 0.5193(4) 0.3181(3) 0.034 Uiso calc R 1 . H
O2 0.6041(4) 0.5029(4) 0.4500(3) 0.0121(11) Uani d . 1 . O
O3 0.4847(4) 0.4871(4) 0.2608(3) 0.0146(11) Uani d . 1 . O
O4 0.3307(4) 0.3749(4) 0.1533(3) 0.0175(11) Uani d . 1 . O
H4D 0.2740(4) 0.3398(4) 0.1415(3) 0.026 Uiso calc R 1 . H
O5 0.3819(4) 0.3118(4) 0.3187(3) 0.0174(13) Uani d . 1 . O
H5D 0.402(7) 0.324(7) 0.367(6) 0.026 Uiso d . 1 . H
O6 0.2616(4) 0.5131(4) 0.2433(3) 0.0167(12) Uani d . 1 . O
O7 0.1315(4) 0.6293(4) 0.2824(3) 0.0170(12) Uani d . 1 . O
H7D 0.0893(4) 0.5772(4) 0.2639(3) 0.026 Uiso calc R 1 . H
O8 0.2190(4) 0.5133(4) 0.4134(4) 0.0204(13) Uani d . 1 . O
H8D 0.258(7) 0.500(7) 0.454(6) 0.031 Uiso d . 1 . H
O9 0.3180(4) 0.7098(3) 0.3660(3) 0.0147(11) Uani d . 1 . O
O10 0.4744(4) 0.8542(4) 0.4421(3) 0.0196(12) Uani d . 1 . O
H10D 0.4474(4) 0.8902(4) 0.3952(3) 0.029 Uiso calc R 1 . H
O11 0.5089(4) 0.6495(3) 0.5142(3) 0.0108(10) Uani d . 1 . O
O12 0.5198(4) 0.6908(4) 0.3476(3) 0.0164(12) Uani d . 1 . O
O13 0.4022(4) 0.5211(4) 0.3876(3) 0.0126(11) Uani d . 1 . O
O14 0.8632(5) 0.4948(5) 0.4096(4) 0.041(2) Uani d D 1 . O
H14A 0.897(7) 0.462(7) 0.456(3) 0.061 Uiso d D 1 . H
H14B 0.876(8) 0.466(7) 0.369(4) 0.061 Uiso d D 1 . H
O15 0.6710(5) 0.4249(5) 0.1849(4) 0.042(2) Uani d D 1 . O
H15A 0.667(7) 0.463(7) 0.226(4) 0.063 Uiso d D 1 . H
H15B 0.729(4) 0.393(7) 0.206(5) 0.063 Uiso d D 1 . H
O16 0.4846(5) 0.3221(5) 0.0944(4) 0.039(2) Uani d D 1 . O
H16A 0.437(5) 0.345(7) 0.112(6) 0.059 Uiso d D 1 . H
H16B 0.536(4) 0.363(6) 0.118(6) 0.059 Uiso d D 1 . H
O17 1.0072(5) 0.4523(5) 0.2140(5) 0.042(2) Uani d D 1 . O
H17A 1.038(7) 0.512(4) 0.217(7) 0.063 Uiso d D 1 . H
H17B 1.027(8) 0.412(6) 0.182(6) 0.063 Uiso d D 1 . H
O18 0.0414(5) 0.6069(5) 0.4256(5) 0.040(2) Uani d D 1 . O
H18A 0.101(4) 0.597(7) 0.424(7) 0.060 Uiso d D 1 . H
H18B 0.025(7) 0.672(3) 0.409(7) 0.060 Uiso d D 1 . H
O19 0.3720(4) 0.0506(4) 0.4268(4) 0.0256(13) Uani d D 1 . O
H19A 0.370(7) 0.054(6) 0.374(2) 0.038 Uiso d D 1 . H
H19B 0.393(7) -0.012(3) 0.443(5) 0.038 Uiso d D 1 . H
O20 0.8581(5) 0.3241(5) 0.2300(5) 0.043(2) Uani d D 1 . O
H20A 0.874(7) 0.270(5) 0.207(6) 0.064 Uiso d D 1 . H
H20B 0.910(5) 0.366(6) 0.242(7) 0.064 Uiso d D 1 . H
N1 1.1439(5) 0.2246(5) 0.4281(4) 0.0214(15) Uani d U 1 . N
C1 1.1018(8) 0.1153(6) 0.4270(6) 0.037(2) Uani d U 1 . C
H1A 1.094(4) 0.1014(18) 0.4820(16) 0.056 Uiso calc R 1 . H
H1B 1.150(2) 0.0637(7) 0.419(4) 0.056 Uiso calc R 1 . H
H1C 1.034(2) 0.1093(15) 0.379(2) 0.056 Uiso calc R 1 . H
C2 1.0650(7) 0.3033(7) 0.4311(6) 0.037(2) Uani d U 1 . C
H2A 1.047(3) 0.290(3) 0.482(2) 0.055 Uiso calc R 1 . H
H2B 1.0025(17) 0.297(3) 0.3786(18) 0.055 Uiso calc R 1 . H
H2C 1.0935(17) 0.3748(7) 0.435(4) 0.055 Uiso calc R 1 . H
C3 1.2384(8) 0.2383(8) 0.5070(6) 0.050(3) Uani d U 1 . C
H3A 1.2211(13) 0.227(5) 0.5584(6) 0.075 Uiso calc R 1 . H
H3B 1.265(3) 0.3102(18) 0.508(2) 0.075 Uiso calc R 1 . H
H3C 1.2912(19) 0.187(4) 0.506(2) 0.075 Uiso calc R 1 . H
C4 1.1688(7) 0.2444(7) 0.3495(6) 0.033(2) Uani d U 1 . C
H4A 1.192(4) 0.3176(14) 0.3500(18) 0.049 Uiso calc R 1 . H
H4B 1.1067(13) 0.232(4) 0.2976(6) 0.049 Uiso calc R 1 . H
H4C 1.224(3) 0.196(3) 0.3493(18) 0.049 Uiso calc R 1 . H
N2 0.7016(5) 0.1841(5) 0.3746(4) 0.0228(15) Uani d U 1 . N
C5 0.6768(9) 0.0990(8) 0.4264(6) 0.054(3) Uani d U 1 . C
H5A 0.722(4) 0.107(3) 0.4875(9) 0.081 Uiso calc R 1 . H
H5B 0.688(5) 0.0298(8) 0.405(3) 0.081 Uiso calc R 1 . H
H5C 0.6041(17) 0.105(3) 0.421(4) 0.081 Uiso calc R 1 . H
C6 0.6378(7) 0.1669(8) 0.2821(6) 0.040(2) Uani d U 1 . C
H6A 0.5641(7) 0.174(5) 0.2731(9) 0.060 Uiso calc R 1 . H
H6B 0.651(3) 0.0958(19) 0.2650(11) 0.060 Uiso calc R 1 . H
H6C 0.656(3) 0.220(3) 0.2469(6) 0.060 Uiso calc R 1 . H
C7 0.8144(7) 0.1806(9) 0.3889(7) 0.051(3) Uani d U 1 . C
H7A 0.8556(7) 0.190(5) 0.4506(9) 0.076 Uiso calc R 1 . H
H7B 0.8306(12) 0.237(3) 0.356(3) 0.076 Uiso calc R 1 . H
H7C 0.8311(12) 0.112(2) 0.370(4) 0.076 Uiso calc R 1 . H
C8 0.6790(10) 0.2878(7) 0.4042(8) 0.058(3) Uani d U 1 . C
H8A 0.734(3) 0.306(3) 0.459(2) 0.087 Uiso calc R 1 . H
H8B 0.612(3) 0.2846(18) 0.412(4) 0.087 Uiso calc R 1 . H
H8C 0.676(6) 0.3417(12) 0.361(2) 0.087 Uiso calc R 1 . H
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'
Ge Ge 0.1547 1.8001 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O2 Ge1 O3 . . 117.6(2) yes
O2 Ge1 O1 . . 110.2(2) yes
O3 Ge1 O1 . . 101.0(2) yes
O2 Ge1 O12 . . 112.4(2) yes
O3 Ge1 O12 . . 111.6(2) yes
O1 Ge1 O12 . . 102.3(2) yes
O5 Ge2 O6 . . 120.5(2) yes
O5 Ge2 O3 . . 116.1(2) yes
O6 Ge2 O3 . . 117.4(2) yes
O5 Ge2 O4 . . 99.4(2) yes
O6 Ge2 O4 . . 99.0(2) yes
O3 Ge2 O4 . . 95.8(2) yes
O5 Ge2 O13 . . 88.2(2) yes
O6 Ge2 O13 . . 73.2(2) yes
O3 Ge2 O13 . . 84.6(2) yes
O4 Ge2 O13 . . 171.2(2) yes
O8 Ge3 O6 . . 120.6(2) yes
O8 Ge3 O9 . . 118.9(2) yes
O6 Ge3 O9 . . 120.3(2) yes
O8 Ge3 O7 . . 89.8(2) yes
O6 Ge3 O7 . . 91.3(2) yes
O9 Ge3 O7 . . 93.4(2) yes
O8 Ge3 O13 . . 94.5(2) yes
O6 Ge3 O13 . . 82.5(2) yes
O9 Ge3 O13 . . 88.5(2) yes
O7 Ge3 O13 . . 173.7(2) yes
O11 Ge4 O9 . . 117.3(2) yes
O11 Ge4 O10 . . 107.5(2) yes
O9 Ge4 O10 . . 103.0(2) yes
O11 Ge4 O12 . . 110.6(2) yes
O9 Ge4 O12 . . 112.5(2) yes
O10 Ge4 O12 . . 104.7(2) yes
O13 Ge5 O13 . 3_666 180.0 yes
O13 Ge5 O11 . . 88.4(2) yes
O13 Ge5 O11 3_666 . 91.6(2) yes
O13 Ge5 O11 . 3_666 91.6(2) yes
O13 Ge5 O11 3_666 3_666 88.4(2) yes
O11 Ge5 O11 . 3_666 180.0 yes
O13 Ge5 O2 . . 87.0(2) yes
O13 Ge5 O2 3_666 . 93.0(2) yes
O11 Ge5 O2 . . 90.6(2) yes
O11 Ge5 O2 3_666 . 89.4(2) yes
O13 Ge5 O2 . 3_666 93.0(2) yes
O13 Ge5 O2 3_666 3_666 87.0(2) yes
O11 Ge5 O2 . 3_666 89.4(2) yes
O11 Ge5 O2 3_666 3_666 90.6(2) yes
O2 Ge5 O2 . 3_666 180.0 no
Ge1 O2 Ge5 . . 115.1(2) no
Ge1 O3 Ge2 . . 122.2(3) no
Ge2 O6 Ge3 . . 114.5(3) no
Ge4 O9 Ge3 . . 117.1(2) no
Ge4 O11 Ge5 . . 113.4(2) no
Ge1 O12 Ge4 . . 116.6(3) no
Ge5 O13 Ge3 . . 134.9(3) no
Ge5 O13 Ge2 . . 131.9(2) no
Ge3 O13 Ge2 . . 88.8(2) no
C3 N1 C4 . . 109.9(7) no
C3 N1 C2 . . 108.1(7) no
C4 N1 C2 . . 109.1(6) no
C3 N1 C1 . . 109.4(7) no
C4 N1 C1 . . 111.0(6) no
C2 N1 C1 . . 109.2(7) no
C8 N2 C6 . . 111.0(8) no
C8 N2 C7 . . 108.2(7) no
C6 N2 C7 . . 110.4(7) no
C8 N2 C5 . . 109.1(7) no
C6 N2 C5 . . 108.4(7) no
C7 N2 C5 . . 109.7(8) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ge1 O2 . 1.728(5) yes
Ge1 O3 . 1.746(5) yes
Ge1 O1 . 1.766(5) yes
Ge1 O12 . 1.768(5) yes
Ge2 O5 . 1.749(5) yes
Ge2 O6 . 1.762(5) yes
Ge2 O3 . 1.767(5) yes
Ge2 O4 . 1.784(5) yes
Ge2 O13 . 2.317(5) yes
Ge3 O8 . 1.767(6) yes
Ge3 O6 . 1.797(5) yes
Ge3 O9 . 1.810(4) yes
Ge3 O7 . 1.823(5) yes
Ge3 O13 . 1.946(5) yes
Ge4 O11 . 1.727(4) yes
Ge4 O9 . 1.755(5) yes
Ge4 O10 . 1.769(5) yes
Ge4 O12 . 1.774(5) yes
Ge5 O13 . 1.879(5) yes
Ge5 O13 3_666 1.879(5) yes
Ge5 O11 . 1.905(4) yes
Ge5 O11 3_666 1.905(4) yes
Ge5 O2 . 1.913(5) yes
Ge5 O2 3_666 1.913(5) yes
N1 C3 . 1.481(11) no
N1 C4 . 1.491(10) no
N1 C2 . 1.494(10) no
N1 C1 . 1.499(10) no
N2 C8 . 1.474(10) no
N2 C6 . 1.481(11) no
N2 C7 . 1.494(11) no
N2 C5 . 1.495(10) no
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_site_symmetry_1
_geom_torsion
_geom_torsion_publ_flag
O3 Ge1 O2 Ge5 . -75.6(3) no
O1 Ge1 O2 Ge5 . 169.5(2) no
O12 Ge1 O2 Ge5 . 56.1(3) no
O13 Ge5 O2 Ge1 . 18.9(3) no
O13 Ge5 O2 Ge1 3_666 -161.1(3) no
O11 Ge5 O2 Ge1 . -69.4(3) no
O11 Ge5 O2 Ge1 3_666 110.6(3) no
O2 Ge5 O2 Ge1 3_666 133.(6) no
O2 Ge1 O3 Ge2 . 51.7(4) no
O1 Ge1 O3 Ge2 . 171.6(3) no
O12 Ge1 O3 Ge2 . -80.3(3) no
O5 Ge2 O3 Ge1 . -78.0(4) no
O6 Ge2 O3 Ge1 . 75.2(4) no
O4 Ge2 O3 Ge1 . 178.5(3) no
O13 Ge2 O3 Ge1 . 7.3(3) no
O5 Ge2 O6 Ge3 . 69.0(4) no
O3 Ge2 O6 Ge3 . -82.9(3) no
O4 Ge2 O6 Ge3 . 175.6(3) no
O13 Ge2 O6 Ge3 . -8.4(2) no
O8 Ge3 O6 Ge2 . -81.2(3) no
O9 Ge3 O6 Ge2 . 93.6(3) no
O7 Ge3 O6 Ge2 . -171.7(3) no
O13 Ge3 O6 Ge2 . 9.7(3) no
O11 Ge4 O9 Ge3 . -56.5(4) no
O10 Ge4 O9 Ge3 . -174.4(3) no
O12 Ge4 O9 Ge3 . 73.4(3) no
O8 Ge3 O9 Ge4 . 92.9(3) no
O6 Ge3 O9 Ge4 . -81.9(3) no
O7 Ge3 O9 Ge4 . -175.5(3) no
O13 Ge3 O9 Ge4 . -1.5(3) no
O9 Ge4 O11 Ge5 . 67.7(3) no
O10 Ge4 O11 Ge5 . -176.9(2) no
O12 Ge4 O11 Ge5 . -63.2(3) no
O13 Ge5 O11 Ge4 . -13.8(3) no
O13 Ge5 O11 Ge4 3_666 166.2(3) no
O11 Ge5 O11 Ge4 3_666 -57.(4) no
O2 Ge5 O11 Ge4 . 73.2(3) no
O2 Ge5 O11 Ge4 3_666 -106.8(3) no
O2 Ge1 O12 Ge4 . -33.5(4) no
O3 Ge1 O12 Ge4 . 101.1(3) no
O1 Ge1 O12 Ge4 . -151.6(3) no
O11 Ge4 O12 Ge1 . 36.6(3) no
O9 Ge4 O12 Ge1 . -96.6(3) no
O10 Ge4 O12 Ge1 . 152.2(3) no
O13 Ge5 O13 Ge3 3_666 -100.(9) no
O11 Ge5 O13 Ge3 . -65.5(4) no
O11 Ge5 O13 Ge3 3_666 114.5(4) no
O2 Ge5 O13 Ge3 . -156.1(4) no
O2 Ge5 O13 Ge3 3_666 23.9(4) no
O13 Ge5 O13 Ge2 3_666 111.(9) no
O11 Ge5 O13 Ge2 . 145.8(3) no
O11 Ge5 O13 Ge2 3_666 -34.2(3) no
O2 Ge5 O13 Ge2 . 55.1(3) no
O2 Ge5 O13 Ge2 3_666 -124.9(3) no
O8 Ge3 O13 Ge5 . -43.7(4) no
O6 Ge3 O13 Ge5 . -164.0(4) no
O9 Ge3 O13 Ge5 . 75.2(4) no
O7 Ge3 O13 Ge5 . -176.5(17) no
O8 Ge3 O13 Ge2 . 113.6(2) no
O6 Ge3 O13 Ge2 . -6.7(2) no
O9 Ge3 O13 Ge2 . -127.5(2) no
O7 Ge3 O13 Ge2 . -19.2(19) no
O5 Ge2 O13 Ge5 . 42.8(3) no
O6 Ge2 O13 Ge5 . 165.5(4) no
O3 Ge2 O13 Ge5 . -73.7(3) no
O4 Ge2 O13 Ge5 . -167.3(12) no
O5 Ge2 O13 Ge3 . -115.7(2) no
O6 Ge2 O13 Ge3 . 7.1(2) no
O3 Ge2 O13 Ge3 . 127.9(2) no
O4 Ge2 O13 Ge3 . 34.3(14) no
