#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/36/4343608.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_4343608
loop_
_publ_author_name
'Kysliak, Oleksandr'
'Schrenk, Claudio'
'Schnepf, Andreas'
_publ_section_title
;
 {Ge9[Si(SiMe3)2(SiPh3)]3}(-): Ligand Modification in Metalloid Germanium
 Cluster Chemistry.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7083
_journal_page_last               7088
_journal_paper_doi               10.1021/acs.inorgchem.5b01130
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C220 H350 Ge18 Hg O19 Si24'
_chemical_formula_weight         5480.37
_chemical_name_systematic
; 
 ? 
;
_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                112.591(2)
_cell_angle_beta                 108.382(2)
_cell_angle_gamma                103.660(2)
_cell_formula_units_Z            1
_cell_length_a                   19.1052(19)
_cell_length_b                   20.270(2)
_cell_length_c                   20.835(2)
_cell_measurement_reflns_used    9974
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.04
_cell_measurement_theta_min      2.38
_cell_volume                     6454.9(11)
_computing_cell_refinement       'SAINT V.8.27 (Bruker AXS Inc., 2012)'
_computing_data_collection       'APEX2 v.2014.1-1 (Bruker AXS Inc., 2014)'
_computing_data_reduction        'SAINT V.8.27 (Bruker AXS Inc., 2012)'
_computing_molecular_graphics    'SHELXTL 5.1 (Bruker AXS Inc., 1997)'
_computing_publication_material  'SHELXTL 5.1 (Bruker AXS Inc., 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker SMART Apex'
_diffrn_measurement_method       'CCD 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  0.0399
_diffrn_reflns_av_sigmaI/netI    0.0726
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            54773
_diffrn_reflns_theta_full        26.39
_diffrn_reflns_theta_max         26.39
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    2.817
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6472
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS 2.10 (Bruker AXS Inc., 2005)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2814
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.396
_refine_diff_density_min         -1.044
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1108
_refine_ls_number_reflns         25981
_refine_ls_number_restraints     180
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0965
_refine_ls_R_factor_gt           0.0493
_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)+(0.0672P)²+9.7641P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1170
_refine_ls_wR_factor_ref         0.1394
_reflns_number_gt                17294
_reflns_number_total             25981
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b01130_si_003.cif
_cod_data_source_block           k16p-1
_cod_depositor_comments
'Adding full bibliography for 4343607--4343608.cif.'
_cod_original_cell_volume        6454.6(11)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4343608
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Hg1 Hg 0.5000 0.0000 0.5000 0.02636(9) Uani 1 2 d S . .
Ge1 Ge 0.56546(3) -0.02185(3) 0.70874(3) 0.02488(14) Uani 1 1 d . . .
Ge2 Ge 0.66808(4) 0.17560(3) 0.74574(3) 0.02557(14) Uani 1 1 d . . .
Ge3 Ge 0.73122(3) 0.02131(3) 0.65831(3) 0.02517(14) Uani 1 1 d . . .
Ge4 Ge 0.66372(3) 0.09969(3) 0.61641(3) 0.02429(14) Uani 1 1 d . . .
Ge5 Ge 0.53106(3) 0.06603(3) 0.65878(3) 0.02346(13) Uani 1 1 d . . .
Ge6 Ge 0.58239(3) -0.05907(3) 0.58768(3) 0.02344(13) Uani 1 1 d . . .
Ge7 Ge 0.78833(3) 0.14140(4) 0.79385(3) 0.02928(15) Uani 1 1 d . . .
Ge8 Ge 0.66869(4) 0.11006(4) 0.83017(3) 0.02899(15) Uani 1 1 d . . .
Ge9 Ge 0.71437(4) -0.00186(4) 0.76641(4) 0.02888(15) Uani 1 1 d . . .
Si1 Si 0.47085(9) -0.11623(9) 0.71588(9) 0.0270(3) Uani 1 1 d . A .
Si2 Si 0.68247(10) 0.30844(9) 0.80118(9) 0.0307(4) Uani 1 1 d . . .
Si3 Si 0.82378(9) -0.01573(9) 0.61359(9) 0.0269(4) Uani 1 1 d . . .
Si10 Si 0.48879(10) -0.05921(10) 0.84522(10) 0.0317(4) Uani 1 1 d . . .
Si11 Si 0.34028(10) -0.14530(11) 0.62663(10) 0.0419(5) Uani 1 1 d D . .
Si12 Si 0.49483(13) -0.23079(11) 0.67493(12) 0.0476(5) Uani 1 1 d D . .
Si20 Si 0.82098(10) 0.38815(9) 0.88672(10) 0.0343(4) Uani 1 1 d . . .
Si21 Si 0.63306(12) 0.33299(10) 0.69721(11) 0.0412(4) Uani 1 1 d . . .
Si22 Si 0.59693(13) 0.31775(11) 0.86184(12) 0.0482(5) Uani 1 1 d . . .
Si30 Si 0.88758(10) -0.06936(10) 0.68463(10) 0.0319(4) Uani 1 1 d . . .
Si31 Si 0.74958(11) -0.10657(12) 0.47873(10) 0.0483(5) Uani 1 1 d . . .
Si32 Si 0.91607(10) 0.09808(10) 0.63145(10) 0.0336(4) Uani 1 1 d . . .
C10N C 0.5024(4) -0.1542(4) 0.9182(4) 0.0422(16) Uani 1 1 d . . .
H10A H 0.5570 -0.1174 0.9511 0.051 Uiso 1 1 calc R . .
C10G C 0.5984(4) 0.0046(4) 0.9170(3) 0.0334(14) Uani 1 1 d . . .
C10J C 0.7611(4) 0.0996(5) 1.0204(4) 0.052(2) Uani 1 1 d . . .
H10B H 0.8164 0.1321 1.0558 0.062 Uiso 1 1 calc R . .
C10L C 0.6226(4) 0.0784(4) 0.9777(4) 0.0389(16) Uani 1 1 d . . .
H10C H 0.5827 0.0968 0.9847 0.047 Uiso 1 1 calc R . .
C10A C 0.4295(4) 0.0019(4) 0.8577(3) 0.0342(14) Uani 1 1 d . . .
C10K C 0.7032(4) 0.1265(4) 1.0288(4) 0.0490(19) Uani 1 1 d . . .
H10D H 0.7184 0.1776 1.0693 0.059 Uiso 1 1 calc R . .
C10M C 0.4517(4) -0.1430(4) 0.8622(3) 0.0376(15) Uani 1 1 d . . .
C10I C 0.7394(4) 0.0252(5) 0.9605(4) 0.0504(19) Uani 1 1 d . . .
H10E H 0.7794 0.0066 0.9544 0.061 Uiso 1 1 calc R . .
C10F C 0.3663(4) -0.0139(4) 0.8766(4) 0.0447(17) Uani 1 1 d . . .
H10F H 0.3515 -0.0584 0.8829 0.054 Uiso 1 1 calc R . .
C10H C 0.6577(4) -0.0214(4) 0.9098(4) 0.0409(16) Uani 1 1 d . . .
H10G H 0.6424 -0.0725 0.8690 0.049 Uiso 1 1 calc R . .
C10B C 0.4484(4) 0.0677(4) 0.8491(4) 0.0446(17) Uani 1 1 d . . .
H10H H 0.4910 0.0803 0.8358 0.053 Uiso 1 1 calc R . .
C10O C 0.4736(5) -0.2183(4) 0.9259(4) 0.055(2) Uani 1 1 d . . .
H10I H 0.5087 -0.2254 0.9642 0.066 Uiso 1 1 calc R . .
C10E C 0.3243(4) 0.0333(5) 0.8866(4) 0.059(2) Uani 1 1 d . . .
H10J H 0.2809 0.0205 0.8988 0.071 Uiso 1 1 calc R . .
C10D C 0.3450(4) 0.0978(5) 0.8791(4) 0.058(2) Uani 1 1 d . . .
H10K H 0.3168 0.1307 0.8873 0.069 Uiso 1 1 calc R . .
C10C C 0.4067(4) 0.1157(4) 0.8594(5) 0.057(2) Uani 1 1 d . . .
H10L H 0.4206 0.1601 0.8530 0.069 Uiso 1 1 calc R . .
C10P C 0.3957(6) -0.2715(5) 0.8797(5) 0.074(3) Uani 1 1 d . . .
H10M H 0.3770 -0.3158 0.8852 0.089 Uiso 1 1 calc R . .
C10Q C 0.3442(5) -0.2613(5) 0.8252(5) 0.081(3) Uani 1 1 d . . .
H10N H 0.2893 -0.2975 0.7937 0.097 Uiso 1 1 calc R . .
C10R C 0.3725(5) -0.1985(5) 0.8163(4) 0.065(2) Uani 1 1 d . . .
H10O H 0.3367 -0.1926 0.7774 0.078 Uiso 1 1 calc R . .
C11A C 0.2539(7) -0.2032(8) 0.6339(8) 0.044(3) Uiso 0.50 1 d PD A 1
H11A H 0.2028 -0.2118 0.5945 0.067 Uiso 0.50 1 calc PR A 1
H11B H 0.2580 -0.1743 0.6859 0.067 Uiso 0.50 1 calc PR A 1
H11C H 0.2555 -0.2538 0.6251 0.067 Uiso 0.50 1 calc PR A 1
C11C C 0.3223(9) -0.1948(9) 0.5240(7) 0.049(4) Uiso 0.50 1 d PD A 1
H11D H 0.2673 -0.2054 0.4897 0.074 Uiso 0.50 1 calc PR A 1
H11E H 0.3286 -0.2441 0.5113 0.074 Uiso 0.50 1 calc PR A 1
H11F H 0.3613 -0.1609 0.5167 0.074 Uiso 0.50 1 calc PR A 1
C11B C 0.3264(8) -0.0486(6) 0.6501(7) 0.038(3) Uiso 0.50 1 d PD A 1
H11G H 0.2724 -0.0598 0.6134 0.056 Uiso 0.50 1 calc PR A 1
H11H H 0.3672 -0.0136 0.6454 0.056 Uiso 0.50 1 calc PR A 1
H11I H 0.3327 -0.0234 0.7034 0.056 Uiso 0.50 1 calc PR A 1
C11F C 0.2722(11) -0.2484(8) 0.5978(11) 0.085(6) Uiso 0.50 1 d PD A 2
H11J H 0.2172 -0.2628 0.5605 0.128 Uiso 0.50 1 calc PR A 2
H11K H 0.2716 -0.2492 0.6443 0.128 Uiso 0.50 1 calc PR A 2
H11L H 0.2930 -0.2858 0.5738 0.128 Uiso 0.50 1 calc PR A 2
C11E C 0.2926(11) -0.0812(10) 0.6578(11) 0.079(5) Uiso 0.50 1 d PD A 2
H11M H 0.2390 -0.1000 0.6154 0.118 Uiso 0.50 1 calc PR A 2
H11N H 0.3257 -0.0282 0.6718 0.118 Uiso 0.50 1 calc PR A 2
H11O H 0.2870 -0.0804 0.7033 0.118 Uiso 0.50 1 calc PR A 2
C11D C 0.3439(9) -0.1569(9) 0.5352(7) 0.040(3) Uiso 0.50 1 d PD A 2
H11P H 0.2903 -0.1691 0.4969 0.060 Uiso 0.50 1 calc PR A 2
H11Q H 0.3604 -0.1995 0.5145 0.060 Uiso 0.50 1 calc PR A 2
H11R H 0.3829 -0.1081 0.5460 0.060 Uiso 0.50 1 calc PR A 2
C12A C 0.5122(11) -0.2473(10) 0.5866(8) 0.047(4) Uiso 0.50 1 d PD A 1
H12A H 0.5225 -0.2947 0.5680 0.070 Uiso 0.50 1 calc PR A 1
H12B H 0.5590 -0.2023 0.6008 0.070 Uiso 0.50 1 calc PR A 1
H12C H 0.4643 -0.2536 0.5453 0.070 Uiso 0.50 1 calc PR A 1
C12B C 0.3958(8) -0.3175(8) 0.6347(9) 0.061(4) Uiso 0.50 1 d PD A 1
H12D H 0.4040 -0.3661 0.6173 0.091 Uiso 0.50 1 calc PR A 1
H12E H 0.3540 -0.3203 0.5907 0.091 Uiso 0.50 1 calc PR A 1
H12F H 0.3787 -0.3105 0.6757 0.091 Uiso 0.50 1 calc PR A 1
C12C C 0.5763(9) -0.2353(10) 0.7451(9) 0.064(5) Uiso 0.50 1 d PD A 1
H12G H 0.5792 -0.2860 0.7205 0.096 Uiso 0.50 1 calc PR A 1
H12H H 0.5662 -0.2291 0.7899 0.096 Uiso 0.50 1 calc PR A 1
H12I H 0.6276 -0.1932 0.7627 0.096 Uiso 0.50 1 calc PR A 1
C12D C 0.6051(7) -0.2085(9) 0.7398(8) 0.053(4) Uiso 0.50 1 d PD A 2
H12J H 0.6141 -0.2567 0.7221 0.080 Uiso 0.50 1 calc PR A 2
H12K H 0.6146 -0.1882 0.7941 0.080 Uiso 0.50 1 calc PR A 2
H12L H 0.6424 -0.1694 0.7360 0.080 Uiso 0.50 1 calc PR A 2
C12E C 0.4825(11) -0.2659(9) 0.5751(7) 0.047(4) Uiso 0.50 1 d PD A 2
H12M H 0.4924 -0.3136 0.5577 0.070 Uiso 0.50 1 calc PR A 2
H12N H 0.5211 -0.2255 0.5737 0.070 Uiso 0.50 1 calc PR A 2
H12O H 0.4273 -0.2774 0.5404 0.070 Uiso 0.50 1 calc PR A 2
C12F C 0.4348(10) -0.3051(9) 0.6903(10) 0.067(4) Uiso 0.50 1 d PD A 2
H12P H 0.4468 -0.3515 0.6727 0.100 Uiso 0.50 1 calc PR A 2
H12Q H 0.3771 -0.3199 0.6606 0.100 Uiso 0.50 1 calc PR A 2
H12R H 0.4490 -0.2830 0.7459 0.100 Uiso 0.50 1 calc PR A 2
C20A C 0.8686(4) 0.3443(3) 0.9433(3) 0.0367(15) Uani 1 1 d . . .
C20E C 0.9802(4) 0.3139(4) 0.9997(4) 0.0514(19) Uani 1 1 d . . .
H20A H 1.0320 0.3144 1.0070 0.062 Uiso 1 1 calc R . .
C20F C 0.9447(4) 0.3445(4) 0.9558(4) 0.0423(16) Uani 1 1 d . . .
H20B H 0.9731 0.3661 0.9335 0.051 Uiso 1 1 calc R . .
C20M C 0.8776(4) 0.4038(4) 0.8312(3) 0.0366(15) Uani 1 1 d . . .
C20G C 0.8304(4) 0.4861(3) 0.9569(4) 0.0388(15) Uani 1 1 d . . .
C20D C 0.9400(5) 0.2828(4) 1.0330(4) 0.0507(18) Uani 1 1 d . . .
H20C H 0.9645 0.2627 1.0640 0.061 Uiso 1 1 calc R . .
C20L C 0.8738(4) 0.5192(4) 1.0374(4) 0.0416(16) Uani 1 1 d . . .
H20D H 0.8985 0.4914 1.0578 0.050 Uiso 1 1 calc R . .
C20Q C 0.9576(5) 0.4886(5) 0.8010(5) 0.060(2) Uani 1 1 d . . .
H20E H 0.9850 0.5398 0.8110 0.072 Uiso 1 1 calc R . .
C20R C 0.9174(4) 0.4778(4) 0.8443(4) 0.0482(18) Uani 1 1 d . . .
H20F H 0.9175 0.5219 0.8834 0.058 Uiso 1 1 calc R . .
C20C C 0.8648(5) 0.2810(4) 1.0211(4) 0.0526(19) Uani 1 1 d . . .
H20G H 0.8365 0.2585 1.0430 0.063 Uiso 1 1 calc R . .
C20N C 0.8781(4) 0.3412(4) 0.7730(4) 0.0484(18) Uani 1 1 d . . .
H20H H 0.8504 0.2898 0.7621 0.058 Uiso 1 1 calc R . .
C20O C 0.9180(5) 0.3514(5) 0.7299(5) 0.058(2) Uani 1 1 d . . .
H20I H 0.9181 0.3076 0.6906 0.070 Uiso 1 1 calc R . .
C20I C 0.8008(5) 0.6008(4) 0.9804(5) 0.066(2) Uani 1 1 d . . .
H20J H 0.7752 0.6285 0.9608 0.079 Uiso 1 1 calc R . .
C20K C 0.8814(5) 0.5922(4) 1.0878(4) 0.059(2) Uani 1 1 d . . .
H20K H 0.9122 0.6147 1.1425 0.071 Uiso 1 1 calc R . .
C20H C 0.7944(5) 0.5283(4) 0.9297(4) 0.055(2) Uani 1 1 d . . .
H20L H 0.7647 0.5071 0.8751 0.066 Uiso 1 1 calc R . .
C20B C 0.8298(4) 0.3117(4) 0.9776(4) 0.0452(17) Uani 1 1 d . . .
H20M H 0.7779 0.3106 0.9707 0.054 Uiso 1 1 calc R . .
C20J C 0.8449(5) 0.6317(4) 1.0593(5) 0.064(2) Uani 1 1 d . . .
H20N H 0.8499 0.6814 1.0944 0.077 Uiso 1 1 calc R . .
C20P C 0.9571(5) 0.4256(5) 0.7448(5) 0.065(2) Uani 1 1 d . . .
H20O H 0.9843 0.4331 0.7154 0.078 Uiso 1 1 calc R . .
C21B C 0.5431(4) 0.2454(4) 0.6144(4) 0.055(2) Uani 1 1 d . . .
H21A H 0.5226 0.2555 0.5712 0.083 Uiso 1 1 calc R . .
H21B H 0.5011 0.2336 0.6307 0.083 Uiso 1 1 calc R . .
H21C H 0.5579 0.2008 0.5973 0.083 Uiso 1 1 calc R . .
C21A C 0.7071(5) 0.3576(6) 0.6626(5) 0.085(3) Uani 1 1 d . . .
H21D H 0.6830 0.3670 0.6197 0.127 Uiso 1 1 calc R . .
H21E H 0.7232 0.3142 0.6443 0.127 Uiso 1 1 calc R . .
H21F H 0.7547 0.4049 0.7054 0.127 Uiso 1 1 calc R . .
C21C C 0.5985(7) 0.4147(5) 0.7256(5) 0.096(4) Uani 1 1 d . . .
H21G H 0.5783 0.4236 0.6815 0.144 Uiso 1 1 calc R . .
H21H H 0.6440 0.4626 0.7702 0.144 Uiso 1 1 calc R . .
H21I H 0.5552 0.4005 0.7397 0.144 Uiso 1 1 calc R . .
C22A C 0.6099(7) 0.4219(5) 0.9146(7) 0.107(4) Uani 1 1 d . . .
H22A H 0.5740 0.4248 0.9394 0.160 Uiso 1 1 calc R . .
H22B H 0.5964 0.4407 0.8773 0.160 Uiso 1 1 calc R . .
H22C H 0.6661 0.4545 0.9545 0.160 Uiso 1 1 calc R . .
C22B C 0.4915(5) 0.2561(6) 0.7845(5) 0.072(2) Uani 1 1 d . . .
H22D H 0.4545 0.2589 0.8081 0.108 Uiso 1 1 calc R . .
H22E H 0.4849 0.2017 0.7573 0.108 Uiso 1 1 calc R . .
H22F H 0.4793 0.2751 0.7473 0.108 Uiso 1 1 calc R . .
C22C C 0.6139(5) 0.2845(5) 0.9353(4) 0.063(2) Uani 1 1 d . . .
H22G H 0.5760 0.2906 0.9574 0.094 Uiso 1 1 calc R . .
H22H H 0.6694 0.3162 0.9771 0.094 Uiso 1 1 calc R . .
H22I H 0.6053 0.2293 0.9101 0.094 Uiso 1 1 calc R . .
C30A C 0.9070(4) -0.0201(4) 0.7889(4) 0.0352(14) Uani 1 1 d . . .
C30G C 0.9874(4) -0.0539(4) 0.6815(4) 0.0365(15) Uani 1 1 d . . .
C30C C 0.9484(4) 0.0971(5) 0.9106(4) 0.0528(19) Uani 1 1 d . . .
H30A H 0.9648 0.1521 0.9388 0.063 Uiso 1 1 calc R . .
C30M C 0.8246(4) -0.1762(4) 0.6398(4) 0.0404(16) Uani 1 1 d . . .
C30D C 0.9398(5) 0.0526(6) 0.9460(4) 0.061(2) Uani 1 1 d . . .
H30B H 0.9516 0.0772 0.9995 0.073 Uiso 1 1 calc R . .
C30F C 0.8986(4) -0.0627(5) 0.8273(4) 0.0487(18) Uani 1 1 d . . .
H30C H 0.8816 -0.1179 0.7995 0.058 Uiso 1 1 calc R . .
C30L C 0.9942(5) -0.0916(4) 0.6144(4) 0.0508(18) Uani 1 1 d . . .
H30D H 0.9468 -0.1300 0.5677 0.061 Uiso 1 1 calc R . .
C30E C 0.9146(5) -0.0262(6) 0.9049(5) 0.062(2) Uani 1 1 d . . .
H30E H 0.9079 -0.0565 0.9295 0.074 Uiso 1 1 calc R . .
C30H C 1.0582(4) 0.0028(5) 0.7487(5) 0.060(2) Uani 1 1 d . . .
H30F H 1.0558 0.0298 0.7960 0.072 Uiso 1 1 calc R . .
C30B C 0.9326(4) 0.0597(4) 0.8325(4) 0.0407(16) Uani 1 1 d . . .
H30G H 0.9398 0.0904 0.8084 0.049 Uiso 1 1 calc R . .
C30K C 1.0684(6) -0.0750(5) 0.6132(6) 0.068(2) Uani 1 1 d . . .
H30H H 1.0718 -0.1031 0.5666 0.081 Uiso 1 1 calc R . .
C30I C 1.1325(5) 0.0204(7) 0.7471(6) 0.086(3) Uani 1 1 d . . .
H30I H 1.1804 0.0592 0.7931 0.104 Uiso 1 1 calc R . .
C30N C 0.8519(5) -0.2340(4) 0.6125(5) 0.058(2) Uani 1 1 d . . .
H30J H 0.9049 -0.2194 0.6168 0.070 Uiso 1 1 calc R . .
C30R C 0.7472(5) -0.2011(4) 0.6331(5) 0.064(2) Uani 1 1 d . . .
H30K H 0.7267 -0.1634 0.6523 0.077 Uiso 1 1 calc R . .
C30O C 0.8038(6) -0.3121(5) 0.5794(6) 0.082(3) Uani 1 1 d . . .
H30L H 0.8237 -0.3507 0.5612 0.098 Uiso 1 1 calc R . .
C30J C 1.1359(6) -0.0186(6) 0.6789(7) 0.080(3) Uani 1 1 d . . .
H30M H 1.1864 -0.0059 0.6776 0.096 Uiso 1 1 calc R . .
C30Q C 0.6998(6) -0.2788(5) 0.5994(6) 0.086(3) Uani 1 1 d . . .
H30N H 0.6466 -0.2943 0.5946 0.104 Uiso 1 1 calc R . .
C30P C 0.7278(7) -0.3338(5) 0.5730(6) 0.093(3) Uani 1 1 d . . .
H30O H 0.6944 -0.3876 0.5499 0.111 Uiso 1 1 calc R . .
C31A C 0.6797(6) -0.0721(5) 0.4328(5) 0.091(3) Uani 1 1 d . . .
H31A H 0.6487 -0.1096 0.3768 0.137 Uiso 1 1 calc R . .
H31B H 0.7103 -0.0210 0.4408 0.137 Uiso 1 1 calc R . .
H31C H 0.6427 -0.0670 0.4561 0.137 Uiso 1 1 calc R . .
C31C C 0.6866(8) -0.2038(5) 0.4576(6) 0.130(5) Uani 1 1 d . . .
H31D H 0.6571 -0.2391 0.4011 0.195 Uiso 1 1 calc R . .
H31E H 0.6480 -0.1989 0.4790 0.195 Uiso 1 1 calc R . .
H31F H 0.7211 -0.2250 0.4816 0.195 Uiso 1 1 calc R . .
C31B C 0.8168(6) -0.1193(11) 0.4340(6) 0.216(11) Uani 1 1 d . . .
H31G H 0.7848 -0.1572 0.3782 0.324 Uiso 1 1 calc R . .
H31H H 0.8534 -0.1386 0.4586 0.324 Uiso 1 1 calc R . .
H31I H 0.8484 -0.0690 0.4413 0.324 Uiso 1 1 calc R . .
C32C C 0.8567(4) 0.1347(4) 0.5739(4) 0.0495(18) Uani 1 1 d . . .
H32A H 0.8934 0.1821 0.5802 0.074 Uiso 1 1 calc R . .
H32B H 0.8178 0.1468 0.5926 0.074 Uiso 1 1 calc R . .
H32C H 0.8277 0.0944 0.5186 0.074 Uiso 1 1 calc R . .
C32B C 0.9911(4) 0.0774(4) 0.5961(5) 0.055(2) Uani 1 1 d . . .
H32D H 1.0283 0.1258 0.6043 0.083 Uiso 1 1 calc R . .
H32E H 0.9627 0.0386 0.5403 0.083 Uiso 1 1 calc R . .
H32F H 1.0217 0.0570 0.6250 0.083 Uiso 1 1 calc R . .
C32A C 0.9743(4) 0.1782(4) 0.7353(4) 0.0477(18) Uani 1 1 d . . .
H32G H 1.0113 0.2236 0.7389 0.072 Uiso 1 1 calc R . .
H32H H 1.0054 0.1599 0.7667 0.072 Uiso 1 1 calc R . .
H32I H 0.9369 0.1930 0.7549 0.072 Uiso 1 1 calc R . .
O100 O 0.9509(4) 0.2086(5) 1.1735(5) 0.113(3) Uani 1 1 d D . .
C100 C 0.9408(11) 0.2722(7) 1.2235(8) 0.188(9) Uani 1 1 d D . .
H10P H 0.9054 0.2885 1.1923 0.226 Uiso 1 1 calc R . .
H10Q H 0.9938 0.3172 1.2595 0.226 Uiso 1 1 calc R . .
C101 C 0.9056(13) 0.2502(9) 1.2672(10) 0.195(9) Uani 1 1 d D . .
H10R H 0.8524 0.2532 1.2547 0.234 Uiso 1 1 calc R . .
H10S H 0.9411 0.2853 1.3238 0.234 Uiso 1 1 calc R . .
C102 C 0.8965(9) 0.1703(8) 1.2452(8) 0.136(5) Uani 1 1 d D . .
H10T H 0.9201 0.1658 1.2922 0.163 Uiso 1 1 calc R . .
H10U H 0.8387 0.1340 1.2146 0.163 Uiso 1 1 calc R . .
C103 C 0.9392(8) 0.1523(7) 1.1987(7) 0.122(4) Uani 1 1 d D . .
H10V H 0.9920 0.1549 1.2301 0.146 Uiso 1 1 calc R . .
H10W H 0.9072 0.0989 1.1531 0.146 Uiso 1 1 calc R . .
O110 O 1.1680(6) 0.1835(6) 0.9533(6) 0.157(4) Uani 1 1 d D . .
C110 C 1.2473(5) 0.2290(6) 0.9784(7) 0.082(3) Uani 1 1 d D . .
H11S H 1.2546 0.2833 0.9913 0.098 Uiso 1 1 calc R . .
H11T H 1.2643 0.2077 0.9374 0.098 Uiso 1 1 calc R . .
C111 C 1.2933(6) 0.2273(7) 1.0459(7) 0.128(5) Uani 1 1 d D . .
H11U H 1.3017 0.2725 1.0934 0.154 Uiso 1 1 calc R . .
H11V H 1.3468 0.2299 1.0490 0.154 Uiso 1 1 calc R . .
C112 C 1.2485(7) 0.1544(6) 1.0398(6) 0.105(4) Uani 1 1 d D . .
H11W H 1.2411 0.1647 1.0871 0.125 Uiso 1 1 calc R . .
H111 H 1.2772 0.1194 1.0328 0.125 Uiso 1 1 calc R . .
C113 C 1.1706(6) 0.1194(5) 0.9713(6) 0.089(3) Uani 1 1 d D . .
H112 H 1.1256 0.1017 0.9829 0.107 Uiso 1 1 calc R . .
H11 H 1.1672 0.0742 0.9270 0.107 Uiso 1 1 calc R . .
O120 O 0.2955(10) 0.2444(10) 0.8087(10) 0.251(7) Uiso 1 1 d D . .
C120 C 0.2107(10) 0.2329(9) 0.7854(10) 0.169(6) Uiso 1 1 d D C .
H12S H 0.1967 0.2356 0.8280 0.203 Uiso 1 1 calc R . .
H12T H 0.1749 0.1808 0.7386 0.203 Uiso 1 1 calc R . .
C121 C 0.1996(10) 0.2966(10) 0.7680(10) 0.172(6) Uiso 1 1 d D . .
H12U H 0.1587 0.2746 0.7137 0.206 Uiso 1 1 calc R B 1
H12V H 0.1842 0.3310 0.8043 0.206 Uiso 1 1 calc R B 1
C122 C 0.2823(15) 0.3388(19) 0.781(2) 0.184(16) Uiso 0.50 1 d PD C 1
H12W H 0.2941 0.3942 0.7951 0.220 Uiso 0.50 1 calc PR C 1
H121 H 0.2906 0.3129 0.7342 0.220 Uiso 0.50 1 calc PR C 1
C123 C 0.3323(15) 0.3309(14) 0.849(2) 0.25(2) Uiso 0.50 1 d PD C 1
H122 H 0.3908 0.3523 0.8643 0.295 Uiso 0.50 1 calc PR C 1
H12 H 0.3228 0.3549 0.8949 0.295 Uiso 0.50 1 calc PR C 1
C222 C 0.3218(14) 0.3064(12) 0.7891(13) 0.086(6) Uiso 0.50 1 d P C 2
H22J H 0.2990 0.2855 0.7321 0.103 Uiso 0.50 1 calc PR C 2
H22K H 0.3814 0.3331 0.8133 0.103 Uiso 0.50 1 calc PR C 2
C221 C 0.2821(16) 0.3631(16) 0.8288(19) 0.132(10) Uiso 0.50 1 d P C 2
H22L H 0.2946 0.3759 0.8831 0.158 Uiso 0.50 1 calc PR C 2
H22M H 0.2925 0.4108 0.8240 0.158 Uiso 0.50 1 calc PR C 2
O130 O 0.8177(8) 0.4064(7) 1.1649(7) 0.198(5) Uiso 1 1 d D F .
C130 C 0.8550(8) 0.4210(8) 1.2459(7) 0.124(4) Uiso 1 1 d D . .
H13A H 0.9141 0.4517 1.2727 0.148 Uiso 1 1 calc R D 1
H13B H 0.8428 0.3718 1.2480 0.148 Uiso 1 1 calc R D 1
C133 C 0.7811(10) 0.4657(9) 1.1659(8) 0.155(6) Uiso 1 1 d D . .
H13C H 0.7871 0.4848 1.1299 0.186 Uiso 1 1 calc R E 1
H13D H 0.7236 0.4453 1.1546 0.186 Uiso 1 1 calc R E 1
C131 C 0.8105(16) 0.4688(12) 1.2791(12) 0.103(7) Uiso 0.50 1 d PD F 1
H13E H 0.8337 0.4948 1.3366 0.123 Uiso 0.50 1 calc PR F 1
H13F H 0.7515 0.4383 1.2547 0.123 Uiso 0.50 1 calc PR F 1
C132 C 0.8347(16) 0.5258(10) 1.2489(11) 0.127(9) Uiso 0.50 1 d PD F 1
H13G H 0.8194 0.5705 1.2666 0.152 Uiso 0.50 1 calc PR F 1
H13H H 0.8926 0.5446 1.2613 0.152 Uiso 0.50 1 calc PR F 1
C135 C 0.7711(18) 0.4866(18) 1.2356(16) 0.133(9) Uiso 0.50 1 d P F 2
H13I H 0.7227 0.4475 1.2283 0.160 Uiso 0.50 1 calc PR F 2
H13J H 0.7715 0.5396 1.2591 0.160 Uiso 0.50 1 calc PR F 2
C134 C 0.8613(18) 0.4827(16) 1.2858(16) 0.127(9) Uiso 0.50 1 d P F 2
H13K H 0.9085 0.5237 1.2936 0.152 Uiso 0.50 1 calc PR F 2
H13L H 0.8677 0.4896 1.3373 0.152 Uiso 0.50 1 calc PR F 2
O140 O 0.912(2) -0.293(3) 0.397(2) 0.31(2) Uiso 0.50 1 d PD G 1
C140 C 0.9817(12) -0.3111(12) 0.3876(10) 0.079(6) Uiso 0.50 1 d PD G 1
H14A H 0.9598 -0.3643 0.3425 0.095 Uiso 0.50 1 calc PR G 1
H14B H 1.0109 -0.2738 0.3755 0.095 Uiso 0.50 1 calc PR G 1
C143 C 0.9187(11) -0.3216(13) 0.4569(13) 0.075(5) Uiso 0.50 1 d PD G 1
H14C H 0.9020 -0.2913 0.4947 0.090 Uiso 0.50 1 calc PR G 1
H14D H 0.8810 -0.3773 0.4292 0.090 Uiso 0.50 1 calc PR G 1
O240 O 0.886(3) -0.311(3) 0.429(3) 0.279(17) Uiso 0.50 1 d P G 2
C240 C 0.9634(18) -0.2857(17) 0.4174(16) 0.110(8) Uiso 0.50 1 d P G 2
H24A H 0.9853 -0.2281 0.4407 0.133 Uiso 0.50 1 calc PR G 2
H24B H 0.9457 -0.3082 0.3606 0.133 Uiso 0.50 1 calc PR G 2
C243 C 0.9472(15) -0.3211(15) 0.5052(15) 0.103(7) Uiso 0.50 1 d P G 2
H24C H 0.9577 -0.2803 0.5567 0.123 Uiso 0.50 1 calc PR G 2
H24D H 0.9225 -0.3734 0.4987 0.123 Uiso 0.50 1 calc PR G 2
C141 C 1.0351(8) -0.3075(10) 0.4511(9) 0.156(6) Uiso 1 1 d D . .
H14E H 1.0832 -0.2573 0.4808 0.188 Uiso 1 1 calc R G 1
H14F H 1.0528 -0.3507 0.4345 0.188 Uiso 1 1 calc R G 1
C142 C 0.9988(14) -0.3137(17) 0.4984(12) 0.299(15) Uiso 1 1 d D G .
H14G H 1.0278 -0.2662 0.5507 0.359 Uiso 1 1 calc R H 1
H14H H 0.9976 -0.3600 0.5044 0.359 Uiso 1 1 calc R H 1
O150 O 1.1335(13) 0.2702(13) 1.1512(13) 0.329(10) Uiso 1 1 d D . .
C150 C 1.2112(16) 0.2814(13) 1.2120(16) 0.299(14) Uiso 1 1 d D . .
H15A H 1.2053 0.2804 1.2572 0.358 Uiso 1 1 calc R . .
H15B H 1.2319 0.2422 1.1899 0.358 Uiso 1 1 calc R . .
C151 C 1.2617(12) 0.3599(15) 1.2320(16) 0.280(12) Uiso 1 1 d D . .
H15C H 1.3018 0.3913 1.2877 0.335 Uiso 1 1 calc R . .
H15D H 1.2899 0.3579 1.1992 0.335 Uiso 1 1 calc R . .
C152 C 1.2015(17) 0.3890(12) 1.2149(15) 0.268(12) Uiso 1 1 d D . .
H15E H 1.2215 0.4447 1.2542 0.321 Uiso 1 1 calc R . .
H15F H 1.1856 0.3841 1.1627 0.321 Uiso 1 1 calc R . .
C153 C 1.1373(15) 0.3434(17) 1.2172(19) 0.39(2) Uiso 1 1 d D . .
H15G H 1.0887 0.3545 1.2018 0.467 Uiso 1 1 calc R . .
H15H H 1.1511 0.3433 1.2671 0.467 Uiso 1 1 calc R . .
O160 O 0.452(2) 0.4082(19) 1.106(2) 0.447(16) Uiso 1 1 d D . .
C160 C 0.4107(16) 0.3749(19) 1.012(2) 0.38(2) Uiso 1 1 d D . .
H16A H 0.3650 0.3228 0.9820 0.457 Uiso 1 1 calc R . .
H16B H 0.3952 0.4122 0.9975 0.457 Uiso 1 1 calc R . .
C161 C 0.484(2) 0.3724(17) 1.0111(16) 0.320(15) Uiso 1 1 d D . .
H16C H 0.4816 0.3644 0.9605 0.384 Uiso 1 1 calc R . .
H16D H 0.4908 0.3280 1.0172 0.384 Uiso 1 1 calc R . .
C162 C 0.5503(16) 0.444(2) 1.073(2) 0.43(2) Uiso 1 1 d D . .
H16E H 0.6010 0.4359 1.0819 0.518 Uiso 1 1 calc R . .
H16F H 0.5537 0.4845 1.0575 0.518 Uiso 1 1 calc R . .
C163 C 0.543(2) 0.470(2) 1.1423(19) 0.45(3) Uiso 1 1 d D . .
H16G H 0.5478 0.5243 1.1646 0.541 Uiso 1 1 calc R . .
H16H H 0.5814 0.4635 1.1820 0.541 Uiso 1 1 calc R . .
O170 O 0.0791(15) -0.5278(15) 0.4006(16) 0.392(13) Uiso 1 1 d D . .
C170 C 0.1575(17) -0.4724(16) 0.4083(14) 0.287(13) Uiso 1 1 d D . .
H17A H 0.1646 -0.4929 0.3604 0.344 Uiso 1 1 calc R . .
H17B H 0.1618 -0.4181 0.4256 0.344 Uiso 1 1 calc R . .
C171 C 0.2086(13) -0.4806(16) 0.4680(16) 0.292(13) Uiso 1 1 d D . .
H17C H 0.2628 -0.4371 0.4972 0.351 Uiso 1 1 calc R . .
H17D H 0.2144 -0.5305 0.4454 0.351 Uiso 1 1 calc R . .
C172 C 0.1721(17) -0.4794(17) 0.5189(13) 0.285(13) Uiso 1 1 d D . .
H17E H 0.1674 -0.5257 0.5258 0.342 Uiso 1 1 calc R . .
H17F H 0.2065 -0.4319 0.5708 0.342 Uiso 1 1 calc R . .
C173 C 0.0951(18) -0.480(2) 0.487(2) 0.40(2) Uiso 1 1 d D . .
H17G H 0.0966 -0.4269 0.5018 0.478 Uiso 1 1 calc R . .
H17H H 0.0567 -0.5081 0.5003 0.478 Uiso 1 1 calc R . .
O180 O 0.5999(16) -0.4247(16) 0.3440(15) 0.367(12) Uiso 1 1 d D . .
C180 C 0.5522(19) -0.5188(18) 0.295(2) 0.39(2) Uiso 1 1 d D . .
H18A H 0.5370 -0.5434 0.2382 0.466 Uiso 1 1 calc R . .
H18B H 0.5084 -0.5411 0.3057 0.466 Uiso 1 1 calc R . .
C181 C 0.6511(19) -0.5019(17) 0.3567(18) 0.311(15) Uiso 1 1 d D . .
H18C H 0.6709 -0.4616 0.4115 0.373 Uiso 1 1 calc R . .
H18D H 0.6556 -0.5505 0.3541 0.373 Uiso 1 1 calc R . .
C182 C 0.687(2) -0.476(3) 0.319(3) 0.47(3) Uiso 1 1 d D . .
H18E H 0.6607 -0.5152 0.2632 0.564 Uiso 1 1 calc R . .
H18F H 0.7449 -0.4661 0.3418 0.564 Uiso 1 1 calc R . .
C183 C 0.677(2) -0.4008(19) 0.331(2) 0.39(2) Uiso 1 1 d D . .
H18G H 0.6657 -0.3949 0.2844 0.473 Uiso 1 1 calc R . .
H18H H 0.7231 -0.3536 0.3775 0.473 Uiso 1 1 calc R . .
O200 O 0.544(3) -0.448(2) 0.595(2) 0.272(15) Uiso 0.50 1 d P . .
C200 C 0.5421(16) -0.5217(15) 0.5371(17) 0.264(12) Uiso 1 1 d . . .
H20P H 0.5961 -0.5224 0.5571 0.317 Uiso 1 1 calc R . .
H20Q H 0.5032 -0.5670 0.5329 0.317 Uiso 1 1 calc R . .
C201 C 0.5218(14) -0.5303(13) 0.4667(15) 0.207(9) Uiso 1 1 d . . .
H20R H 0.5555 -0.4782 0.4778 0.249 Uiso 1 1 calc R . .
H20S H 0.5471 -0.5650 0.4454 0.249 Uiso 1 1 calc R . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'
Hg Hg -2.3894 9.2266 '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
Ge6 Hg1 Ge6 180.00(2) . 2_656
Ge6 Hg1 Ge5 63.047(17) . .
Ge6 Hg1 Ge5 116.953(17) 2_656 .
Ge6 Hg1 Ge5 116.953(17) . 2_656
Ge6 Hg1 Ge5 63.047(17) 2_656 2_656
Ge5 Hg1 Ge5 180.0 . 2_656
Ge6 Hg1 Ge4 117.624(18) . 2_656
Ge6 Hg1 Ge4 62.376(17) 2_656 2_656
Ge5 Hg1 Ge4 117.661(16) . 2_656
Ge5 Hg1 Ge4 62.339(16) 2_656 2_656
Ge6 Hg1 Ge4 62.376(17) . .
Ge6 Hg1 Ge4 117.624(18) 2_656 .
Ge5 Hg1 Ge4 62.339(16) . .
Ge5 Hg1 Ge4 117.661(16) 2_656 .
Ge4 Hg1 Ge4 180.00(2) 2_656 .
Si1 Ge1 Ge6 119.80(5) . .
Si1 Ge1 Ge5 124.06(5) . .
Ge6 Ge1 Ge5 72.94(2) . .
Si1 Ge1 Ge8 121.59(5) . .
Ge6 Ge1 Ge8 117.73(3) . .
Ge5 Ge1 Ge8 81.68(3) . .
Si1 Ge1 Ge9 117.82(5) . .
Ge6 Ge1 Ge9 81.56(3) . .
Ge5 Ge1 Ge9 117.92(3) . .
Ge8 Ge1 Ge9 62.02(2) . .
Si2 Ge2 Ge5 120.30(5) . .
Si2 Ge2 Ge4 124.57(5) . .
Ge5 Ge2 Ge4 72.47(2) . .
Si2 Ge2 Ge7 120.81(5) . .
Ge5 Ge2 Ge7 117.89(3) . .
Ge4 Ge2 Ge7 82.40(3) . .
Si2 Ge2 Ge8 117.52(5) . .
Ge5 Ge2 Ge8 81.49(3) . .
Ge4 Ge2 Ge8 117.72(3) . .
Ge7 Ge2 Ge8 61.74(2) . .
Si3 Ge3 Ge6 123.42(5) . .
Si3 Ge3 Ge4 121.57(5) . .
Ge6 Ge3 Ge4 72.27(3) . .
Si3 Ge3 Ge9 119.81(5) . .
Ge6 Ge3 Ge9 81.56(3) . .
Ge4 Ge3 Ge9 118.05(3) . .
Si3 Ge3 Ge7 118.44(5) . .
Ge6 Ge3 Ge7 117.73(3) . .
Ge4 Ge3 Ge7 82.25(3) . .
Ge9 Ge3 Ge7 62.13(2) . .
Ge2 Ge4 Ge3 93.78(3) . .
Ge2 Ge4 Hg1 110.27(2) . .
Ge3 Ge4 Hg1 109.99(3) . .
Ge1 Ge5 Ge2 94.38(3) . .
Ge1 Ge5 Hg1 109.26(2) . .
Ge2 Ge5 Hg1 111.12(2) . .
Ge1 Ge6 Ge3 94.41(3) . .
Ge1 Ge6 Hg1 109.81(3) . .
Ge3 Ge6 Hg1 111.39(2) . .
Ge2 Ge7 Ge3 90.59(3) . .
Ge2 Ge7 Ge8 59.32(2) . .
Ge3 Ge7 Ge8 101.30(3) . .
Ge2 Ge7 Ge9 101.56(3) . .
Ge3 Ge7 Ge9 58.88(2) . .
Ge8 Ge7 Ge9 60.10(2) . .
Ge1 Ge8 Ge2 90.75(3) . .
Ge1 Ge8 Ge7 101.55(3) . .
Ge2 Ge8 Ge7 58.94(2) . .
Ge1 Ge8 Ge9 59.07(2) . .
Ge2 Ge8 Ge9 101.33(3) . .
Ge7 Ge8 Ge9 60.15(2) . .
Ge3 Ge9 Ge1 90.75(3) . .
Ge3 Ge9 Ge8 101.13(3) . .
Ge1 Ge9 Ge8 58.91(2) . .
Ge3 Ge9 Ge7 58.99(2) . .
Ge1 Ge9 Ge7 101.15(3) . .
Ge8 Ge9 Ge7 59.75(2) . .
Si10 Si1 Si12 114.20(9) . .
Si10 Si1 Si11 111.77(9) . .
Si12 Si1 Si11 108.30(10) . .
Si10 Si1 Ge1 107.08(7) . .
Si12 Si1 Ge1 107.58(8) . .
Si11 Si1 Ge1 107.62(8) . .
Si22 Si2 Si20 114.49(9) . .
Si22 Si2 Si21 107.65(10) . .
Si20 Si2 Si21 112.78(9) . .
Si22 Si2 Ge2 106.90(8) . .
Si20 Si2 Ge2 107.18(8) . .
Si21 Si2 Ge2 107.47(8) . .
Si32 Si3 Si31 108.53(9) . .
Si32 Si3 Si30 112.57(9) . .
Si31 Si3 Si30 112.15(10) . .
Si32 Si3 Ge3 106.85(8) . .
Si31 Si3 Ge3 107.49(8) . .
Si30 Si3 Ge3 108.99(7) . .
C10A Si10 C10G 108.7(3) . .
C10A Si10 C10M 111.2(3) . .
C10G Si10 C10M 109.6(3) . .
C10A Si10 Si1 109.8(2) . .
C10G Si10 Si1 111.45(19) . .
C10M Si10 Si1 106.2(2) . .
C11E Si11 C11C 121.1(8) . .
C11E Si11 C11D 111.7(8) . .
C11C Si11 C11D 21.3(5) . .
C11E Si11 C11A 73.9(8) . .
C11C Si11 C11A 108.0(7) . .
C11D Si11 C11A 126.0(6) . .
C11E Si11 C11F 107.9(9) . .
C11C Si11 C11F 82.6(8) . .
C11D Si11 C11F 103.7(8) . .
C11A Si11 C11F 35.2(7) . .
C11E Si11 C11B 27.9(6) . .
C11C Si11 C11B 108.7(6) . .
C11D Si11 C11B 92.3(6) . .
C11A Si11 C11B 101.6(6) . .
C11F Si11 C11B 134.1(7) . .
C11E Si11 Si1 118.0(6) . .
C11C Si11 Si1 113.0(5) . .
C11D Si11 Si1 107.6(5) . .
C11A Si11 Si1 116.3(4) . .
C11F Si11 Si1 106.9(6) . .
C11B Si11 Si1 108.6(4) . .
C12C Si12 C12E 119.3(8) . .
C12C Si12 C12F 80.2(8) . .
C12E Si12 C12F 115.0(8) . .
C12C Si12 C12A 109.3(8) . .
C12E Si12 C12A 15.8(7) . .
C12F Si12 C12A 127.8(8) . .
C12C Si12 C12B 109.5(8) . .
C12E Si12 C12B 88.6(7) . .
C12F Si12 C12B 32.2(6) . .
C12A Si12 C12B 103.9(7) . .
C12C Si12 C12D 22.5(6) . .
C12E Si12 C12D 107.0(7) . .
C12F Si12 C12D 102.6(8) . .
C12A Si12 C12D 93.6(7) . .
C12B Si12 C12D 130.6(7) . .
C12C Si12 Si1 118.2(6) . .
C12E Si12 Si1 109.1(5) . .
C12F Si12 Si1 112.4(5) . .
C12A Si12 Si1 107.3(5) . .
C12B Si12 Si1 107.7(5) . .
C12D Si12 Si1 110.5(5) . .
C20A Si20 C20M 108.4(3) . .
C20A Si20 C20G 109.1(3) . .
C20M Si20 C20G 108.4(3) . .
C20A Si20 Si2 112.1(2) . .
C20M Si20 Si2 110.6(2) . .
C20G Si20 Si2 108.2(2) . .
C21A Si21 C21B 108.2(4) . .
C21A Si21 C21C 108.2(5) . .
C21B Si21 C21C 106.1(4) . .
C21A Si21 Si2 113.5(3) . .
C21B Si21 Si2 109.4(2) . .
C21C Si21 Si2 111.1(3) . .
C22B Si22 C22C 107.6(4) . .
C22B Si22 C22A 109.7(5) . .
C22C Si22 C22A 106.1(4) . .
C22B Si22 Si2 107.6(3) . .
C22C Si22 Si2 115.2(3) . .
C22A Si22 Si2 110.4(3) . .
C30A Si30 C30M 107.7(3) . .
C30A Si30 C30G 108.7(3) . .
C30M Si30 C30G 110.8(3) . .
C30A Si30 Si3 112.9(2) . .
C30M Si30 Si3 110.9(2) . .
C30G Si30 Si3 105.9(2) . .
C31B Si31 C31A 110.2(7) . .
C31B Si31 C31C 107.8(8) . .
C31A Si31 C31C 106.0(5) . .
C31B Si31 Si3 110.8(3) . .
C31A Si31 Si3 109.2(3) . .
C31C Si31 Si3 112.8(3) . .
C32A Si32 C32B 107.2(3) . .
C32A Si32 C32C 108.1(3) . .
C32B Si32 C32C 108.7(3) . .
C32A Si32 Si3 113.3(2) . .
C32B Si32 Si3 111.8(2) . .
C32C Si32 Si3 107.5(2) . .
C10O C10N C10M 120.2(7) . .
C10L C10G C10H 117.7(6) . .
C10L C10G Si10 121.8(5) . .
C10H C10G Si10 120.5(5) . .
C10K C10J C10I 120.6(7) . .
C10G C10L C10K 121.9(7) . .
C10F C10A C10B 116.6(6) . .
C10F C10A Si10 123.2(5) . .
C10B C10A Si10 120.2(5) . .
C10J C10K C10L 119.4(7) . .
C10R C10M C10N 117.1(6) . .
C10R C10M Si10 120.6(5) . .
C10N C10M Si10 122.3(5) . .
C10J C10I C10H 118.5(7) . .
C10E C10F C10A 121.8(7) . .
C10G C10H C10I 121.8(7) . .
C10C C10B C10A 122.0(6) . .
C10P C10O C10N 121.0(8) . .
C10D C10E C10F 120.3(7) . .
C10E C10D C10C 120.2(7) . .
C10D C10C C10B 119.2(7) . .
C10O C10P C10Q 120.0(7) . .
C10R C10Q C10P 119.4(8) . .
C10Q C10R C10M 122.3(8) . .
C20F C20A C20B 116.4(6) . .
C20F C20A Si20 122.5(5) . .
C20B C20A Si20 121.0(5) . .
C20D C20E C20F 119.8(7) . .
C20E C20F C20A 121.8(6) . .
C20N C20M C20R 117.3(6) . .
C20N C20M Si20 121.0(5) . .
C20R C20M Si20 121.6(5) . .
C20H C20G C20L 117.6(6) . .
C20H C20G Si20 120.7(5) . .
C20L C20G Si20 121.7(5) . .
C20C C20D C20E 119.9(7) . .
C20K C20L C20G 120.6(7) . .
C20P C20Q C20R 119.6(7) . .
C20M C20R C20Q 121.1(7) . .
C20D C20C C20B 120.2(7) . .
C20M C20N C20O 121.9(6) . .
C20P C20O C20N 119.1(7) . .
C20J C20I C20H 118.9(8) . .
C20J C20K C20L 120.2(7) . .
C20I C20H C20G 121.6(7) . .
C20C C20B C20A 121.9(7) . .
C20K C20J C20I 121.0(7) . .
C20Q C20P C20O 120.9(7) . .
C30B C30A C30F 116.5(6) . .
C30B C30A Si30 122.2(5) . .
C30F C30A Si30 121.3(5) . .
C30L C30G C30H 117.4(6) . .
C30L C30G Si30 123.3(5) . .
C30H C30G Si30 119.1(5) . .
C30D C30C C30B 118.6(7) . .
C30R C30M C30N 116.6(6) . .
C30R C30M Si30 120.4(5) . .
C30N C30M Si30 123.0(5) . .
C30E C30D C30C 120.5(7) . .
C30E C30F C30A 121.4(7) . .
C30G C30L C30K 121.8(8) . .
C30D C30E C30F 120.3(7) . .
C30I C30H C30G 120.8(8) . .
C30A C30B C30C 122.6(7) . .
C30J C30K C30L 119.5(8) . .
C30J C30I C30H 119.5(9) . .
C30O C30N C30M 121.5(8) . .
C30Q C30R C30M 121.3(8) . .
C30P C30O C30N 119.8(8) . .
C30K C30J C30I 121.0(8) . .
C30P C30Q C30R 120.7(8) . .
C30Q C30P C30O 120.1(8) . .
C100 O100 C103 106.2(9) . .
O100 C100 C101 110.0(9) . .
C100 C101 C102 106.5(8) . .
C103 C102 C101 106.2(8) . .
O100 C103 C102 107.6(8) . .
C110 O110 C113 105.1(8) . .
O110 C110 C111 106.2(8) . .
C110 C111 C112 107.7(7) . .
C111 C112 C113 105.0(7) . .
C112 C113 O110 104.5(7) . .
C120 O120 C123 98.1(16) . .
C120 O120 C222 98.8(16) . .
C123 O120 C222 42.5(18) . .
O120 C120 C121 108.1(13) . .
C122 C121 C120 100.9(12) . .
C122 C121 C221 36.1(16) . .
C120 C121 C221 99.0(17) . .
C121 C122 C123 99.3(14) . .
O120 C123 C122 97(2) . .
O120 C222 C221 98.7(17) . .
C121 C221 C222 87.2(18) . .
C130 O130 C133 107.4(11) . .
C134 C130 O130 106.4(18) . .
C134 C130 C131 35.0(16) . .
O130 C130 C131 98.4(11) . .
C135 C133 C132 46.8(14) . .
C135 C133 O130 101.7(15) . .
C132 C133 O130 96.6(12) . .
C130 C131 C132 91.8(12) . .
C133 C132 C131 93.5(13) . .
C133 C135 C134 93(2) . .
C130 C134 C135 104(2) . .
C140 O140 C143 91.1(17) . .
C141 C140 O140 114.3(18) . .
C142 C143 O140 112.8(17) . .
C240 O240 C243 87(3) . .
O240 C240 C141 119(2) . .
O240 C240 C142 77(2) . .
C141 C240 C142 45.0(9) . .
C142 C243 O240 101(2) . .
C140 C141 C142 109.7(11) . .
C140 C141 C240 33.3(12) . .
C142 C141 C240 82.1(13) . .
C243 C142 C141 146(2) . .
C243 C142 C143 42.9(15) . .
C141 C142 C143 103.3(11) . .
C243 C142 C240 95(2) . .
C141 C142 C240 53.0(11) . .
C143 C142 C240 53.5(12) . .
C150 O150 C153 86.4(18) . .
C151 C150 O150 98.4(16) . .
C152 C151 C150 100.0(12) . .
C153 C152 C151 105.1(13) . .
C152 C153 O150 88.9(18) . .
C163 O160 C160 108(2) . .
C161 C160 O160 90(2) . .
C160 C161 C162 110.1(16) . .
C163 C162 C161 111.6(17) . .
C162 C163 O160 97.1(19) . .
C170 O170 C173 97(2) . .
C171 C170 O170 92.9(17) . .
C170 C171 C172 107.4(13) . .
C173 C172 C171 110.1(14) . .
C172 C173 O170 94.1(18) . .
C183 O180 C180 109(2) . .
O180 C180 C181 75.7(18) . .
C182 C181 C180 95(2) . .
C181 C182 C183 106(3) . .
C182 C183 O180 93(2) . .
C201 O200 C200 79(2) 2_646 .
C201 C200 O200 114(3) . .
O200 C201 C200 138(3) 2_646 .
O200 C201 C200 56(2) 2_646 2_646
C200 C201 C200 101(2) . 2_646
O200 C201 C201 89(2) 2_646 2_646
C200 C201 C201 61.1(17) . 2_646
C200 C201 C201 40.1(11) 2_646 2_646
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Hg1 Ge6 2.8294(6) .
Hg1 Ge6 2.8294(6) 2_656
Hg1 Ge5 2.8411(6) .
Hg1 Ge5 2.8411(6) 2_656
Hg1 Ge4 2.8661(6) 2_656
Hg1 Ge4 2.8661(6) .
Ge1 Si1 2.3882(16) .
Ge1 Ge6 2.4907(8) .
Ge1 Ge5 2.4970(9) .
Ge1 Ge8 2.5700(8) .
Ge1 Ge9 2.5744(9) .
Ge2 Si2 2.3918(17) .
Ge2 Ge5 2.4979(8) .
Ge2 Ge4 2.4995(8) .
Ge2 Ge7 2.5686(9) .
Ge2 Ge8 2.5787(9) .
Ge3 Si3 2.3849(16) .
Ge3 Ge6 2.4971(8) .
Ge3 Ge4 2.5044(9) .
Ge3 Ge9 2.5682(8) .
Ge3 Ge7 2.5712(8) .
Ge7 Ge8 2.6411(8) .
Ge7 Ge9 2.6519(9) .
Ge8 Ge9 2.6504(9) .
Si1 Si10 2.356(2) .
Si1 Si12 2.357(3) .
Si1 Si11 2.359(2) .
Si2 Si22 2.360(2) .
Si2 Si20 2.363(2) .
Si2 Si21 2.365(3) .
Si3 Si32 2.361(2) .
Si3 Si31 2.361(2) .
Si3 Si30 2.363(2) .
Si10 C10A 1.868(7) .
Si10 C10G 1.885(6) .
Si10 C10M 1.888(6) .
Si11 C11E 1.795(12) .
Si11 C11C 1.849(11) .
Si11 C11D 1.853(10) .
Si11 C11A 1.872(10) .
Si11 C11F 1.918(12) .
Si11 C11B 1.934(10) .
Si12 C12C 1.817(12) .
Si12 C12E 1.834(11) .
Si12 C12F 1.864(11) .
Si12 C12A 1.891(11) .
Si12 C12B 1.916(11) .
Si12 C12D 1.938(11) .
Si20 C20A 1.875(7) .
Si20 C20M 1.876(6) .
Si20 C20G 1.883(7) .
Si21 C21A 1.831(8) .
Si21 C21B 1.849(7) .
Si21 C21C 1.881(8) .
Si22 C22B 1.853(8) .
Si22 C22C 1.867(8) .
Si22 C22A 1.877(8) .
Si30 C30A 1.872(6) .
Si30 C30M 1.875(7) .
Si30 C30G 1.885(6) .
Si31 C31B 1.819(10) .
Si31 C31A 1.826(9) .
Si31 C31C 1.845(11) .
Si32 C32A 1.867(7) .
Si32 C32B 1.868(6) .
Si32 C32C 1.872(7) .
C10N C10O 1.378(9) .
C10N C10M 1.394(9) .
C10G C10L 1.380(9) .
C10G C10H 1.385(9) .
C10J C10K 1.372(10) .
C10J C10I 1.392(10) .
C10L C10K 1.385(9) .
C10A C10F 1.389(8) .
C10A C10B 1.392(9) .
C10M C10R 1.388(9) .
C10I C10H 1.393(9) .
C10F C10E 1.385(10) .
C10B C10C 1.391(10) .
C10O C10P 1.358(11) .
C10E C10D 1.357(11) .
C10D C10C 1.382(10) .
C10P C10Q 1.369(13) .
C10Q C10R 1.364(11) .
C20A C20F 1.393(9) .
C20A C20B 1.402(9) .
C20E C20D 1.382(10) .
C20E C20F 1.388(10) .
C20M C20N 1.383(9) .
C20M C20R 1.385(9) .
C20G C20H 1.389(10) .
C20G C20L 1.395(9) .
C20D C20C 1.368(11) .
C20L C20K 1.387(10) .
C20Q C20P 1.357(11) .
C20Q C20R 1.400(10) .
C20C C20B 1.380(10) .
C20N C20O 1.388(9) .
C20O C20P 1.372(11) .
C20I C20J 1.375(11) .
C20I C20H 1.389(10) .
C20K C20J 1.360(12) .
C30A C30B 1.378(9) .
C30A C30F 1.399(9) .
C30G C30L 1.377(9) .
C30G C30H 1.394(10) .
C30C C30D 1.379(11) .
C30C C30B 1.396(9) .
C30M C30R 1.388(9) .
C30M C30N 1.389(9) .
C30D C30E 1.357(11) .
C30F C30E 1.386(10) .
C30L C30K 1.388(10) .
C30H C30I 1.393(10) .
C30K C30J 1.354(12) .
C30I C30J 1.366(13) .
C30N C30O 1.379(11) .
C30R C30Q 1.367(10) .
C30O C30P 1.360(13) .
C30Q C30P 1.353(13) .
O100 C100 1.414(12) .
O100 C103 1.428(10) .
C100 C101 1.427(12) .
C101 C102 1.451(11) .
C102 C103 1.451(11) .
O110 C110 1.374(10) .
O110 C113 1.490(10) .
C110 C111 1.423(11) .
C111 C112 1.455(11) .
C112 C113 1.463(10) .
O120 C120 1.468(13) .
O120 C123 1.479(16) .
O120 C222 1.49(2) .
C120 C121 1.512(14) .
C121 C122 1.491(16) .
C121 C221 1.53(3) .
C122 C123 1.537(17) .
C222 C221 1.63(3) .
O130 C130 1.484(12) .
O130 C133 1.525(13) .
C130 C134 1.16(3) .
C130 C131 1.543(16) .
C133 C135 1.44(3) .
C133 C132 1.483(17) .
C131 C132 1.561(17) .
C135 C134 1.75(4) .
O140 C140 1.510(18) .
O140 C143 1.556(18) .
C140 C141 1.355(14) .
C143 C142 1.435(16) .
O240 C240 1.56(5) .
O240 C243 1.76(5) .
C240 C141 1.58(3) .
C240 C142 1.96(3) .
C243 C142 1.02(3) .
C141 C142 1.397(15) .
O150 C150 1.514(16) .
O150 C153 1.554(17) .
C150 C151 1.465(16) .
C151 C152 1.422(16) .
C152 C153 1.378(16) .
O160 C163 1.59(2) .
O160 C160 1.63(2) .
C160 C161 1.415(18) .
C161 C162 1.426(19) .
C162 C163 1.407(19) .
O170 C170 1.564(19) .
O170 C173 1.572(19) .
C170 C171 1.413(17) .
C171 C172 1.439(17) .
C172 C173 1.403(18) .
O180 C183 1.578(19) .
O180 C180 1.615(19) .
C180 C181 1.78(4) .
C181 C182 1.35(4) .
C182 C183 1.52(5) .
O200 C201 1.31(4) 2_646
O200 C200 1.51(4) .
C200 C201 1.32(2) .
C201 O200 1.31(4) 2_646
C201 C200 1.79(3) 2_646
C201 C201 2.01(4) 2_646
