# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_FSG-1131
_database_code_depnum_ccdc_archive 'CCDC 1993875'
loop_
_audit_author_name
_audit_author_address
'Felix Geitner'
;Technische Universitaet Muenchen
Germany
;
_audit_update_record             
;
2020-03-31 deposited with the CCDC.	2021-04-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C42 H88 B Ge9 K N2 O Si8, 1.5(C7 H8)'
_chemical_formula_sum            'C52.50 H100 B Ge9 K N2 O Si8'
_chemical_formula_weight         1703.28

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'
B B 0.0013 0.0007 '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'
K K 0.2009 0.2494 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.7094(7)
_cell_length_b                   16.9327(6)
_cell_length_c                   18.7377(9)
_cell_angle_alpha                65.966(3)
_cell_angle_beta                 67.528(4)
_cell_angle_gamma                88.951(3)
_cell_volume                     3886.2(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    187049
_cell_measurement_theta_min      2.62
_cell_measurement_theta_max      34.02

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.456
_exptl_crystal_F_000             1722
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    3.638
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.502
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   'STOE X-AREA 1.76'

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Genix 3D HF Mo'
_diffrn_measurement_device_type  'STOE StadiVari'
_diffrn_measurement_method       'ω scans'
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_reflns_number            74106
_diffrn_reflns_av_unetI/netI     0.0482
_diffrn_reflns_av_R_equivalents  0.0695
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.670
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             15237
_reflns_number_gt                10831
_reflns_threshold_expression     'I > 2σ(I)'

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
;

_computing_data_collection       'STOE X-AREA 1.76'
_computing_cell_refinement       'STOE X-AREA 1.76'
_computing_data_reduction        'STOE X-AREA 1.76'
_computing_structure_solution    SHELXS-97
_computing_structure_refinement  SHELXL-2014/7
_computing_molecular_graphics    'DIAMOND 3.2k'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0265P)²+18.8354P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15237
_refine_ls_number_parameters     682
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0836
_refine_ls_R_factor_gt           0.0435
_refine_ls_wR_factor_ref         0.1113
_refine_ls_wR_factor_gt          0.0880
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_restrained_S_all      1.115
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
K K 0.39100(10) 0.30021(8) 0.48787(10) 0.0381(3) Uani 1 1 d . . . . .
Ge1 Ge 0.17347(4) 0.49657(3) 0.52076(4) 0.02236(13) Uani 1 1 d . . . . .
Ge2 Ge 0.34820(4) 0.51254(4) 0.41597(4) 0.02612(14) Uani 1 1 d . . . . .
Ge3 Ge 0.32916(4) 0.67064(4) 0.39036(4) 0.02434(13) Uani 1 1 d . . . . .
Ge4 Ge 0.14744(4) 0.65577(4) 0.48858(4) 0.02507(13) Uani 1 1 d . . . . .
Ge5 Ge 0.18351(4) 0.55306(3) 0.62413(4) 0.02092(12) Uani 1 1 d . . . . .
Ge6 Ge 0.31893(4) 0.44738(3) 0.58204(4) 0.02465(13) Uani 1 1 d . . . . .
Ge7 Ge 0.44627(4) 0.59715(4) 0.46515(4) 0.02588(13) Uani 1 1 d . . . . .
Ge8 Ge 0.30021(4) 0.70350(4) 0.52015(4) 0.02625(14) Uani 1 1 d . . . . .
Ge9 Ge 0.35514(4) 0.56854(4) 0.62422(4) 0.02787(14) Uani 1 1 d . . . . .
C1 C 0.0655(4) 0.3943(3) 0.5757(4) 0.0283(12) Uani 1 1 d . . . . .
H1A H 0.0289 0.3818 0.6368 0.034 Uiso 1 1 calc R U . . .
H1B H 0.0179 0.4112 0.5485 0.034 Uiso 1 1 calc R U . . .
C2 C 0.0990(4) 0.3095(3) 0.5711(4) 0.0288(13) Uani 1 1 d . . . . .
H2A H 0.0456 0.2767 0.5692 0.035 Uiso 1 1 calc R U . . .
H2B H 0.1589 0.3250 0.5171 0.035 Uiso 1 1 calc R U . . .
C3 C 0.1229(4) 0.2503(3) 0.6452(4) 0.0303(13) Uani 1 1 d . . . . .
H3A H 0.0687 0.2449 0.6992 0.036 Uiso 1 1 calc R U . . .
H3B H 0.1851 0.2781 0.6400 0.036 Uiso 1 1 calc R U . . .
C4 C 0.1356(4) 0.1590(3) 0.6508(4) 0.0299(13) Uani 1 1 d . . . . .
H4A H 0.1416 0.1218 0.7049 0.036 Uiso 1 1 calc R U . . .
H4B H 0.0761 0.1322 0.6511 0.036 Uiso 1 1 calc R U . . .
O O 0.2239(3) 0.1626(2) 0.5787(2) 0.0294(9) Uani 1 1 d . . . . .
B B 0.2342(5) 0.0930(4) 0.5572(5) 0.0285(14) Uani 1 1 d . . . . .
N1 N 0.3138(3) 0.0995(3) 0.4810(3) 0.0301(11) Uani 1 1 d . . . . .
C5 C 0.3013(5) 0.0212(4) 0.4676(5) 0.0441(17) Uani 1 1 d . . . . .
H5A H 0.3647 -0.0019 0.4525 0.053 Uiso 1 1 calc R U . . .
H5B H 0.2778 0.0347 0.4215 0.053 Uiso 1 1 calc R U . . .
C6 C 0.2221(5) -0.0447(4) 0.5546(5) 0.0468(18) Uani 1 1 d . . . . .
H6A H 0.1721 -0.0744 0.5465 0.056 Uiso 1 1 calc R U . . .
H6B H 0.2535 -0.0895 0.5868 0.056 Uiso 1 1 calc R U . . .
N2 N 0.1749(4) 0.0086(3) 0.6010(3) 0.0339(12) Uani 1 1 d . . . . .
C7 C 0.3704(4) 0.1796(3) 0.4079(4) 0.0287(13) Uani 1 1 d . . . . .
C8 C 0.4743(4) 0.1956(4) 0.3788(4) 0.0282(12) Uani 1 1 d . . . . .
C9 C 0.5277(5) 0.2768(4) 0.3127(4) 0.0369(14) Uani 1 1 d . . . . .
H9 H 0.6021 0.2875 0.2904 0.044 Uiso 1 1 calc R U . . .
C10 C 0.4791(5) 0.3417(4) 0.2737(4) 0.0398(16) Uani 1 1 d . . . . .
C11 C 0.3768(5) 0.3231(4) 0.3017(4) 0.0410(16) Uani 1 1 d . . . . .
H11 H 0.3432 0.3666 0.2757 0.049 Uiso 1 1 calc R U . . .
C12 C 0.3224(5) 0.2431(4) 0.3661(4) 0.0342(14) Uani 1 1 d . . . . .
C13 C 0.5299(5) 0.1277(4) 0.4200(5) 0.0433(16) Uani 1 1 d . . . . .
H13A H 0.5549 0.0936 0.3871 0.065 Uiso 1 1 calc R U . . .
H13B H 0.4845 0.0885 0.4789 0.065 Uiso 1 1 calc R U . . .
H13C H 0.5860 0.1574 0.4207 0.065 Uiso 1 1 calc R U . . .
C14 C 0.5377(6) 0.4297(5) 0.2038(5) 0.062(2) Uani 1 1 d . . . . .
H14A H 0.6050 0.4225 0.1714 0.093 Uiso 1 1 calc R U . . .
H14B H 0.5419 0.4691 0.2293 0.093 Uiso 1 1 calc R U . . .
H14C H 0.5042 0.4548 0.1652 0.093 Uiso 1 1 calc R U . . .
C15 C 0.2107(5) 0.2239(4) 0.3908(5) 0.0457(17) Uani 1 1 d . . . . .
H15A H 0.1732 0.2341 0.4412 0.069 Uiso 1 1 calc R U . . .
H15B H 0.1923 0.1626 0.4039 0.069 Uiso 1 1 calc R U . . .
H15C H 0.1949 0.2625 0.3429 0.069 Uiso 1 1 calc R U . . .
C16 C 0.0949(4) -0.0345(3) 0.6846(4) 0.0314(13) Uani 1 1 d . . . . .
C17 C 0.1146(5) -0.0671(4) 0.7577(4) 0.0361(15) Uani 1 1 d . . . . .
C18 C 0.0348(5) -0.1067(4) 0.8385(4) 0.0393(15) Uani 1 1 d . . . . .
H18 H 0.0477 -0.1280 0.8886 0.047 Uiso 1 1 calc R U . . .
C19 C -0.0626(5) -0.1152(4) 0.8467(4) 0.0391(15) Uani 1 1 d . . . . .
C20 C -0.0801(4) -0.0857(4) 0.7742(4) 0.0357(14) Uani 1 1 d . . . . .
H20 H -0.1466 -0.0931 0.7797 0.043 Uiso 1 1 calc R U . . .
C21 C -0.0024(5) -0.0445(4) 0.6917(4) 0.0328(13) Uani 1 1 d . . . . .
C22 C 0.2216(5) -0.0573(5) 0.7501(5) 0.055(2) Uani 1 1 d . . . . .
H22A H 0.2644 -0.0779 0.7087 0.082 Uiso 1 1 calc R U . . .
H22B H 0.2228 -0.0922 0.8062 0.082 Uiso 1 1 calc R U . . .
H22C H 0.2461 0.0045 0.7307 0.082 Uiso 1 1 calc R U . . .
C23 C -0.1470(6) -0.1588(5) 0.9345(5) 0.062(2) Uani 1 1 d . . . . .
H23A H -0.1669 -0.2198 0.9477 0.093 Uiso 1 1 calc R U . . .
H23B H -0.2039 -0.1276 0.9356 0.093 Uiso 1 1 calc R U . . .
H23C H -0.1250 -0.1575 0.9773 0.093 Uiso 1 1 calc R U . . .
C24 C -0.0246(6) -0.0099(5) 0.6125(5) 0.0513(18) Uani 1 1 d . . . . .
H24A H -0.0125 0.0543 0.5860 0.077 Uiso 1 1 calc R U . . .
H24B H -0.0945 -0.0309 0.6289 0.077 Uiso 1 1 calc R U . . .
H24C H 0.0188 -0.0308 0.5716 0.077 Uiso 1 1 calc R U . . .
Si1 Si 0.42504(11) 0.79312(9) 0.25664(10) 0.0250(3) Uani 1 1 d . . . . .
Si2 Si 0.30963(15) 0.88535(13) 0.23012(16) 0.0589(6) Uani 1 1 d . . . . .
C25 C 0.2818(9) 0.9388(8) 0.3084(10) 0.135(6) Uani 1 1 d . . . . .
H25A H 0.3420 0.9772 0.2929 0.202 Uiso 1 1 calc R U . . .
H25B H 0.2612 0.8930 0.3670 0.202 Uiso 1 1 calc R U . . .
H25C H 0.2282 0.9734 0.3049 0.202 Uiso 1 1 calc R U . . .
C26 C 0.1868(6) 0.8277(5) 0.2583(6) 0.067(2) Uani 1 1 d . . . . .
H26A H 0.1912 0.8099 0.2136 0.100 Uiso 1 1 calc R U . . .
H26B H 0.1373 0.8670 0.2630 0.100 Uiso 1 1 calc R U . . .
H26C H 0.1666 0.7757 0.3132 0.100 Uiso 1 1 calc R U . . .
C27 C 0.3568(9) 0.9760(8) 0.1257(8) 0.146(6) Uani 1 1 d . U . . .
H27A H 0.4240 1.0019 0.1115 0.218 Uiso 1 1 calc R U . . .
H27B H 0.3128 1.0201 0.1253 0.218 Uiso 1 1 calc R U . . .
H27C H 0.3594 0.9553 0.0832 0.218 Uiso 1 1 calc R U . . .
Si3 Si 0.55385(13) 0.87267(11) 0.25757(12) 0.0368(4) Uani 1 1 d . . . . .
C28 C 0.6603(6) 0.8117(5) 0.2615(6) 0.068(3) Uani 1 1 d . . . . .
H28A H 0.6958 0.8088 0.2067 0.102 Uiso 1 1 calc R U . . .
H28B H 0.6349 0.7522 0.3077 0.102 Uiso 1 1 calc R U . . .
H28C H 0.7061 0.8421 0.2722 0.102 Uiso 1 1 calc R U . . .
C29 C 0.5103(8) 0.8981(8) 0.3527(7) 0.131(6) Uani 1 1 d . . . . .
H29A H 0.5682 0.9172 0.3590 0.196 Uiso 1 1 calc R U . . .
H29B H 0.4702 0.8455 0.4045 0.196 Uiso 1 1 calc R U . . .
H29C H 0.4698 0.9449 0.3445 0.196 Uiso 1 1 calc R U . . .
C30 C 0.6047(6) 0.9771(5) 0.1577(6) 0.075(3) Uani 1 1 d . . . . .
H30A H 0.6626 1.0072 0.1556 0.112 Uiso 1 1 calc R U . . .
H30B H 0.5533 1.0147 0.1571 0.112 Uiso 1 1 calc R U . . .
H30C H 0.6251 0.9643 0.1078 0.112 Uiso 1 1 calc R U . . .
Si4 Si 0.49581(14) 0.73254(13) 0.15899(12) 0.0424(5) Uani 1 1 d . . . . .
C31 C 0.3984(6) 0.6593(6) 0.1643(6) 0.073(3) Uani 1 1 d . . . . .
H31A H 0.3528 0.6943 0.1428 0.110 Uiso 1 1 calc R U . . .
H31B H 0.3610 0.6163 0.2238 0.110 Uiso 1 1 calc R U . . .
H31C H 0.4301 0.6286 0.1289 0.110 Uiso 1 1 calc R U . . .
C32 C 0.5896(6) 0.6644(6) 0.1854(7) 0.086(3) Uani 1 1 d . . . . .
H32A H 0.6140 0.6357 0.1471 0.129 Uiso 1 1 calc R U . . .
H32B H 0.5585 0.6197 0.2449 0.129 Uiso 1 1 calc R U . . .
H32C H 0.6455 0.7018 0.1780 0.129 Uiso 1 1 calc R U . . .
C33 C 0.5613(8) 0.8200(7) 0.0482(5) 0.100(4) Uani 1 1 d . . . . .
H33A H 0.6029 0.8644 0.0484 0.150 Uiso 1 1 calc R U . . .
H33B H 0.5121 0.8473 0.0266 0.150 Uiso 1 1 calc R U . . .
H33C H 0.6035 0.7944 0.0111 0.150 Uiso 1 1 calc R U . . .
Si5 Si 0.04459(11) 0.52541(9) 0.75608(9) 0.0212(3) Uani 1 1 d . . . . .
Si6 Si 0.04242(12) 0.65914(10) 0.76580(11) 0.0277(3) Uani 1 1 d . . . . .
C34 C 0.0089(6) 0.7407(4) 0.6808(5) 0.0457(17) Uani 1 1 d . . . . .
H34A H 0.0607 0.7520 0.6243 0.068 Uiso 1 1 calc R U . . .
H34B H 0.0035 0.7954 0.6872 0.068 Uiso 1 1 calc R U . . .
H34C H -0.0551 0.7176 0.6861 0.068 Uiso 1 1 calc R U . . .
C35 C 0.1659(5) 0.7033(4) 0.7545(4) 0.0404(16) Uani 1 1 d . . . . .
H35A H 0.2184 0.7085 0.7005 0.061 Uiso 1 1 calc R U . . .
H35B H 0.1806 0.6633 0.8025 0.061 Uiso 1 1 calc R U . . .
H35C H 0.1633 0.7611 0.7546 0.061 Uiso 1 1 calc R U . . .
C36 C -0.0538(5) 0.6428(5) 0.8732(4) 0.0473(18) Uani 1 1 d . . . . .
H36A H -0.0515 0.6974 0.8793 0.071 Uiso 1 1 calc R U . . .
H36B H -0.0401 0.5962 0.9184 0.071 Uiso 1 1 calc R U . . .
H36C H -0.1201 0.6262 0.8780 0.071 Uiso 1 1 calc R U . . .
Si7 Si 0.07693(12) 0.41385(10) 0.86539(10) 0.0297(4) Uani 1 1 d . . . . .
C37 C 0.1761(5) 0.4569(4) 0.8865(4) 0.0450(16) Uani 1 1 d . . . . .
H37A H 0.2372 0.4822 0.8337 0.068 Uiso 1 1 calc R U . . .
H37B H 0.1896 0.4088 0.9308 0.068 Uiso 1 1 calc R U . . .
H37C H 0.1531 0.5021 0.9061 0.068 Uiso 1 1 calc R U . . .
C38 C 0.1214(6) 0.3240(4) 0.8330(5) 0.0507(19) Uani 1 1 d . . . . .
H38A H 0.0690 0.2979 0.8252 0.076 Uiso 1 1 calc R U . . .
H38B H 0.1372 0.2789 0.8777 0.076 Uiso 1 1 calc R U . . .
H38C H 0.1813 0.3483 0.7790 0.076 Uiso 1 1 calc R U . . .
C39 C -0.0419(5) 0.3672(5) 0.9669(4) 0.0472(17) Uani 1 1 d . . . . .
H39A H -0.0655 0.4138 0.9842 0.071 Uiso 1 1 calc R U . . .
H39B H -0.0287 0.3208 1.0126 0.071 Uiso 1 1 calc R U . . .
H39C H -0.0929 0.3428 0.9566 0.071 Uiso 1 1 calc R U . . .
Si8 Si -0.10931(11) 0.47828(10) 0.76222(11) 0.0280(3) Uani 1 1 d . . . . .
C40 C -0.1288(5) 0.3565(4) 0.7992(5) 0.0428(16) Uani 1 1 d . . . . .
H40A H -0.1734 0.3409 0.7775 0.064 Uiso 1 1 calc R U . . .
H40B H -0.1587 0.3270 0.8619 0.064 Uiso 1 1 calc R U . . .
H40C H -0.0645 0.3378 0.7774 0.064 Uiso 1 1 calc R U . . .
C41 C -0.1183(5) 0.5331(4) 0.6562(4) 0.0428(16) Uani 1 1 d . . . . .
H41A H -0.0989 0.5966 0.6325 0.064 Uiso 1 1 calc R U . . .
H41B H -0.1871 0.5200 0.6642 0.064 Uiso 1 1 calc R U . . .
H41C H -0.0737 0.5112 0.6167 0.064 Uiso 1 1 calc R U . . .
C42 C -0.2144(5) 0.5045(5) 0.8413(5) 0.0460(17) Uani 1 1 d . . . . .
H42A H -0.2150 0.5678 0.8171 0.069 Uiso 1 1 calc R U . . .
H42B H -0.2051 0.4860 0.8945 0.069 Uiso 1 1 calc R U . . .
H42C H -0.2780 0.4734 0.8534 0.069 Uiso 1 1 calc R U . . .
C43 C 0.5254(9) 0.2714(10) 0.1054(9) 0.096(4) Uani 1 1 d . . . . .
C44 C 0.4567(10) 0.2035(8) 0.1680(7) 0.092(3) Uani 1 1 d . . . . .
H44 H 0.4761 0.1538 0.2029 0.110 Uiso 1 1 calc R U . . .
C45 C 0.3577(9) 0.2039(8) 0.1829(8) 0.096(4) Uani 1 1 d . . . . .
H45 H 0.3104 0.1531 0.2262 0.115 Uiso 1 1 calc R U . . .
C46 C 0.3257(10) 0.2743(10) 0.1380(9) 0.101(4) Uani 1 1 d . . . . .
H46 H 0.2566 0.2739 0.1509 0.121 Uiso 1 1 calc R U . . .
C47 C 0.3946(14) 0.3471(10) 0.0728(9) 0.116(5) Uani 1 1 d . . . . .
H47 H 0.3732 0.3966 0.0397 0.139 Uiso 1 1 calc R U . . .
C48 C 0.4990(13) 0.3474(9) 0.0554(7) 0.112(5) Uani 1 1 d . . . . .
H48 H 0.5478 0.3971 0.0118 0.135 Uiso 1 1 calc R U . . .
C49 C 0.6333(11) 0.2675(12) 0.0909(11) 0.165(7) Uani 1 1 d . . . . .
H49A H 0.6375 0.2163 0.1385 0.248 Uiso 1 1 calc R U . . .
H49B H 0.6630 0.3209 0.0876 0.248 Uiso 1 1 calc R U . . .
H49C H 0.6696 0.2627 0.0371 0.248 Uiso 1 1 calc R U . . .
C50 C -0.0271(15) 0.0363(10) -0.0314(10) 0.092(6) Uiso 0.5 1 d G . P . .
C51 C 0.0756(13) 0.0405(10) -0.0589(9) 0.081(8) Uiso 0.5 1 d G . P . .
H51 H 0.1188 0.0840 -0.1136 0.097 Uiso 0.5 1 calc R U P . .
C52 C 0.1150(10) -0.0191(13) -0.0062(13) 0.135(10) Uiso 0.5 1 d G . P . .
H52 H 0.1852 -0.0162 -0.0250 0.162 Uiso 0.5 1 calc R U P . .
C53 C 0.0518(15) -0.0828(11) 0.0738(12) 0.138(17) Uiso 0.5 1 d G . P . .
H53 H 0.0787 -0.1235 0.1098 0.165 Uiso 0.5 1 calc R U P . .
C54 C -0.0509(14) -0.0870(8) 0.1013(8) 0.070(5) Uiso 0.5 1 d G . P . .
H54 H -0.0942 -0.1306 0.1560 0.085 Uiso 0.5 1 calc R U P . .
C55 C -0.0904(9) -0.0275(11) 0.0486(11) 0.078(8) Uiso 0.5 1 d G . P . .
H55 H -0.1606 -0.0303 0.0674 0.094 Uiso 0.5 1 calc R U P . .
C56 C -0.079(3) 0.089(3) -0.074(2) 0.19(2) Uiso 0.5 1 d . . P . .
H56A H -0.1045 0.1299 -0.0493 0.288 Uiso 0.5 1 calc R U P . .
H56B H -0.1344 0.0525 -0.0684 0.288 Uiso 0.5 1 calc R U P . .
H56C H -0.0342 0.1215 -0.1346 0.288 Uiso 0.5 1 calc R U P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
K O 2.855(4) . ?
K C7 3.061(5) . ?
K C8 3.126(5) . ?
K C12 3.278(6) . ?
K C9 3.311(6) . ?
K Ge2 3.4290(14) . ?
K C11 3.438(6) . ?
K C10 3.469(7) . ?
K Ge6 3.5357(14) . ?
K Ge7 3.5404(14) 2_666 ?
K Ge9 3.7149(15) 2_666 ?
Ge1 C1 1.995(5) . ?
Ge1 Ge2 2.5038(8) . ?
Ge1 Ge5 2.5339(8) . ?
Ge1 Ge4 2.5675(7) . ?
Ge1 Ge6 2.7612(8) . ?
Ge2 Ge3 2.5503(8) . ?
Ge2 Ge7 2.6740(8) . ?
Ge2 Ge6 2.6985(9) . ?
Ge3 Si1 2.3961(16) . ?
Ge3 Ge4 2.5460(8) . ?
Ge3 Ge8 2.5899(8) . ?
Ge3 Ge7 2.6127(8) . ?
Ge4 Ge5 2.6750(8) . ?
Ge4 Ge8 2.7432(8) . ?
Ge5 Si5 2.3953(15) . ?
Ge5 Ge9 2.5437(8) . ?
Ge5 Ge8 2.6063(8) . ?
Ge5 Ge6 2.7587(8) . ?
Ge6 Ge9 2.6077(8) . ?
Ge6 Ge7 2.6926(8) . ?
Ge7 Ge9 2.5900(9) . ?
Ge7 Ge8 2.9322(8) . ?
Ge7 K 3.5404(14) 2_666 ?
Ge8 Ge9 2.6804(9) . ?
Ge9 K 3.7149(15) 2_666 ?
C1 C2 1.535(7) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.510(8) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.519(7) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 O 1.452(7) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
O B 1.380(7) . ?
B N1 1.421(8) . ?
B N2 1.422(8) . ?
N1 C7 1.437(7) . ?
N1 C5 1.473(7) . ?
C5 C6 1.541(9) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 N2 1.484(7) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
N2 C16 1.437(7) . ?
C7 C8 1.402(8) . ?
C7 C12 1.405(8) . ?
C8 C9 1.397(8) . ?
C8 C13 1.519(8) . ?
C9 C10 1.403(9) . ?
C9 H9 1.0000 . ?
C10 C11 1.385(9) . ?
C10 C14 1.508(9) . ?
C11 C12 1.378(9) . ?
C11 H11 0.9500 . ?
C12 C15 1.529(8) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C21 1.392(8) . ?
C16 C17 1.395(9) . ?
C17 C18 1.402(9) . ?
C17 C22 1.532(9) . ?
C18 C19 1.384(9) . ?
C18 H18 0.9500 . ?
C19 C20 1.368(9) . ?
C19 C23 1.508(9) . ?
C20 C21 1.408(9) . ?
C20 H20 0.9500 . ?
C21 C24 1.520(9) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
Si1 Si2 2.342(2) . ?
Si1 Si4 2.349(2) . ?
Si1 Si3 2.354(2) . ?
Si2 C27 1.795(11) . ?
Si2 C26 1.848(8) . ?
Si2 C25 1.936(11) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
Si3 C30 1.863(8) . ?
Si3 C28 1.869(8) . ?
Si3 C29 1.876(8) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
Si4 C33 1.857(8) . ?
Si4 C31 1.860(8) . ?
Si4 C32 1.865(9) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
Si5 Si6 2.343(2) . ?
Si5 Si7 2.356(2) . ?
Si5 Si8 2.359(2) . ?
Si6 C34 1.864(7) . ?
Si6 C36 1.874(6) . ?
Si6 C35 1.879(6) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
Si7 C38 1.877(6) . ?
Si7 C37 1.879(7) . ?
Si7 C39 1.893(6) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
Si8 C41 1.876(7) . ?
Si8 C40 1.877(6) . ?
Si8 C42 1.882(6) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.326(15) . ?
C43 C48 1.402(17) . ?
C43 C49 1.509(17) . ?
C44 C45 1.374(14) . ?
C44 H44 0.9500 . ?
C45 C46 1.348(16) . ?
C45 H45 0.9500 . ?
C46 C47 1.382(17) . ?
C46 H46 0.9500 . ?
C47 C48 1.443(18) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 C56 1.36(4) . ?
C50 C51 1.3900 . ?
C50 C55 1.3900 . ?
C51 C52 1.3900 . ?
C51 H51 0.9500 . ?
C52 C53 1.3900 . ?
C52 H52 0.9500 . ?
C53 C54 1.3900 . ?
C53 H53 0.9500 . ?
C54 C55 1.3900 . ?
C54 H54 0.9500 . ?
C55 H55 0.9500 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?

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
O K C7 60.70(13) . . ?
O K C8 82.95(13) . . ?
C7 K C8 26.18(14) . . ?
O K C12 65.24(14) . . ?
C7 K C12 25.31(14) . . ?
C8 K C12 44.43(15) . . ?
O K C9 104.96(13) . . ?
C7 K C9 44.35(15) . . ?
C8 K C9 24.85(14) . . ?
C12 K C9 49.92(16) . . ?
O K Ge2 118.24(9) . . ?
C7 K Ge2 122.78(12) . . ?
C8 K Ge2 126.98(12) . . ?
C12 K Ge2 97.99(11) . . ?
C9 K Ge2 105.15(12) . . ?
O K C11 87.73(14) . . ?
C7 K C11 42.99(15) . . ?
C8 K C11 49.88(15) . . ?
C12 K C11 23.53(15) . . ?
C9 K C11 41.53(16) . . ?
Ge2 K C11 81.06(10) . . ?
O K C10 106.60(13) . . ?
C7 K C10 50.43(15) . . ?
C8 K C10 42.98(15) . . ?
C12 K C10 41.82(16) . . ?
C9 K C10 23.74(15) . . ?
Ge2 K C10 84.06(11) . . ?
C11 K C10 23.14(16) . . ?
O K Ge6 104.70(8) . . ?
C7 K Ge6 157.10(12) . . ?
C8 K Ge6 171.18(12) . . ?
C12 K Ge6 134.73(11) . . ?
C9 K Ge6 146.33(12) . . ?
Ge2 K Ge6 45.56(2) . . ?
C11 K Ge6 125.02(11) . . ?
C10 K Ge6 129.03(11) . . ?
O K Ge7 138.06(10) . 2_666 ?
C7 K Ge7 145.77(11) . 2_666 ?
C8 K Ge7 119.92(11) . 2_666 ?
C12 K Ge7 155.54(12) . 2_666 ?
C9 K Ge7 107.43(11) . 2_666 ?
Ge2 K Ge7 77.71(3) . 2_666 ?
C11 K Ge7 134.17(12) . 2_666 ?
C10 K Ge7 113.81(11) . 2_666 ?
Ge6 K Ge7 56.98(2) . 2_666 ?
O K Ge9 165.23(9) . 2_666 ?
C7 K Ge9 111.57(12) . 2_666 ?
C8 K Ge9 86.91(11) . 2_666 ?
C12 K Ge9 113.80(12) . 2_666 ?
C9 K Ge9 67.81(11) . 2_666 ?
Ge2 K Ge9 76.49(3) . 2_666 ?
C11 K Ge9 93.93(12) . 2_666 ?
C10 K Ge9 72.25(11) . 2_666 ?
Ge6 K Ge9 86.35(3) . 2_666 ?
Ge7 K Ge9 41.74(2) 2_666 2_666 ?
C1 Ge1 Ge2 126.35(16) . . ?
C1 Ge1 Ge5 113.45(17) . . ?
Ge2 Ge1 Ge5 107.22(3) . . ?
C1 Ge1 Ge4 125.51(15) . . ?
Ge2 Ge1 Ge4 103.25(3) . . ?
Ge5 Ge1 Ge4 63.25(2) . . ?
C1 Ge1 Ge6 109.43(17) . . ?
Ge2 Ge1 Ge6 61.44(2) . . ?
Ge5 Ge1 Ge6 62.62(2) . . ?
Ge4 Ge1 Ge6 113.63(3) . . ?
Ge1 Ge2 Ge3 77.49(2) . . ?
Ge1 Ge2 Ge7 99.79(3) . . ?
Ge3 Ge2 Ge7 59.96(2) . . ?
Ge1 Ge2 Ge6 63.99(2) . . ?
Ge3 Ge2 Ge6 98.25(3) . . ?
Ge7 Ge2 Ge6 60.16(2) . . ?
Ge1 Ge2 K 101.48(3) . . ?
Ge3 Ge2 K 166.04(4) . . ?
Ge7 Ge2 K 106.98(3) . . ?
Ge6 Ge2 K 69.31(3) . . ?
Si1 Ge3 Ge4 126.72(4) . . ?
Si1 Ge3 Ge2 122.58(4) . . ?
Ge4 Ge3 Ge2 102.55(3) . . ?
Si1 Ge3 Ge8 112.12(4) . . ?
Ge4 Ge3 Ge8 64.56(2) . . ?
Ge2 Ge3 Ge8 114.88(3) . . ?
Si1 Ge3 Ge7 109.31(5) . . ?
Ge4 Ge3 Ge7 116.38(3) . . ?
Ge2 Ge3 Ge7 62.37(2) . . ?
Ge8 Ge3 Ge7 68.61(2) . . ?
Ge3 Ge4 Ge1 76.43(2) . . ?
Ge3 Ge4 Ge5 89.92(3) . . ?
Ge1 Ge4 Ge5 57.77(2) . . ?
Ge3 Ge4 Ge8 58.50(2) . . ?
Ge1 Ge4 Ge8 97.45(2) . . ?
Ge5 Ge4 Ge8 57.49(2) . . ?
Si5 Ge5 Ge1 122.07(4) . . ?
Si5 Ge5 Ge9 115.89(4) . . ?
Ge1 Ge5 Ge9 115.24(3) . . ?
Si5 Ge5 Ge8 124.62(4) . . ?
Ge1 Ge5 Ge8 101.93(3) . . ?
Ge9 Ge5 Ge8 62.71(2) . . ?
Si5 Ge5 Ge4 111.54(4) . . ?
Ge1 Ge5 Ge4 58.99(2) . . ?
Ge9 Ge5 Ge4 121.26(3) . . ?
Ge8 Ge5 Ge4 62.57(2) . . ?
Si5 Ge5 Ge6 130.43(4) . . ?
Ge1 Ge5 Ge6 62.72(2) . . ?
Ge9 Ge5 Ge6 58.75(2) . . ?
Ge8 Ge5 Ge6 97.71(2) . . ?
Ge4 Ge5 Ge6 110.35(3) . . ?
Ge9 Ge6 Ge7 58.48(2) . . ?
Ge9 Ge6 Ge2 112.45(3) . . ?
Ge7 Ge6 Ge2 59.47(2) . . ?
Ge9 Ge6 Ge5 56.50(2) . . ?
Ge7 Ge6 Ge5 86.14(2) . . ?
Ge2 Ge6 Ge5 95.99(2) . . ?
Ge9 Ge6 Ge1 105.97(2) . . ?
Ge7 Ge6 Ge1 93.17(2) . . ?
Ge2 Ge6 Ge1 54.58(2) . . ?
Ge5 Ge6 Ge1 54.652(19) . . ?
Ge9 Ge6 K 153.38(3) . . ?
Ge7 Ge6 K 103.71(3) . . ?
Ge2 Ge6 K 65.13(3) . . ?
Ge5 Ge6 K 147.87(3) . . ?
Ge1 Ge6 K 93.87(3) . . ?
Ge9 Ge7 Ge3 106.69(3) . . ?
Ge9 Ge7 Ge2 113.84(3) . . ?
Ge3 Ge7 Ge2 57.67(2) . . ?
Ge9 Ge7 Ge6 59.12(2) . . ?
Ge3 Ge7 Ge6 96.88(3) . . ?
Ge2 Ge7 Ge6 60.37(2) . . ?
Ge9 Ge7 Ge8 57.68(2) . . ?
Ge3 Ge7 Ge8 55.33(2) . . ?
Ge2 Ge7 Ge8 101.11(3) . . ?
Ge6 Ge7 Ge8 91.76(2) . . ?
Ge9 Ge7 K 72.74(3) . 2_666 ?
Ge3 Ge7 K 127.28(3) . 2_666 ?
Ge2 Ge7 K 171.27(3) . 2_666 ?
Ge6 Ge7 K 122.48(3) . 2_666 ?
Ge8 Ge7 K 87.24(3) . 2_666 ?
Ge3 Ge8 Ge5 90.50(2) . . ?
Ge3 Ge8 Ge9 104.72(3) . . ?
Ge5 Ge8 Ge9 57.50(2) . . ?
Ge3 Ge8 Ge4 56.94(2) . . ?
Ge5 Ge8 Ge4 59.94(2) . . ?
Ge9 Ge8 Ge4 113.99(3) . . ?
Ge3 Ge8 Ge7 56.06(2) . . ?
Ge5 Ge8 Ge7 84.26(2) . . ?
Ge9 Ge8 Ge7 54.74(2) . . ?
Ge4 Ge8 Ge7 101.10(2) . . ?
Ge5 Ge9 Ge7 92.97(3) . . ?
Ge5 Ge9 Ge6 64.75(2) . . ?
Ge7 Ge9 Ge6 62.40(2) . . ?
Ge5 Ge9 Ge8 59.79(2) . . ?
Ge7 Ge9 Ge8 67.58(2) . . ?
Ge6 Ge9 Ge8 99.67(3) . . ?
Ge5 Ge9 K 146.50(3) . 2_666 ?
Ge7 Ge9 K 65.52(3) . 2_666 ?
Ge6 Ge9 K 119.10(3) . 2_666 ?
Ge8 Ge9 K 87.55(3) . 2_666 ?
C2 C1 Ge1 116.1(4) . . ?
C2 C1 H1A 108.3 . . ?
Ge1 C1 H1A 108.3 . . ?
C2 C1 H1B 108.3 . . ?
Ge1 C1 H1B 108.3 . . ?
H1A C1 H1B 107.4 . . ?
C3 C2 C1 114.2(5) . . ?
C3 C2 H2A 108.7 . . ?
C1 C2 H2A 108.7 . . ?
C3 C2 H2B 108.7 . . ?
C1 C2 H2B 108.7 . . ?
H2A C2 H2B 107.6 . . ?
C2 C3 C4 114.3(5) . . ?
C2 C3 H3A 108.7 . . ?
C4 C3 H3A 108.7 . . ?
C2 C3 H3B 108.7 . . ?
C4 C3 H3B 108.7 . . ?
H3A C3 H3B 107.6 . . ?
O C4 C3 110.7(4) . . ?
O C4 H4A 109.5 . . ?
C3 C4 H4A 109.5 . . ?
O C4 H4B 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 108.1 . . ?
B O C4 120.0(4) . . ?
B O K 116.8(3) . . ?
C4 O K 122.9(3) . . ?
O B N1 120.7(5) . . ?
O B N2 129.9(6) . . ?
N1 B N2 109.4(5) . . ?
B N1 C7 125.7(4) . . ?
B N1 C5 110.0(5) . . ?
C7 N1 C5 118.6(5) . . ?
N1 C5 C6 104.0(5) . . ?
N1 C5 H5A 111.0 . . ?
C6 C5 H5A 111.0 . . ?
N1 C5 H5B 111.0 . . ?
C6 C5 H5B 111.0 . . ?
H5A C5 H5B 109.0 . . ?
N2 C6 C5 105.2(5) . . ?
N2 C6 H6A 110.7 . . ?
C5 C6 H6A 110.7 . . ?
N2 C6 H6B 110.7 . . ?
C5 C6 H6B 110.7 . . ?
H6A C6 H6B 108.8 . . ?
B N2 C16 131.4(5) . . ?
B N2 C6 108.8(5) . . ?
C16 N2 C6 118.6(4) . . ?
C8 C7 C12 119.5(5) . . ?
C8 C7 N1 119.7(5) . . ?
C12 C7 N1 120.7(5) . . ?
C8 C7 K 79.5(3) . . ?
C12 C7 K 86.0(3) . . ?
N1 C7 K 103.3(3) . . ?
C9 C8 C7 119.3(5) . . ?
C9 C8 C13 119.2(5) . . ?
C7 C8 C13 121.5(5) . . ?
C9 C8 K 85.0(3) . . ?
C7 C8 K 74.3(3) . . ?
C13 C8 K 108.8(4) . . ?
C8 C9 C10 121.0(6) . . ?
C8 C9 K 70.1(3) . . ?
C10 C9 K 84.4(4) . . ?
C8 C9 H9 119.5 . . ?
C10 C9 H9 119.5 . . ?
K C9 H9 119.5 . . ?
C11 C10 C9 118.4(6) . . ?
C11 C10 C14 121.4(6) . . ?
C9 C10 C14 120.2(6) . . ?
C11 C10 K 77.2(4) . . ?
C9 C10 K 71.8(4) . . ?
C14 C10 K 120.9(4) . . ?
C12 C11 C10 121.8(6) . . ?
C12 C11 K 71.7(3) . . ?
C10 C11 K 79.7(4) . . ?
C12 C11 H11 119.1 . . ?
C10 C11 H11 119.1 . . ?
K C11 H11 120.4 . . ?
C11 C12 C7 119.8(6) . . ?
C11 C12 C15 119.7(6) . . ?
C7 C12 C15 120.5(6) . . ?
C11 C12 K 84.8(4) . . ?
C7 C12 K 68.7(3) . . ?
C15 C12 K 117.7(4) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C21 C16 C17 120.4(6) . . ?
C21 C16 N2 119.2(6) . . ?
C17 C16 N2 120.4(6) . . ?
C16 C17 C18 119.1(6) . . ?
C16 C17 C22 120.6(6) . . ?
C18 C17 C22 120.2(6) . . ?
C19 C18 C17 121.1(6) . . ?
C19 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
C20 C19 C18 118.9(6) . . ?
C20 C19 C23 121.1(7) . . ?
C18 C19 C23 120.0(7) . . ?
C19 C20 C21 122.0(6) . . ?
C19 C20 H20 119.0 . . ?
C21 C20 H20 119.0 . . ?
C16 C21 C20 118.5(6) . . ?
C16 C21 C24 120.9(6) . . ?
C20 C21 C24 120.7(6) . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C19 C23 H23A 109.5 . . ?
C19 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C19 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si2 Si1 Si4 115.46(11) . . ?
Si2 Si1 Si3 108.42(9) . . ?
Si4 Si1 Si3 108.78(9) . . ?
Si2 Si1 Ge3 104.56(8) . . ?
Si4 Si1 Ge3 105.00(7) . . ?
Si3 Si1 Ge3 114.77(8) . . ?
C27 Si2 C26 112.1(5) . . ?
C27 Si2 C25 104.6(7) . . ?
C26 Si2 C25 104.2(5) . . ?
C27 Si2 Si1 114.5(4) . . ?
C26 Si2 Si1 114.5(3) . . ?
C25 Si2 Si1 105.6(3) . . ?
Si2 C25 H25A 109.5 . . ?
Si2 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si2 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si2 C26 H26A 109.5 . . ?
Si2 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si2 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si2 C27 H27A 109.5 . . ?
Si2 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si2 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C30 Si3 C28 106.9(4) . . ?
C30 Si3 C29 109.1(5) . . ?
C28 Si3 C29 106.2(6) . . ?
C30 Si3 Si1 109.7(3) . . ?
C28 Si3 Si1 112.4(2) . . ?
C29 Si3 Si1 112.2(3) . . ?
Si3 C28 H28A 109.5 . . ?
Si3 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si3 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si3 C29 H29A 109.5 . . ?
Si3 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si3 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si3 C30 H30A 109.5 . . ?
Si3 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si3 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C33 Si4 C31 110.4(5) . . ?
C33 Si4 C32 107.3(5) . . ?
C31 Si4 C32 107.0(4) . . ?
C33 Si4 Si1 110.9(3) . . ?
C31 Si4 Si1 110.5(3) . . ?
C32 Si4 Si1 110.8(3) . . ?
Si4 C31 H31A 109.5 . . ?
Si4 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si4 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si4 C32 H32A 109.5 . . ?
Si4 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si4 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si4 C33 H33A 109.5 . . ?
Si4 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si4 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si6 Si5 Si7 112.82(8) . . ?
Si6 Si5 Si8 110.32(8) . . ?
Si7 Si5 Si8 108.55(8) . . ?
Si6 Si5 Ge5 104.91(7) . . ?
Si7 Si5 Ge5 106.47(7) . . ?
Si8 Si5 Ge5 113.78(7) . . ?
C34 Si6 C36 108.9(3) . . ?
C34 Si6 C35 109.3(3) . . ?
C36 Si6 C35 108.0(3) . . ?
C34 Si6 Si5 109.4(2) . . ?
C36 Si6 Si5 109.1(2) . . ?
C35 Si6 Si5 112.1(2) . . ?
Si6 C34 H34A 109.5 . . ?
Si6 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
Si6 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si6 C35 H35A 109.5 . . ?
Si6 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
Si6 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si6 C36 H36A 109.5 . . ?
Si6 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
Si6 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 Si7 C37 108.0(3) . . ?
C38 Si7 C39 109.1(3) . . ?
C37 Si7 C39 109.4(3) . . ?
C38 Si7 Si5 109.9(2) . . ?
C37 Si7 Si5 111.2(2) . . ?
C39 Si7 Si5 109.2(2) . . ?
Si7 C37 H37A 109.5 . . ?
Si7 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
Si7 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si7 C38 H38A 109.5 . . ?
Si7 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si7 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Si7 C39 H39A 109.5 . . ?
Si7 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
Si7 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 Si8 C40 108.9(3) . . ?
C41 Si8 C42 107.4(3) . . ?
C40 Si8 C42 107.8(3) . . ?
C41 Si8 Si5 112.5(2) . . ?
C40 Si8 Si5 110.2(2) . . ?
C42 Si8 Si5 109.9(2) . . ?
Si8 C40 H40A 109.5 . . ?
Si8 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si8 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si8 C41 H41A 109.5 . . ?
Si8 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si8 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si8 C42 H42A 109.5 . . ?
Si8 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si8 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 C48 121.1(13) . . ?
C44 C43 C49 118.9(15) . . ?
C48 C43 C49 119.9(14) . . ?
C43 C44 C45 120.9(13) . . ?
C43 C44 H44 119.6 . . ?
C45 C44 H44 119.6 . . ?
C46 C45 C44 121.9(13) . . ?
C46 C45 H45 119.1 . . ?
C44 C45 H45 119.1 . . ?
C45 C46 C47 119.2(13) . . ?
C45 C46 H46 120.4 . . ?
C47 C46 H46 120.4 . . ?
C46 C47 C48 119.7(14) . . ?
C46 C47 H47 120.1 . . ?
C48 C47 H47 120.1 . . ?
C43 C48 C47 117.1(12) . . ?
C43 C48 H48 121.4 . . ?
C47 C48 H48 121.4 . . ?
C43 C49 H49A 109.5 . . ?
C43 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C43 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C56 C50 C51 128(2) . . ?
C56 C50 C55 112(2) . . ?
C51 C50 C55 120.0 . . ?
C50 C51 C52 120.0 . . ?
C50 C51 H51 120.0 . . ?
C52 C51 H51 120.0 . . ?
C53 C52 C51 120.0 . . ?
C53 C52 H52 120.0 . . ?
C51 C52 H52 120.0 . . ?
C52 C53 C54 120.0 . . ?
C52 C53 H53 120.0 . . ?
C54 C53 H53 120.0 . . ?
C55 C54 C53 120.0 . . ?
C55 C54 H54 120.0 . . ?
C53 C54 H54 120.0 . . ?
C54 C55 C50 120.0 . . ?
C54 C55 H55 120.0 . . ?
C50 C55 H55 120.0 . . ?
C50 C56 H56A 109.5 . . ?
C50 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C50 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?

_refine_diff_density_max         1.445
_refine_diff_density_min         -1.265
_refine_diff_density_rms         0.136



#============================================================================== 
# END of CIF  
#============================================================================== 
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_FSG-1196
_database_code_depnum_ccdc_archive 'CCDC 1993878'
loop_
_audit_author_name
_audit_author_address
'Felix Geitner'
;Technische Universitaet Muenchen
Germany
;
_audit_update_record             
;
2020-03-31 deposited with the CCDC.	2021-04-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C40 H83 B Ge9 K N3 Si8, C7 H8'
_chemical_formula_sum            'C47 H91 B Ge9 K N3 Si8'
_chemical_formula_weight         1626.16

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'
B B 0.0013 0.0007 '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'
K K 0.2009 0.2494 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   13.7573(4)
_cell_length_b                   9.2613(3)
_cell_length_c                   28.4239(10)
_cell_angle_alpha                90.000(3)
_cell_angle_beta                 94.438(3)
_cell_angle_gamma                90.000(2)
_cell_volume                     3610.6(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    135436
_cell_measurement_theta_min      2.52
_cell_measurement_theta_max      34.00

_exptl_crystal_description       needle
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.496
_exptl_crystal_F_000             1636
_exptl_crystal_size_max          0.7
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    3.911
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.740
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   'STOE X-AREA 1.76'

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Genix 3D HF Mo'
_diffrn_measurement_device_type  'STOE StadiVari'
_diffrn_measurement_method       'ω scans'
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_reflns_number            78148
_diffrn_reflns_av_unetI/netI     0.0258
_diffrn_reflns_av_R_equivalents  0.0405
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         2.522
_diffrn_reflns_theta_max         25.996
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             14199
_reflns_number_gt                13310
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.879
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'STOE X-AREA 1.76'
_computing_cell_refinement       'STOE X-AREA 1.76'
_computing_data_reduction        'STOE X-AREA 1.76'
_computing_structure_solution    SHELXS-97
_computing_structure_refinement  SHELXL-2014/7
_computing_molecular_graphics    'DIAMOND 3.2k'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0302P)²+1.8949P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 5870 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.002(5)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         14199
_refine_ls_number_parameters     648
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0296
_refine_ls_R_factor_gt           0.0253
_refine_ls_wR_factor_ref         0.0574
_refine_ls_wR_factor_gt          0.0556
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.39215(3) 0.45167(5) 0.26786(2) 0.02726(11) Uani 1 1 d . . . . .
Ge2 Ge 0.38559(4) 0.69144(5) 0.22483(2) 0.02769(11) Uani 1 1 d . . . . .
Ge3 Ge 0.21237(4) 0.64394(5) 0.19278(2) 0.02530(11) Uani 1 1 d . . . . .
Ge4 Ge 0.26005(4) 0.38226(5) 0.20473(2) 0.03039(12) Uani 1 1 d . . . . .
Ge5 Ge 0.23690(4) 0.33986(5) 0.29602(2) 0.02891(12) Uani 1 1 d . . . . .
Ge6 Ge 0.37526(4) 0.67438(5) 0.31773(2) 0.02709(11) Uani 1 1 d . . . . .
Ge7 Ge 0.22817(4) 0.79718(5) 0.26593(2) 0.02497(11) Uani 1 1 d . . . . .
Ge8 Ge 0.10831(3) 0.50362(5) 0.24768(2) 0.02519(11) Uani 1 1 d . . . . .
Ge9 Ge 0.20119(4) 0.59266(5) 0.32377(2) 0.02462(11) Uani 1 1 d . . . . .
K1 K 0.39943(8) 0.06005(12) 0.31968(5) 0.0419(3) Uani 1 1 d . . . . .
Si1 Si 0.13528(9) 0.76286(13) 0.12616(4) 0.0227(3) Uani 1 1 d . . . . .
Si2 Si 0.00079(10) 0.89473(16) 0.15026(5) 0.0341(3) Uani 1 1 d . . . . .
Si3 Si 0.08484(11) 0.58336(17) 0.07165(5) 0.0359(3) Uani 1 1 d . . . . .
Si4 Si 0.25453(11) 0.91280(15) 0.09669(6) 0.0350(3) Uani 1 1 d . . . . .
Si5 Si 0.10746(8) 0.66076(12) 0.38717(4) 0.0201(2) Uani 1 1 d . . . . .
Si6 Si -0.05045(9) 0.56393(14) 0.37587(5) 0.0261(3) Uani 1 1 d . . . . .
Si7 Si 0.19523(10) 0.57509(16) 0.45583(5) 0.0307(3) Uani 1 1 d . . . . .
Si8 Si 0.09961(10) 0.91354(13) 0.38713(5) 0.0253(3) Uani 1 1 d . . . . .
B1 B 0.6344(4) 0.1646(5) 0.29346(19) 0.0228(10) Uani 1 1 d . . . . .
N1 N 0.5392(3) 0.2331(4) 0.28383(13) 0.0223(8) Uani 1 1 d . . . . .
N2 N 0.6615(3) 0.0971(4) 0.33745(13) 0.0248(8) Uani 1 1 d . . . . .
N3 N 0.7097(3) 0.1429(4) 0.26281(14) 0.0258(8) Uani 1 1 d . . . . .
C1 C 0.5253(3) 0.3646(5) 0.27217(16) 0.0230(9) Uani 1 1 d . . . . .
C2 C 0.6059(3) 0.4713(5) 0.2645(2) 0.0330(11) Uani 1 1 d . . . . .
H2A H 0.5929 0.5624 0.2804 0.049 Uiso 1 1 calc R U . . .
H2B H 0.6087 0.4888 0.2306 0.049 Uiso 1 1 calc R U . . .
H2C H 0.6684 0.4319 0.2775 0.049 Uiso 1 1 calc R U . . .
C3 C 0.7638(3) 0.0484(5) 0.33814(17) 0.0291(11) Uani 1 1 d . . . . .
H3A H 0.7720 -0.0484 0.3526 0.035 Uiso 1 1 calc R U . . .
H3B H 0.8081 0.1172 0.3557 0.035 Uiso 1 1 calc R U . . .
C4 C 0.7827(4) 0.0445(6) 0.28582(18) 0.0337(12) Uani 1 1 d . . . . .
H4A H 0.8496 0.0779 0.2811 0.040 Uiso 1 1 calc R U . . .
H4B H 0.7743 -0.0546 0.2730 0.040 Uiso 1 1 calc R U . . .
C5 C 0.7075(3) 0.1603(5) 0.21278(16) 0.0241(9) Uani 1 1 d . . . . .
C6 C 0.7691(3) 0.2594(5) 0.19301(19) 0.0321(11) Uani 1 1 d . . . . .
C7 C 0.7645(4) 0.2739(6) 0.1440(2) 0.0383(12) Uani 1 1 d . . . . .
H7 H 0.8057 0.3426 0.1307 0.046 Uiso 1 1 calc R U . . .
C8 C 0.7024(4) 0.1925(6) 0.11433(19) 0.0388(12) Uani 1 1 d . . . . .
C9 C 0.6436(4) 0.0927(6) 0.13469(19) 0.0375(12) Uani 1 1 d . . . . .
H9 H 0.6011 0.0346 0.1147 0.045 Uiso 1 1 calc R U . . .
C10 C 0.6446(3) 0.0745(5) 0.18296(18) 0.0299(10) Uani 1 1 d . . . . .
C11 C 0.8401(4) 0.3505(7) 0.2233(2) 0.0496(15) Uani 1 1 d . . . . .
H11A H 0.8329 0.3299 0.2566 0.074 Uiso 1 1 calc R U . . .
H11B H 0.8267 0.4529 0.2170 0.074 Uiso 1 1 calc R U . . .
H11C H 0.9068 0.3279 0.2158 0.074 Uiso 1 1 calc R U . . .
C12 C 0.6993(5) 0.2094(8) 0.0612(2) 0.0579(18) Uani 1 1 d . . . . .
H12A H 0.6886 0.3111 0.0528 0.087 Uiso 1 1 calc R U . . .
H12B H 0.6460 0.1509 0.0464 0.087 Uiso 1 1 calc R U . . .
H12C H 0.7613 0.1771 0.0500 0.087 Uiso 1 1 calc R U . . .
C13 C 0.5788(4) -0.0363(6) 0.2033(2) 0.0464(14) Uani 1 1 d . . . . .
H13A H 0.6163 -0.0926 0.2277 0.070 Uiso 1 1 calc R U . . .
H13B H 0.5526 -0.1011 0.1782 0.070 Uiso 1 1 calc R U . . .
H13C H 0.5249 0.0129 0.2173 0.070 Uiso 1 1 calc R U . . .
C14 C 0.6077(3) 0.0936(5) 0.37832(16) 0.0228(9) Uani 1 1 d . . . . .
C15 C 0.5781(3) -0.0394(5) 0.39637(17) 0.0272(10) Uani 1 1 d . . . . .
C16 C 0.5157(4) -0.0406(6) 0.43273(19) 0.0337(11) Uani 1 1 d . . . . .
H16 H 0.4960 -0.1309 0.4447 0.040 Uiso 1 1 calc R U . . .
C17 C 0.4813(3) 0.0851(6) 0.45207(17) 0.0316(11) Uani 1 1 d . . . . .
C18 C 0.5147(4) 0.2158(5) 0.43515(17) 0.0300(11) Uani 1 1 d . . . . .
H18 H 0.4933 0.3032 0.4484 0.036 Uiso 1 1 calc R U . . .
C19 C 0.5784(3) 0.2228(5) 0.39943(16) 0.0253(10) Uani 1 1 d . . . . .
C20 C 0.6107(4) -0.1814(5) 0.3767(2) 0.0377(12) Uani 1 1 d . . . . .
H20A H 0.6749 -0.2072 0.3917 0.057 Uiso 1 1 calc R U . . .
H20B H 0.6148 -0.1723 0.3425 0.057 Uiso 1 1 calc R U . . .
H20C H 0.5635 -0.2570 0.3830 0.057 Uiso 1 1 calc R U . . .
C21 C 0.4146(4) 0.0829(7) 0.49191(19) 0.0439(13) Uani 1 1 d . . . . .
H21A H 0.3853 -0.0131 0.4940 0.066 Uiso 1 1 calc R U . . .
H21B H 0.3631 0.1551 0.4859 0.066 Uiso 1 1 calc R U . . .
H21C H 0.4523 0.1053 0.5217 0.066 Uiso 1 1 calc R U . . .
C22 C 0.6171(4) 0.3682(5) 0.38586(18) 0.0326(11) Uani 1 1 d . . . . .
H22A H 0.6379 0.4227 0.4144 0.049 Uiso 1 1 calc R U . . .
H22B H 0.5657 0.4217 0.3675 0.049 Uiso 1 1 calc R U . . .
H22C H 0.6728 0.3547 0.3668 0.049 Uiso 1 1 calc R U . . .
C23 C 0.0416(6) 1.0692(8) 0.1782(3) 0.078(2) Uani 1 1 d . . . . .
H23A H -0.0139 1.1170 0.1912 0.116 Uiso 1 1 calc R U . . .
H23B H 0.0679 1.1317 0.1544 0.116 Uiso 1 1 calc R U . . .
H23C H 0.0924 1.0504 0.2036 0.116 Uiso 1 1 calc R U . . .
C24 C -0.0665(5) 0.7925(8) 0.1936(2) 0.0567(17) Uani 1 1 d . . . . .
H24A H -0.0250 0.7809 0.2229 0.085 Uiso 1 1 calc R U . . .
H24B H -0.0843 0.6972 0.1806 0.085 Uiso 1 1 calc R U . . .
H24C H -0.1257 0.8454 0.2000 0.085 Uiso 1 1 calc R U . . .
C25 C -0.0865(5) 0.9336(9) 0.0977(2) 0.067(2) Uani 1 1 d . . . . .
H25A H -0.1398 0.9944 0.1073 0.100 Uiso 1 1 calc R U . . .
H25B H -0.1132 0.8426 0.0846 0.100 Uiso 1 1 calc R U . . .
H25C H -0.0521 0.9840 0.0736 0.100 Uiso 1 1 calc R U . . .
C26 C -0.0157(6) 0.4764(8) 0.0948(3) 0.070(2) Uani 1 1 d . . . . .
H26A H 0.0094 0.4226 0.1228 0.105 Uiso 1 1 calc R U . . .
H26B H -0.0417 0.4085 0.0705 0.105 Uiso 1 1 calc R U . . .
H26C H -0.0676 0.5417 0.1032 0.105 Uiso 1 1 calc R U . . .
C27 C 0.0399(5) 0.6734(9) 0.0148(2) 0.067(2) Uani 1 1 d . . . . .
H27A H -0.0142 0.7383 0.0205 0.101 Uiso 1 1 calc R U . . .
H27B H 0.0173 0.5998 -0.0083 0.101 Uiso 1 1 calc R U . . .
H27C H 0.0930 0.7290 0.0025 0.101 Uiso 1 1 calc R U . . .
C28 C 0.1862(5) 0.4592(7) 0.0594(2) 0.0574(17) Uani 1 1 d . . . . .
H28A H 0.2390 0.5145 0.0468 0.086 Uiso 1 1 calc R U . . .
H28B H 0.1623 0.3864 0.0363 0.086 Uiso 1 1 calc R U . . .
H28C H 0.2105 0.4113 0.0888 0.086 Uiso 1 1 calc R U . . .
C29 C 0.3109(5) 1.0307(7) 0.1446(3) 0.0615(19) Uani 1 1 d . . . . .
H29A H 0.2609 1.0941 0.1562 0.092 Uiso 1 1 calc R U . . .
H29B H 0.3623 1.0895 0.1322 0.092 Uiso 1 1 calc R U . . .
H29C H 0.3389 0.9705 0.1706 0.092 Uiso 1 1 calc R U . . .
C30 C 0.3524(5) 0.8036(7) 0.0727(2) 0.0545(16) Uani 1 1 d . . . . .
H30A H 0.3809 0.7388 0.0973 0.082 Uiso 1 1 calc R U . . .
H30B H 0.4030 0.8679 0.0623 0.082 Uiso 1 1 calc R U . . .
H30C H 0.3249 0.7464 0.0459 0.082 Uiso 1 1 calc R U . . .
C31 C 0.1941(6) 1.0283(9) 0.0483(3) 0.079(3) Uani 1 1 d . . . . .
H31A H 0.1389 1.0799 0.0603 0.118 Uiso 1 1 calc R U . . .
H31B H 0.1707 0.9669 0.0217 0.118 Uiso 1 1 calc R U . . .
H31C H 0.2413 1.0982 0.0377 0.118 Uiso 1 1 calc R U . . .
C32 C -0.1202(4) 0.6492(6) 0.32371(19) 0.0385(12) Uani 1 1 d . . . . .
H32A H -0.1855 0.6068 0.3196 0.058 Uiso 1 1 calc R U . . .
H32B H -0.0858 0.6320 0.2953 0.058 Uiso 1 1 calc R U . . .
H32C H -0.1256 0.7534 0.3290 0.058 Uiso 1 1 calc R U . . .
C33 C -0.0447(5) 0.3654(6) 0.3650(3) 0.0524(16) Uani 1 1 d . . . . .
H33A H -0.0132 0.3175 0.3929 0.079 Uiso 1 1 calc R U . . .
H33B H -0.0069 0.3471 0.3377 0.079 Uiso 1 1 calc R U . . .
H33C H -0.1109 0.3274 0.3586 0.079 Uiso 1 1 calc R U . . .
C34 C -0.1187(4) 0.5990(8) 0.4293(2) 0.0506(16) Uani 1 1 d . . . . .
H34A H -0.0831 0.5564 0.4572 0.076 Uiso 1 1 calc R U . . .
H34B H -0.1837 0.5556 0.4249 0.076 Uiso 1 1 calc R U . . .
H34C H -0.1250 0.7034 0.4339 0.076 Uiso 1 1 calc R U . . .
C35 C 0.1624(5) 0.3828(6) 0.4669(2) 0.0519(16) Uani 1 1 d . . . . .
H35A H 0.1992 0.3485 0.4957 0.078 Uiso 1 1 calc R U . . .
H35B H 0.1785 0.3232 0.4401 0.078 Uiso 1 1 calc R U . . .
H35C H 0.0924 0.3758 0.4708 0.078 Uiso 1 1 calc R U . . .
C36 C 0.1738(5) 0.6862(7) 0.50918(19) 0.0507(15) Uani 1 1 d . . . . .
H36A H 0.2071 0.6416 0.5372 0.076 Uiso 1 1 calc R U . . .
H36B H 0.1037 0.6913 0.5130 0.076 Uiso 1 1 calc R U . . .
H36C H 0.1993 0.7839 0.5052 0.076 Uiso 1 1 calc R U . . .
C37 C 0.3291(4) 0.5811(9) 0.4483(2) 0.0599(19) Uani 1 1 d . . . . .
H37A H 0.3490 0.6813 0.4435 0.090 Uiso 1 1 calc R U . . .
H37B H 0.3433 0.5229 0.4209 0.090 Uiso 1 1 calc R U . . .
H37C H 0.3650 0.5424 0.4767 0.090 Uiso 1 1 calc R U . . .
C38 C 0.0416(4) 0.9873(6) 0.3305(2) 0.0389(13) Uani 1 1 d . . . . .
H38A H 0.0353 1.0923 0.3331 0.058 Uiso 1 1 calc R U . . .
H38B H -0.0231 0.9443 0.3241 0.058 Uiso 1 1 calc R U . . .
H38C H 0.0822 0.9639 0.3047 0.058 Uiso 1 1 calc R U . . .
C39 C 0.2264(4) 0.9854(6) 0.3975(2) 0.0447(14) Uani 1 1 d . . . . .
H39A H 0.2507 0.9671 0.4302 0.067 Uiso 1 1 calc R U . . .
H39B H 0.2262 1.0896 0.3914 0.067 Uiso 1 1 calc R U . . .
H39C H 0.2688 0.9373 0.3761 0.067 Uiso 1 1 calc R U . . .
C40 C 0.0260(5) 0.9772(6) 0.4359(2) 0.0511(16) Uani 1 1 d . . . . .
H40A H -0.0428 0.9527 0.4284 0.077 Uiso 1 1 calc R U . . .
H40B H 0.0327 1.0821 0.4394 0.077 Uiso 1 1 calc R U . . .
H40C H 0.0495 0.9301 0.4655 0.077 Uiso 1 1 calc R U . . .
C41 C 0.5387(6) 0.5181(8) 0.0901(3) 0.063(2) Uani 1 1 d . . . . .
C42 C 0.6066(7) 0.6024(9) 0.1151(3) 0.077(2) Uani 1 1 d . . . . .
H42 H 0.6154 0.5909 0.1484 0.093 Uiso 1 1 calc R U . . .
C43 C 0.6629(7) 0.7037(10) 0.0937(4) 0.091(3) Uani 1 1 d . . . . .
H43 H 0.7099 0.7594 0.1120 0.109 Uiso 1 1 calc R U . . .
C44 C 0.6499(7) 0.7218(9) 0.0464(4) 0.090(3) Uani 1 1 d . . . . .
H44 H 0.6879 0.7908 0.0312 0.108 Uiso 1 1 calc R U . . .
C45 C 0.5810(7) 0.6397(11) 0.0200(3) 0.087(3) Uani 1 1 d . . . . .
H45 H 0.5714 0.6539 -0.0131 0.104 Uiso 1 1 calc R U . . .
C46 C 0.5272(6) 0.5392(9) 0.0412(3) 0.071(2) Uani 1 1 d . . . . .
H46 H 0.4813 0.4825 0.0226 0.085 Uiso 1 1 calc R U . . .
C47 C 0.4774(7) 0.4131(9) 0.1135(4) 0.094(3) Uani 1 1 d . . . . .
H10D H 0.4542 0.3388 0.0908 0.142 Uiso 1 1 calc R U . . .
H10E H 0.4215 0.4631 0.1253 0.142 Uiso 1 1 calc R U . . .
H10F H 0.5160 0.3676 0.1399 0.142 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Ge1 C1 1.997(4) . ?
Ge1 Ge6 2.5236(7) . ?
Ge1 Ge2 2.5332(7) . ?
Ge1 Ge4 2.5360(7) . ?
Ge1 Ge5 2.5573(7) . ?
Ge1 K1 3.9131(12) . ?
Ge2 Ge3 2.5232(7) . ?
Ge2 Ge6 2.6599(7) . ?
Ge2 Ge7 2.7213(7) . ?
Ge3 Si1 2.3692(13) . ?
Ge3 Ge7 2.5128(7) . ?
Ge3 Ge4 2.5267(7) . ?
Ge3 Ge8 2.5532(7) . ?
Ge4 Ge5 2.6679(7) . ?
Ge4 Ge8 2.7396(7) . ?
Ge5 Ge9 2.5308(7) . ?
Ge5 Ge8 2.6347(7) . ?
Ge5 K1 3.4547(12) . ?
Ge6 Ge9 2.5300(7) . ?
Ge6 Ge7 2.6637(7) . ?
Ge6 K1 3.5873(12) 1_565 ?
Ge7 Ge9 2.5541(7) . ?
Ge7 K1 3.6407(13) 1_565 ?
Ge8 Ge9 2.5619(7) . ?
Ge9 Si5 2.3806(13) . ?
K1 N1 2.758(4) . ?
K1 C14 3.216(4) . ?
K1 C15 3.288(5) . ?
K1 C39 3.442(6) 1_545 ?
K1 B1 3.510(5) . ?
K1 Ge6 3.5873(12) 1_545 ?
K1 Ge7 3.6407(13) 1_545 ?
Si1 Si3 2.3407(19) . ?
Si1 Si4 2.3524(19) . ?
Si1 Si2 2.3622(18) . ?
Si2 C24 1.856(6) . ?
Si2 C23 1.868(7) . ?
Si2 C25 1.878(6) . ?
Si3 C28 1.860(7) . ?
Si3 C26 1.862(7) . ?
Si3 C27 1.880(7) . ?
Si4 C30 1.855(6) . ?
Si4 C29 1.867(7) . ?
Si4 C31 1.884(7) . ?
Si5 Si8 2.3435(16) . ?
Si5 Si6 2.3492(17) . ?
Si5 Si7 2.3520(17) . ?
Si6 C33 1.867(6) . ?
Si6 C34 1.876(6) . ?
Si6 C32 1.877(5) . ?
Si7 C35 1.870(6) . ?
Si7 C37 1.871(6) . ?
Si7 C36 1.875(6) . ?
Si8 C39 1.869(6) . ?
Si8 C38 1.869(5) . ?
Si8 C40 1.874(6) . ?
B1 N3 1.419(6) . ?
B1 N2 1.422(6) . ?
B1 N1 1.462(6) . ?
N1 C1 1.273(6) . ?
N2 C14 1.425(6) . ?
N2 C3 1.476(6) . ?
N3 C5 1.429(6) . ?
N3 C4 1.472(6) . ?
C1 C2 1.514(6) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.530(7) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.396(7) . ?
C5 C10 1.409(7) . ?
C6 C7 1.395(8) . ?
C6 C11 1.509(8) . ?
C7 C8 1.378(8) . ?
C7 H7 0.9500 . ?
C8 C9 1.384(8) . ?
C8 C12 1.516(8) . ?
C9 C10 1.381(7) . ?
C9 H9 0.9500 . ?
C10 C13 1.512(7) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.407(7) . ?
C14 C19 1.411(6) . ?
C15 C16 1.394(7) . ?
C15 C20 1.511(7) . ?
C16 C17 1.386(8) . ?
C16 H16 0.9500 . ?
C17 C18 1.394(7) . ?
C17 C21 1.511(7) . ?
C18 C19 1.393(7) . ?
C18 H18 0.9500 . ?
C19 C22 1.509(6) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 K1 3.442(6) 1_565 ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.374(11) . ?
C41 C46 1.400(11) . ?
C41 C47 1.478(11) . ?
C42 C43 1.386(12) . ?
C42 H42 0.9500 . ?
C43 C44 1.354(13) . ?
C43 H43 0.9500 . ?
C44 C45 1.390(13) . ?
C44 H44 0.9500 . ?
C45 C46 1.358(12) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 H10D 0.9800 . ?
C47 H10E 0.9800 . ?
C47 H10F 0.9800 . ?

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
C1 Ge1 Ge6 114.80(13) . . ?
C1 Ge1 Ge2 112.45(13) . . ?
Ge6 Ge1 Ge2 63.47(2) . . ?
C1 Ge1 Ge4 123.03(13) . . ?
Ge6 Ge1 Ge4 120.83(2) . . ?
Ge2 Ge1 Ge4 83.33(2) . . ?
C1 Ge1 Ge5 127.00(13) . . ?
Ge6 Ge1 Ge5 92.27(2) . . ?
Ge2 Ge1 Ge5 120.44(2) . . ?
Ge4 Ge1 Ge5 63.17(2) . . ?
C1 Ge1 K1 66.80(13) . . ?
Ge6 Ge1 K1 123.15(3) . . ?
Ge2 Ge1 K1 173.27(3) . . ?
Ge4 Ge1 K1 91.57(3) . . ?
Ge5 Ge1 K1 60.30(2) . . ?
Ge3 Ge2 Ge1 91.08(2) . . ?
Ge3 Ge2 Ge6 103.09(2) . . ?
Ge1 Ge2 Ge6 58.087(19) . . ?
Ge3 Ge2 Ge7 57.108(18) . . ?
Ge1 Ge2 Ge7 96.20(2) . . ?
Ge6 Ge2 Ge7 59.325(18) . . ?
Si1 Ge3 Ge7 113.80(4) . . ?
Si1 Ge3 Ge2 124.02(4) . . ?
Ge7 Ge3 Ge2 65.42(2) . . ?
Si1 Ge3 Ge4 130.45(4) . . ?
Ge7 Ge3 Ge4 115.19(2) . . ?
Ge2 Ge3 Ge4 83.72(2) . . ?
Si1 Ge3 Ge8 119.18(4) . . ?
Ge7 Ge3 Ge8 78.37(2) . . ?
Ge2 Ge3 Ge8 115.25(2) . . ?
Ge4 Ge3 Ge8 65.27(2) . . ?
Ge3 Ge4 Ge1 90.93(2) . . ?
Ge3 Ge4 Ge5 102.86(2) . . ?
Ge1 Ge4 Ge5 58.80(2) . . ?
Ge3 Ge4 Ge8 57.831(19) . . ?
Ge1 Ge4 Ge8 96.30(2) . . ?
Ge5 Ge4 Ge8 58.299(18) . . ?
Ge9 Ge5 Ge1 84.83(2) . . ?
Ge9 Ge5 Ge8 59.425(19) . . ?
Ge1 Ge5 Ge8 98.45(2) . . ?
Ge9 Ge5 Ge4 101.98(2) . . ?
Ge1 Ge5 Ge4 58.02(2) . . ?
Ge8 Ge5 Ge4 62.21(2) . . ?
Ge9 Ge5 K1 140.50(3) . . ?
Ge1 Ge5 K1 79.69(2) . . ?
Ge8 Ge5 K1 158.70(3) . . ?
Ge4 Ge5 K1 100.11(3) . . ?
Ge1 Ge6 Ge9 85.55(2) . . ?
Ge1 Ge6 Ge2 58.440(19) . . ?
Ge9 Ge6 Ge2 102.05(2) . . ?
Ge1 Ge6 Ge7 97.90(2) . . ?
Ge9 Ge6 Ge7 58.847(19) . . ?
Ge2 Ge6 Ge7 61.484(19) . . ?
Ge1 Ge6 K1 144.10(3) . 1_565 ?
Ge9 Ge6 K1 112.57(3) . 1_565 ?
Ge2 Ge6 K1 86.80(3) . 1_565 ?
Ge7 Ge6 K1 69.45(2) . 1_565 ?
Ge3 Ge7 Ge9 96.10(2) . . ?
Ge3 Ge7 Ge6 103.27(2) . . ?
Ge9 Ge7 Ge6 57.963(19) . . ?
Ge3 Ge7 Ge2 57.475(19) . . ?
Ge9 Ge7 Ge2 99.76(2) . . ?
Ge6 Ge7 Ge2 59.190(18) . . ?
Ge3 Ge7 K1 137.44(3) . 1_565 ?
Ge9 Ge7 K1 110.32(3) . 1_565 ?
Ge6 Ge7 K1 67.31(2) . 1_565 ?
Ge2 Ge7 K1 84.84(3) . 1_565 ?
Ge3 Ge8 Ge9 94.91(2) . . ?
Ge3 Ge8 Ge5 103.07(2) . . ?
Ge9 Ge8 Ge5 58.269(19) . . ?
Ge3 Ge8 Ge4 56.898(19) . . ?
Ge9 Ge8 Ge4 99.26(2) . . ?
Ge5 Ge8 Ge4 59.488(19) . . ?
Si5 Ge9 Ge6 122.90(4) . . ?
Si5 Ge9 Ge5 127.63(4) . . ?
Ge6 Ge9 Ge5 92.75(2) . . ?
Si5 Ge9 Ge7 113.89(3) . . ?
Ge6 Ge9 Ge7 63.19(2) . . ?
Ge5 Ge9 Ge7 116.36(2) . . ?
Si5 Ge9 Ge8 117.41(4) . . ?
Ge6 Ge9 Ge8 116.86(2) . . ?
Ge5 Ge9 Ge8 62.31(2) . . ?
Ge7 Ge9 Ge8 77.47(2) . . ?
N1 K1 C14 61.10(11) . . ?
N1 K1 C15 84.31(12) . . ?
C14 K1 C15 24.94(11) . . ?
N1 K1 C39 152.95(13) . 1_545 ?
C14 K1 C39 108.62(13) . 1_545 ?
C15 K1 C39 92.10(14) . 1_545 ?
N1 K1 Ge5 87.23(8) . . ?
C14 K1 Ge5 124.45(9) . . ?
C15 K1 Ge5 141.12(10) . . ?
C39 K1 Ge5 78.83(10) 1_545 . ?
N1 K1 B1 23.25(11) . . ?
C14 K1 B1 44.36(12) . . ?
C15 K1 B1 64.18(12) . . ?
C39 K1 B1 152.38(14) 1_545 . ?
Ge5 K1 B1 110.16(9) . . ?
N1 K1 Ge6 129.73(8) . 1_545 ?
C14 K1 Ge6 100.48(9) . 1_545 ?
C15 K1 Ge6 78.17(9) . 1_545 ?
C39 K1 Ge6 75.06(10) 1_545 1_545 ?
Ge5 K1 Ge6 133.32(4) . 1_545 ?
B1 K1 Ge6 110.93(9) . 1_545 ?
N1 K1 Ge7 132.88(9) . 1_545 ?
C14 K1 Ge7 143.48(9) . 1_545 ?
C15 K1 Ge7 121.14(9) . 1_545 ?
C39 K1 Ge7 71.21(10) 1_545 1_545 ?
Ge5 K1 Ge7 91.82(3) . 1_545 ?
B1 K1 Ge7 132.24(9) . 1_545 ?
Ge6 K1 Ge7 43.239(17) 1_545 1_545 ?
N1 K1 Ge1 47.21(8) . . ?
C14 K1 Ge1 95.82(8) . . ?
C15 K1 Ge1 120.35(9) . . ?
C39 K1 Ge1 115.41(10) 1_545 . ?
Ge5 K1 Ge1 40.015(16) . . ?
B1 K1 Ge1 70.21(8) . . ?
Ge6 K1 Ge1 156.55(5) 1_545 . ?
Ge7 K1 Ge1 117.71(4) 1_545 . ?
Si3 Si1 Si4 111.27(8) . . ?
Si3 Si1 Si2 111.12(7) . . ?
Si4 Si1 Si2 112.43(7) . . ?
Si3 Si1 Ge3 106.88(6) . . ?
Si4 Si1 Ge3 106.11(6) . . ?
Si2 Si1 Ge3 108.71(6) . . ?
C24 Si2 C23 108.0(4) . . ?
C24 Si2 C25 107.8(3) . . ?
C23 Si2 C25 109.0(4) . . ?
C24 Si2 Si1 111.8(2) . . ?
C23 Si2 Si1 110.7(2) . . ?
C25 Si2 Si1 109.6(2) . . ?
C28 Si3 C26 108.9(4) . . ?
C28 Si3 C27 108.4(3) . . ?
C26 Si3 C27 109.6(4) . . ?
C28 Si3 Si1 112.0(2) . . ?
C26 Si3 Si1 109.5(2) . . ?
C27 Si3 Si1 108.4(3) . . ?
C30 Si4 C29 108.4(3) . . ?
C30 Si4 C31 109.4(4) . . ?
C29 Si4 C31 109.6(4) . . ?
C30 Si4 Si1 110.8(2) . . ?
C29 Si4 Si1 110.3(2) . . ?
C31 Si4 Si1 108.3(2) . . ?
Si8 Si5 Si6 109.83(7) . . ?
Si8 Si5 Si7 110.98(7) . . ?
Si6 Si5 Si7 113.24(7) . . ?
Si8 Si5 Ge9 106.97(6) . . ?
Si6 Si5 Ge9 110.17(6) . . ?
Si7 Si5 Ge9 105.39(6) . . ?
C33 Si6 C34 109.6(3) . . ?
C33 Si6 C32 108.0(3) . . ?
C34 Si6 C32 108.1(3) . . ?
C33 Si6 Si5 110.4(2) . . ?
C34 Si6 Si5 109.81(19) . . ?
C32 Si6 Si5 110.98(18) . . ?
C35 Si7 C37 107.5(3) . . ?
C35 Si7 C36 109.3(3) . . ?
C37 Si7 C36 107.1(3) . . ?
C35 Si7 Si5 110.3(2) . . ?
C37 Si7 Si5 110.00(19) . . ?
C36 Si7 Si5 112.5(2) . . ?
C39 Si8 C38 109.6(3) . . ?
C39 Si8 C40 108.8(3) . . ?
C38 Si8 C40 107.6(3) . . ?
C39 Si8 Si5 108.27(19) . . ?
C38 Si8 Si5 112.45(18) . . ?
C40 Si8 Si5 109.96(19) . . ?
N3 B1 N2 108.9(4) . . ?
N3 B1 N1 129.2(4) . . ?
N2 B1 N1 121.7(4) . . ?
N3 B1 K1 145.1(3) . . ?
N2 B1 K1 82.8(3) . . ?
N1 B1 K1 48.1(2) . . ?
C1 N1 B1 125.3(4) . . ?
C1 N1 K1 123.9(3) . . ?
B1 N1 K1 108.6(3) . . ?
B1 N2 C14 127.5(4) . . ?
B1 N2 C3 109.3(4) . . ?
C14 N2 C3 122.5(4) . . ?
B1 N3 C5 129.4(4) . . ?
B1 N3 C4 108.7(4) . . ?
C5 N3 C4 118.3(4) . . ?
N1 C1 C2 124.4(4) . . ?
N1 C1 Ge1 121.4(3) . . ?
C2 C1 Ge1 114.0(3) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N2 C3 C4 103.2(4) . . ?
N2 C3 H3A 111.1 . . ?
C4 C3 H3A 111.1 . . ?
N2 C3 H3B 111.1 . . ?
C4 C3 H3B 111.1 . . ?
H3A C3 H3B 109.1 . . ?
N3 C4 C3 104.8(4) . . ?
N3 C4 H4A 110.8 . . ?
C3 C4 H4A 110.8 . . ?
N3 C4 H4B 110.8 . . ?
C3 C4 H4B 110.8 . . ?
H4A C4 H4B 108.9 . . ?
C6 C5 C10 119.5(4) . . ?
C6 C5 N3 120.5(4) . . ?
C10 C5 N3 120.0(4) . . ?
C7 C6 C5 118.9(5) . . ?
C7 C6 C11 119.5(5) . . ?
C5 C6 C11 121.6(5) . . ?
C8 C7 C6 122.5(5) . . ?
C8 C7 H7 118.8 . . ?
C6 C7 H7 118.8 . . ?
C7 C8 C9 117.6(5) . . ?
C7 C8 C12 121.5(5) . . ?
C9 C8 C12 120.9(6) . . ?
C10 C9 C8 122.4(5) . . ?
C10 C9 H9 118.8 . . ?
C8 C9 H9 118.8 . . ?
C9 C10 C5 119.1(5) . . ?
C9 C10 C13 120.2(5) . . ?
C5 C10 C13 120.7(5) . . ?
C6 C11 H11A 109.5 . . ?
C6 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C6 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C8 C12 H12A 109.5 . . ?
C8 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C8 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 C19 119.1(4) . . ?
C15 C14 N2 120.0(4) . . ?
C19 C14 N2 120.7(4) . . ?
C15 C14 K1 80.4(2) . . ?
C19 C14 K1 91.7(3) . . ?
N2 C14 K1 94.5(2) . . ?
C16 C15 C14 119.3(4) . . ?
C16 C15 C20 119.0(4) . . ?
C14 C15 C20 121.6(4) . . ?
C16 C15 K1 91.3(3) . . ?
C14 C15 K1 74.7(2) . . ?
C20 C15 K1 103.1(3) . . ?
C17 C16 C15 122.4(5) . . ?
C17 C16 H16 118.8 . . ?
C15 C16 H16 118.8 . . ?
C16 C17 C18 117.4(4) . . ?
C16 C17 C21 122.1(5) . . ?
C18 C17 C21 120.4(5) . . ?
C19 C18 C17 122.3(5) . . ?
C19 C18 H18 118.8 . . ?
C17 C18 H18 118.8 . . ?
C18 C19 C14 119.1(4) . . ?
C18 C19 C22 118.8(4) . . ?
C14 C19 C22 122.0(4) . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C17 C21 H21A 109.5 . . ?
C17 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C17 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si2 C23 H23A 109.5 . . ?
Si2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si2 C24 H24A 109.5 . . ?
Si2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si2 C25 H25A 109.5 . . ?
Si2 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si2 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si3 C26 H26A 109.5 . . ?
Si3 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si3 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si3 C27 H27A 109.5 . . ?
Si3 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si3 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si3 C28 H28A 109.5 . . ?
Si3 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si3 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si4 C29 H29A 109.5 . . ?
Si4 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si4 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si4 C30 H30A 109.5 . . ?
Si4 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si4 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si4 C31 H31A 109.5 . . ?
Si4 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si4 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si6 C32 H32A 109.5 . . ?
Si6 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si6 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si6 C33 H33A 109.5 . . ?
Si6 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si6 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si6 C34 H34A 109.5 . . ?
Si6 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
Si6 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si7 C35 H35A 109.5 . . ?
Si7 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
Si7 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si7 C36 H36A 109.5 . . ?
Si7 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
Si7 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si7 C37 H37A 109.5 . . ?
Si7 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
Si7 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si8 C38 H38A 109.5 . . ?
Si8 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si8 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Si8 C39 K1 130.9(3) . 1_565 ?
Si8 C39 H39A 109.5 . . ?
Si8 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
Si8 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si8 C40 H40A 109.5 . . ?
Si8 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si8 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 C46 117.0(8) . . ?
C42 C41 C47 122.0(9) . . ?
C46 C41 C47 120.9(9) . . ?
C41 C42 C43 122.6(9) . . ?
C41 C42 H42 118.7 . . ?
C43 C42 H42 118.7 . . ?
C44 C43 C42 119.0(10) . . ?
C44 C43 H43 120.5 . . ?
C42 C43 H43 120.5 . . ?
C43 C44 C45 120.1(9) . . ?
C43 C44 H44 120.0 . . ?
C45 C44 H44 120.0 . . ?
C46 C45 C44 120.5(9) . . ?
C46 C45 H45 119.7 . . ?
C44 C45 H45 119.7 . . ?
C45 C46 C41 120.8(9) . . ?
C45 C46 H46 119.6 . . ?
C41 C46 H46 119.6 . . ?
C41 C47 H10D 109.5 . . ?
C41 C47 H10E 109.5 . . ?
H10D C47 H10E 109.5 . . ?
C41 C47 H10F 109.5 . . ?
H10D C47 H10F 109.5 . . ?
H10E C47 H10F 109.5 . . ?

_refine_diff_density_max         0.432
_refine_diff_density_min         -0.358
_refine_diff_density_rms         0.059



#============================================================================== 
# END of CIF  
#============================================================================== 
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_CW-373
_database_code_depnum_ccdc_archive 'CCDC 1993877'
loop_
_audit_author_name
_audit_author_address
'Felix Geitner'
;Technische Universitaet Muenchen
Germany
;
_audit_update_record             
;
2020-03-31 deposited with the CCDC.	2021-04-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C41 H86 B Ge9 K N2 O Si8, C7 H8'
_chemical_formula_sum            'C48 H94 B Ge9 K N2 O Si8'
_chemical_formula_weight         1643.19

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'
B B 0.0013 0.0007 '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'
K K 0.2009 0.2494 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.6663(12)
_cell_length_b                   15.4600(16)
_cell_length_c                   18.0618(17)
_cell_angle_alpha                65.417(7)
_cell_angle_beta                 82.365(7)
_cell_angle_gamma                88.648(8)
_cell_volume                     3688.9(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    74903
_cell_measurement_theta_min      2.52
_cell_measurement_theta_max      32.52

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.479
_exptl_crystal_F_000             1656
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    3.830
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.609
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   'STOE X-AREA 1.76'

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Genix 3D HF Mo'
_diffrn_measurement_device_type  'STOE StadiVari'
_diffrn_measurement_method       'ω scans'
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_reflns_number            77184
_diffrn_reflns_av_unetI/netI     0.0599
_diffrn_reflns_av_R_equivalents  0.0878
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.503
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             14484
_reflns_number_gt                9861
_reflns_threshold_expression     'I > 2σ(I)'

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
;

_computing_data_collection       'STOE X-AREA 1.76'
_computing_cell_refinement       'STOE X-AREA 1.76'
_computing_data_reduction        'STOE X-AREA 1.76'
_computing_structure_solution    SHELXS-97
_computing_structure_refinement  SHELXL-2014/7
_computing_molecular_graphics    'DIAMOND 3.2k'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0284P)²+18.5481P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14484
_refine_ls_number_parameters     656
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0915
_refine_ls_R_factor_gt           0.0475
_refine_ls_wR_factor_ref         0.1195
_refine_ls_wR_factor_gt          0.0937
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_restrained_S_all      1.084
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.19769(4) 0.59097(5) 0.37914(4) 0.03573(17) Uani 1 1 d . . . . .
Ge2 Ge 0.12635(5) 0.60179(5) 0.25578(4) 0.03344(16) Uani 1 1 d . . . . .
Ge3 Ge 0.25991(4) 0.70460(5) 0.16097(4) 0.02847(15) Uani 1 1 d . . . . .
Ge4 Ge 0.34796(4) 0.62831(5) 0.28406(4) 0.03322(16) Uani 1 1 d . . . . .
Ge5 Ge 0.29388(5) 0.72913(5) 0.37009(4) 0.03456(16) Uani 1 1 d . . . . .
Ge6 Ge 0.06521(4) 0.70088(5) 0.34363(4) 0.02929(15) Uani 1 1 d . . . . .
Ge7 Ge 0.11614(4) 0.79236(5) 0.18101(4) 0.03075(15) Uani 1 1 d . . . . .
Ge8 Ge 0.32919(4) 0.81925(5) 0.20722(4) 0.02874(15) Uani 1 1 d . . . . .
Ge9 Ge 0.17797(4) 0.83954(5) 0.28534(4) 0.02938(15) Uani 1 1 d . . . . .
Si1 Si 0.31609(11) 0.69442(12) 0.03510(10) 0.0260(3) Uani 1 1 d . . . . .
Si2 Si 0.30919(13) 0.53013(13) 0.06856(12) 0.0397(4) Uani 1 1 d . . . . .
Si3 Si 0.22282(12) 0.78187(14) -0.06532(11) 0.0388(4) Uani 1 1 d . . . . .
Si4 Si 0.46514(11) 0.76233(13) -0.00552(11) 0.0335(4) Uani 1 1 d . . . . .
Si5 Si 0.14238(11) 0.99518(12) 0.27439(10) 0.0264(3) Uani 1 1 d . . . . .
Si6 Si 0.15608(12) 1.09624(12) 0.13324(11) 0.0340(4) Uani 1 1 d . . . . .
Si7 Si 0.24860(12) 1.03322(13) 0.34363(12) 0.0370(4) Uani 1 1 d . . . . .
Si8 Si -0.01012(11) 0.98501(12) 0.33817(10) 0.0309(4) Uani 1 1 d . . . . .
K1 K 0.11548(9) 0.42744(10) 0.68690(8) 0.0359(3) Uani 1 1 d . . . . .
O1 O 0.2383(3) 0.3131(3) 0.6240(2) 0.0282(9) Uani 1 1 d . . . . .
B1 B 0.3066(4) 0.2604(5) 0.6646(4) 0.0235(14) Uani 1 1 d . . . . .
N1 N 0.3212(3) 0.2582(4) 0.7419(3) 0.0299(11) Uani 1 1 d . . . . .
N2 N 0.3717(3) 0.2001(4) 0.6442(3) 0.0288(11) Uani 1 1 d . . . . .
C1 C 0.1822(4) 0.4738(4) 0.4831(4) 0.0337(14) Uani 1 1 d . . . . .
H1A H 0.2118 0.4855 0.5244 0.040 Uiso 1 1 calc R U . . .
H1B H 0.1157 0.4615 0.5036 0.040 Uiso 1 1 calc R U . . .
C2 C 0.2217(4) 0.3848(4) 0.4770(3) 0.0299(13) Uani 1 1 d . . . . .
H2A H 0.2888 0.3955 0.4589 0.036 Uiso 1 1 calc R U . . .
H2B H 0.1938 0.3736 0.4347 0.036 Uiso 1 1 calc R U . . .
C3 C 0.2051(4) 0.2962(4) 0.5579(3) 0.0277(13) Uani 1 1 d . . . . .
H3A H 0.1385 0.2791 0.5722 0.033 Uiso 1 1 calc R U . . .
H3B H 0.2376 0.2422 0.5517 0.033 Uiso 1 1 calc R U . . .
C4 C 0.3933(4) 0.1913(5) 0.7765(4) 0.0452(18) Uani 1 1 d . . . . .
H4A H 0.3670 0.1360 0.8268 0.054 Uiso 1 1 calc R U . . .
H4B H 0.4420 0.2230 0.7905 0.054 Uiso 1 1 calc R U . . .
C5 C 0.4319(5) 0.1601(6) 0.7095(4) 0.0454(18) Uani 1 1 d . . . . .
H5A H 0.4961 0.1847 0.6877 0.054 Uiso 1 1 calc R U . . .
H5B H 0.4311 0.0898 0.7313 0.054 Uiso 1 1 calc R U . . .
C6 C 0.2683(4) 0.3040(4) 0.7870(3) 0.0272(13) Uani 1 1 d . . . . .
C7 C 0.2961(4) 0.3946(4) 0.7767(3) 0.0280(13) Uani 1 1 d . . . . .
C8 C 0.2416(4) 0.4401(4) 0.8186(4) 0.0331(14) Uani 1 1 d . . . . .
H8 H 0.2624 0.5040 0.8127 0.040 Uiso 1 1 calc R U . . .
C9 C 0.1606(4) 0.3978(4) 0.8698(4) 0.0331(14) Uani 1 1 d . . . . .
C10 C 0.1349(4) 0.3075(4) 0.8796(3) 0.0305(14) Uani 1 1 d . . . . .
H10 H 0.0790 0.2743 0.9190 0.037 Uiso 1 1 calc R U . . .
C11 C 0.1887(4) 0.2591(4) 0.8394(3) 0.0294(13) Uani 1 1 d . . . . .
C12 C 0.3817(4) 0.4444(5) 0.7190(4) 0.0453(17) Uani 1 1 d . . . . .
H12A H 0.3685 0.4697 0.6621 0.068 Uiso 1 1 calc R U . . .
H12B H 0.4311 0.3990 0.7262 0.068 Uiso 1 1 calc R U . . .
H12C H 0.4009 0.4968 0.7312 0.068 Uiso 1 1 calc R U . . .
C13 C 0.1014(5) 0.4484(5) 0.9149(4) 0.0477(18) Uani 1 1 d . . . . .
H13A H 0.1289 0.5116 0.9000 0.072 Uiso 1 1 calc R U . . .
H13B H 0.0982 0.4110 0.9744 0.072 Uiso 1 1 calc R U . . .
H13C H 0.0393 0.4549 0.8994 0.072 Uiso 1 1 calc R U . . .
C14 C 0.1590(5) 0.1613(5) 0.8509(4) 0.0394(16) Uani 1 1 d . . . . .
H14A H 0.1752 0.1546 0.7992 0.059 Uiso 1 1 calc R U . . .
H14B H 0.0922 0.1524 0.8672 0.059 Uiso 1 1 calc R U . . .
H14C H 0.1901 0.1132 0.8938 0.059 Uiso 1 1 calc R U . . .
C15 C 0.4078(4) 0.2055(4) 0.5645(3) 0.0271(13) Uani 1 1 d . . . . .
C16 C 0.4035(4) 0.1263(5) 0.5467(4) 0.0307(14) Uani 1 1 d . . . . .
C17 C 0.4379(4) 0.1342(5) 0.4686(4) 0.0350(15) Uani 1 1 d . . . . .
H17 H 0.4362 0.0795 0.4574 0.042 Uiso 1 1 calc R U . . .
C18 C 0.4747(4) 0.2195(5) 0.4062(4) 0.0393(16) Uani 1 1 d . . . . .
C19 C 0.4793(4) 0.2970(5) 0.4254(4) 0.0374(15) Uani 1 1 d . . . . .
H19 H 0.5042 0.3561 0.3839 0.045 Uiso 1 1 calc R U . . .
C20 C 0.4482(4) 0.2910(4) 0.5043(4) 0.0326(14) Uani 1 1 d . . . . .
C21 C 0.3615(5) 0.0329(5) 0.6113(4) 0.0428(16) Uani 1 1 d . . . . .
H21A H 0.3383 -0.0042 0.5846 0.064 Uiso 1 1 calc R U . . .
H21B H 0.3106 0.0452 0.6463 0.064 Uiso 1 1 calc R U . . .
H21C H 0.4084 -0.0028 0.6449 0.064 Uiso 1 1 calc R U . . .
C22 C 0.5077(5) 0.2283(6) 0.3202(4) 0.052(2) Uani 1 1 d . . . . .
H11A H 0.5300 0.2938 0.2851 0.078 Uiso 1 1 calc R U . . .
H11B H 0.4567 0.2121 0.2978 0.078 Uiso 1 1 calc R U . . .
H11C H 0.5578 0.1847 0.3221 0.078 Uiso 1 1 calc R U . . .
C23 C 0.4621(5) 0.3767(5) 0.5228(4) 0.0430(17) Uani 1 1 d . . . . .
H23A H 0.4993 0.3591 0.5679 0.064 Uiso 1 1 calc R U . . .
H23B H 0.4021 0.3977 0.5388 0.064 Uiso 1 1 calc R U . . .
H23C H 0.4939 0.4284 0.4738 0.064 Uiso 1 1 calc R U . . .
C24 C 0.3537(6) 0.5063(6) -0.0233(5) 0.060(2) Uani 1 1 d . . . . .
H24A H 0.3223 0.5464 -0.0699 0.090 Uiso 1 1 calc R U . . .
H24B H 0.3420 0.4392 -0.0105 0.090 Uiso 1 1 calc R U . . .
H24C H 0.4201 0.5211 -0.0373 0.090 Uiso 1 1 calc R U . . .
C25 C 0.1869(5) 0.4836(5) 0.1030(5) 0.058(2) Uani 1 1 d . . . . .
H25A H 0.1515 0.5111 0.0566 0.087 Uiso 1 1 calc R U . . .
H25B H 0.1600 0.5012 0.1472 0.087 Uiso 1 1 calc R U . . .
H25C H 0.1853 0.4141 0.1232 0.087 Uiso 1 1 calc R U . . .
C26 C 0.3765(6) 0.4631(5) 0.1556(5) 0.061(2) Uani 1 1 d . . . . .
H26A H 0.4417 0.4829 0.1383 0.092 Uiso 1 1 calc R U . . .
H26B H 0.3695 0.3947 0.1710 0.092 Uiso 1 1 calc R U . . .
H26C H 0.3534 0.4769 0.2029 0.092 Uiso 1 1 calc R U . . .
C27 C 0.2068(6) 0.9030(5) -0.0680(6) 0.070(3) Uani 1 1 d . . . . .
H27A H 0.2670 0.9355 -0.0794 0.104 Uiso 1 1 calc R U . . .
H27B H 0.1754 0.8976 -0.0148 0.104 Uiso 1 1 calc R U . . .
H27C H 0.1695 0.9397 -0.1112 0.104 Uiso 1 1 calc R U . . .
C28 C 0.2763(7) 0.7937(9) -0.1689(5) 0.102(4) Uani 1 1 d . . . . .
H28A H 0.2332 0.8236 -0.2088 0.153 Uiso 1 1 calc R U . . .
H28B H 0.2908 0.7305 -0.1667 0.153 Uiso 1 1 calc R U . . .
H28C H 0.3330 0.8333 -0.1857 0.153 Uiso 1 1 calc R U . . .
C29 C 0.1089(6) 0.7209(7) -0.0430(7) 0.081(3) Uani 1 1 d . . . . .
H29A H 0.0679 0.7625 -0.0805 0.122 Uiso 1 1 calc R U . . .
H29B H 0.0824 0.7062 0.0139 0.122 Uiso 1 1 calc R U . . .
H29C H 0.1159 0.6617 -0.0505 0.122 Uiso 1 1 calc R U . . .
C30 C 0.5195(5) 0.7443(6) -0.0980(4) 0.0516(19) Uani 1 1 d . . . . .
H30A H 0.4867 0.7805 -0.1448 0.077 Uiso 1 1 calc R U . . .
H30B H 0.5160 0.6765 -0.0862 0.077 Uiso 1 1 calc R U . . .
H30C H 0.5841 0.7666 -0.1112 0.077 Uiso 1 1 calc R U . . .
C31 C 0.4603(5) 0.8928(5) -0.0312(5) 0.057(2) Uani 1 1 d . . . . .
H31A H 0.4352 0.9256 -0.0831 0.085 Uiso 1 1 calc R U . . .
H31B H 0.5225 0.9185 -0.0366 0.085 Uiso 1 1 calc R U . . .
H31C H 0.4208 0.9025 0.0128 0.085 Uiso 1 1 calc R U . . .
C32 C 0.5366(4) 0.7031(6) 0.0787(4) 0.0478(19) Uani 1 1 d . . . . .
H32A H 0.5395 0.6352 0.0911 0.072 Uiso 1 1 calc R U . . .
H32B H 0.5090 0.7109 0.1279 0.072 Uiso 1 1 calc R U . . .
H32C H 0.5989 0.7321 0.0615 0.072 Uiso 1 1 calc R U . . .
C33 C 0.0583(5) 1.0716(5) 0.0878(4) 0.0437(17) Uani 1 1 d . . . . .
H33A H 0.0647 1.1134 0.0290 0.066 Uiso 1 1 calc R U . . .
H33B H 0.0002 1.0834 0.1151 0.066 Uiso 1 1 calc R U . . .
H33C H 0.0588 1.0050 0.0954 0.066 Uiso 1 1 calc R U . . .
C34 C 0.2652(5) 1.0778(6) 0.0764(4) 0.058(2) Uani 1 1 d . . . . .
H34A H 0.2642 1.0133 0.0789 0.087 Uiso 1 1 calc R U . . .
H34B H 0.3176 1.0861 0.1016 0.087 Uiso 1 1 calc R U . . .
H34C H 0.2712 1.1243 0.0189 0.087 Uiso 1 1 calc R U . . .
C35 C 0.1550(7) 1.2234(5) 0.1186(5) 0.067(2) Uani 1 1 d . . . . .
H35A H 0.1601 1.2652 0.0599 0.100 Uiso 1 1 calc R U . . .
H35B H 0.2070 1.2369 0.1416 0.100 Uiso 1 1 calc R U . . .
H35C H 0.0973 1.2348 0.1469 0.100 Uiso 1 1 calc R U . . .
C36 C 0.3685(5) 1.0208(6) 0.2997(5) 0.0524(19) Uani 1 1 d . . . . .
H36A H 0.3786 1.0629 0.2409 0.079 Uiso 1 1 calc R U . . .
H36B H 0.3770 0.9547 0.3072 0.079 Uiso 1 1 calc R U . . .
H36C H 0.4126 1.0381 0.3279 0.079 Uiso 1 1 calc R U . . .
C37 C 0.2348(6) 1.1571(6) 0.3355(6) 0.064(2) Uani 1 1 d . . . . .
H37A H 0.2536 1.2026 0.2785 0.097 Uiso 1 1 calc R U . . .
H37B H 0.2733 1.1678 0.3715 0.097 Uiso 1 1 calc R U . . .
H37C H 0.1702 1.1660 0.3522 0.097 Uiso 1 1 calc R U . . .
C38 C 0.2326(6) 0.9491(6) 0.4552(5) 0.064(2) Uani 1 1 d . . . . .
H38A H 0.2245 0.8839 0.4607 0.096 Uiso 1 1 calc R U . . .
H38B H 0.1781 0.9659 0.4835 0.096 Uiso 1 1 calc R U . . .
H38C H 0.2870 0.9536 0.4799 0.096 Uiso 1 1 calc R U . . .
C39 C -0.0503(6) 1.1053(5) 0.3267(5) 0.056(2) Uani 1 1 d . . . . .
H39A H -0.0477 1.1476 0.2682 0.084 Uiso 1 1 calc R U . . .
H39B H -0.0105 1.1319 0.3521 0.084 Uiso 1 1 calc R U . . .
H39C H -0.1138 1.0994 0.3537 0.084 Uiso 1 1 calc R U . . .
C40 C -0.0205(5) 0.9023(5) 0.4494(4) 0.0480(18) Uani 1 1 d . . . . .
H40A H 0.0055 0.8411 0.4553 0.072 Uiso 1 1 calc R U . . .
H40B H -0.0855 0.8924 0.4731 0.072 Uiso 1 1 calc R U . . .
H40C H 0.0132 0.9299 0.4782 0.072 Uiso 1 1 calc R U . . .
C41 C -0.0877(4) 0.9367(5) 0.2893(4) 0.0429(17) Uani 1 1 d . . . . .
H41A H -0.0886 0.9818 0.2320 0.064 Uiso 1 1 calc R U . . .
H41B H -0.1502 0.9270 0.3192 0.064 Uiso 1 1 calc R U . . .
H41C H -0.0652 0.8757 0.2911 0.064 Uiso 1 1 calc R U . . .
C42 C 0.1696(5) 0.6715(5) 0.6375(5) 0.0503(19) Uani 1 1 d . . . . .
C43 C 0.1167(5) 0.6571(5) 0.7118(4) 0.0492(18) Uani 1 1 d . . . . .
H43 H 0.1456 0.6607 0.7545 0.059 Uiso 1 1 calc R U . . .
C44 C 0.0243(6) 0.6380(5) 0.7246(5) 0.056(2) Uani 1 1 d . . . . .
H44 H -0.0099 0.6276 0.7762 0.067 Uiso 1 1 calc R U . . .
C45 C -0.0195(6) 0.6337(5) 0.6646(6) 0.060(2) Uani 1 1 d . . . . .
H45 H -0.0843 0.6224 0.6736 0.072 Uiso 1 1 calc R U . . .
C46 C 0.0297(6) 0.6458(6) 0.5912(5) 0.059(2) Uani 1 1 d . . . . .
H46 H -0.0009 0.6411 0.5497 0.071 Uiso 1 1 calc R U . . .
C47 C 0.1233(6) 0.6645(6) 0.5765(5) 0.060(2) Uani 1 1 d . . . . .
H47 H 0.1567 0.6728 0.5251 0.072 Uiso 1 1 calc R U . . .
C48 C 0.2709(6) 0.6952(8) 0.6233(7) 0.101(4) Uani 1 1 d . . . . .
H48A H 0.3033 0.6619 0.5923 0.151 Uiso 1 1 calc R U . . .
H48B H 0.2938 0.6750 0.6764 0.151 Uiso 1 1 calc R U . . .
H48C H 0.2816 0.7640 0.5921 0.151 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Ge1 C1 1.984(6) . ?
Ge1 Ge6 2.5185(10) . ?
Ge1 Ge5 2.5237(10) . ?
Ge1 Ge4 2.5237(9) . ?
Ge1 Ge2 2.5275(10) . ?
Ge2 Ge3 2.5074(9) . ?
Ge2 Ge6 2.6922(10) . ?
Ge2 Ge7 2.6923(10) . ?
Ge2 K1 3.5450(15) 2_566 ?
Ge3 Si1 2.3803(17) . ?
Ge3 Ge8 2.5326(9) . ?
Ge3 Ge7 2.5473(9) . ?
Ge3 Ge4 2.5516(9) . ?
Ge4 Ge5 2.6650(10) . ?
Ge4 Ge8 2.7149(10) . ?
Ge5 Ge9 2.5547(10) . ?
Ge5 Ge8 2.6612(9) . ?
Ge6 Ge9 2.5031(9) . ?
Ge6 Ge7 2.6825(9) . ?
Ge6 K1 3.5791(15) 2_566 ?
Ge7 Ge9 2.5563(9) . ?
Ge8 Ge9 2.5518(9) . ?
Ge9 Si5 2.3820(18) . ?
Si1 Si4 2.337(2) . ?
Si1 Si3 2.350(2) . ?
Si1 Si2 2.355(2) . ?
Si2 C25 1.874(8) . ?
Si2 C24 1.876(7) . ?
Si2 C26 1.878(8) . ?
Si3 C29 1.850(8) . ?
Si3 C27 1.864(8) . ?
Si3 C28 1.866(9) . ?
Si4 C32 1.863(7) . ?
Si4 C31 1.874(7) . ?
Si4 C30 1.877(7) . ?
Si5 Si7 2.347(2) . ?
Si5 Si8 2.353(2) . ?
Si5 Si6 2.355(2) . ?
Si6 C33 1.864(7) . ?
Si6 C34 1.866(8) . ?
Si6 C35 1.872(8) . ?
Si7 C37 1.867(8) . ?
Si7 C36 1.871(7) . ?
Si7 C38 1.875(8) . ?
Si8 C40 1.867(7) . ?
Si8 C41 1.868(7) . ?
Si8 C39 1.874(7) . ?
K1 O1 2.939(4) . ?
K1 C6 3.153(6) . ?
K1 C11 3.195(6) . ?
K1 C7 3.209(6) . ?
K1 C10 3.241(6) . ?
K1 C8 3.270(6) . ?
K1 C9 3.297(6) . ?
K1 C47 3.362(8) . ?
K1 C46 3.389(8) . ?
K1 C1 3.450(6) . ?
K1 Ge2 3.5449(15) 2_566 ?
K1 Ge6 3.5790(15) 2_566 ?
O1 B1 1.366(7) . ?
O1 C3 1.466(7) . ?
B1 N1 1.426(8) . ?
B1 N2 1.438(8) . ?
N1 C6 1.433(7) . ?
N1 C4 1.471(8) . ?
N2 C15 1.435(7) . ?
N2 C5 1.482(7) . ?
C1 C2 1.520(8) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.525(8) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.520(9) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C11 1.392(8) . ?
C6 C7 1.398(8) . ?
C7 C8 1.400(8) . ?
C7 C12 1.511(8) . ?
C8 C9 1.392(8) . ?
C8 H8 1.0000 . ?
C9 C10 1.388(8) . ?
C9 C13 1.529(9) . ?
C10 C11 1.408(8) . ?
C10 H10 1.0000 . ?
C11 C14 1.505(8) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.396(8) . ?
C15 C20 1.396(8) . ?
C16 C17 1.388(8) . ?
C16 C21 1.508(9) . ?
C17 C18 1.392(9) . ?
C17 H17 0.9500 . ?
C18 C19 1.384(9) . ?
C18 C22 1.514(9) . ?
C19 C20 1.402(8) . ?
C19 H19 0.9500 . ?
C20 C23 1.520(9) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H11A 0.9800 . ?
C22 H11B 0.9800 . ?
C22 H11C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C43 1.392(10) . ?
C42 C47 1.411(11) . ?
C42 C48 1.500(11) . ?
C43 C44 1.363(11) . ?
C43 H43 0.9500 . ?
C44 C45 1.356(11) . ?
C44 H44 0.9500 . ?
C45 C46 1.364(11) . ?
C45 H45 0.9500 . ?
C46 C47 1.376(11) . ?
C46 H46 0.9500 . ?
C47 H47 0.9500 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?

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
C1 Ge1 Ge6 119.02(18) . . ?
C1 Ge1 Ge5 118.90(19) . . ?
Ge6 Ge1 Ge5 88.30(3) . . ?
C1 Ge1 Ge4 120.22(18) . . ?
Ge6 Ge1 Ge4 120.76(3) . . ?
Ge5 Ge1 Ge4 63.74(3) . . ?
C1 Ge1 Ge2 121.10(19) . . ?
Ge6 Ge1 Ge2 64.49(3) . . ?
Ge5 Ge1 Ge2 119.98(3) . . ?
Ge4 Ge1 Ge2 85.11(3) . . ?
Ge3 Ge2 Ge1 90.60(3) . . ?
Ge3 Ge2 Ge6 102.20(3) . . ?
Ge1 Ge2 Ge6 57.59(3) . . ?
Ge3 Ge2 Ge7 58.54(3) . . ?
Ge1 Ge2 Ge7 98.39(3) . . ?
Ge6 Ge2 Ge7 59.76(3) . . ?
Ge3 Ge2 K1 147.66(4) . 2_566 ?
Ge1 Ge2 K1 107.69(3) . 2_566 ?
Ge6 Ge2 K1 68.47(3) . 2_566 ?
Ge7 Ge2 K1 91.83(3) . 2_566 ?
Si1 Ge3 Ge2 121.41(5) . . ?
Si1 Ge3 Ge8 122.70(5) . . ?
Ge2 Ge3 Ge8 115.89(3) . . ?
Si1 Ge3 Ge7 123.76(5) . . ?
Ge2 Ge3 Ge7 64.36(3) . . ?
Ge8 Ge3 Ge7 80.52(3) . . ?
Si1 Ge3 Ge4 119.70(5) . . ?
Ge2 Ge3 Ge4 84.95(3) . . ?
Ge8 Ge3 Ge4 64.55(3) . . ?
Ge7 Ge3 Ge4 116.52(3) . . ?
Ge1 Ge4 Ge3 89.68(3) . . ?
Ge1 Ge4 Ge5 58.13(3) . . ?
Ge3 Ge4 Ge5 101.65(3) . . ?
Ge1 Ge4 Ge8 97.08(3) . . ?
Ge3 Ge4 Ge8 57.39(2) . . ?
Ge5 Ge4 Ge8 59.29(3) . . ?
Ge1 Ge5 Ge9 87.72(3) . . ?
Ge1 Ge5 Ge8 98.47(3) . . ?
Ge9 Ge5 Ge8 58.54(3) . . ?
Ge1 Ge5 Ge4 58.13(3) . . ?
Ge9 Ge5 Ge4 102.36(3) . . ?
Ge8 Ge5 Ge4 61.29(3) . . ?
Ge9 Ge6 Ge1 88.97(3) . . ?
Ge9 Ge6 Ge7 58.95(3) . . ?
Ge1 Ge6 Ge7 98.87(3) . . ?
Ge9 Ge6 Ge2 101.67(3) . . ?
Ge1 Ge6 Ge2 57.92(3) . . ?
Ge7 Ge6 Ge2 60.12(2) . . ?
Ge9 Ge6 K1 148.52(4) . 2_566 ?
Ge1 Ge6 K1 106.93(4) . 2_566 ?
Ge7 Ge6 K1 91.25(3) . 2_566 ?
Ge2 Ge6 K1 67.13(3) . 2_566 ?
Ge3 Ge7 Ge9 93.89(3) . . ?
Ge3 Ge7 Ge6 101.41(3) . . ?
Ge9 Ge7 Ge6 57.02(2) . . ?
Ge3 Ge7 Ge2 57.10(3) . . ?
Ge9 Ge7 Ge2 100.28(3) . . ?
Ge6 Ge7 Ge2 60.12(3) . . ?
Ge3 Ge8 Ge9 94.35(3) . . ?
Ge3 Ge8 Ge5 102.26(3) . . ?
Ge9 Ge8 Ge5 58.65(3) . . ?
Ge3 Ge8 Ge4 58.06(3) . . ?
Ge9 Ge8 Ge4 101.08(3) . . ?
Ge5 Ge8 Ge4 59.42(3) . . ?
Si5 Ge9 Ge6 124.41(5) . . ?
Si5 Ge9 Ge8 117.97(5) . . ?
Ge6 Ge9 Ge8 116.39(3) . . ?
Si5 Ge9 Ge5 126.95(5) . . ?
Ge6 Ge9 Ge5 87.95(3) . . ?
Ge8 Ge9 Ge5 62.82(3) . . ?
Si5 Ge9 Ge7 115.52(5) . . ?
Ge6 Ge9 Ge7 64.03(3) . . ?
Ge8 Ge9 Ge7 79.99(3) . . ?
Ge5 Ge9 Ge7 116.46(3) . . ?
Si4 Si1 Si3 109.17(9) . . ?
Si4 Si1 Si2 114.02(9) . . ?
Si3 Si1 Si2 112.77(9) . . ?
Si4 Si1 Ge3 107.05(8) . . ?
Si3 Si1 Ge3 109.53(8) . . ?
Si2 Si1 Ge3 103.96(8) . . ?
C25 Si2 C24 107.9(4) . . ?
C25 Si2 C26 107.4(4) . . ?
C24 Si2 C26 110.1(4) . . ?
C25 Si2 Si1 109.9(3) . . ?
C24 Si2 Si1 110.7(3) . . ?
C26 Si2 Si1 110.7(3) . . ?
C29 Si3 C27 109.1(4) . . ?
C29 Si3 C28 107.6(5) . . ?
C27 Si3 C28 108.9(5) . . ?
C29 Si3 Si1 110.5(3) . . ?
C27 Si3 Si1 110.0(3) . . ?
C28 Si3 Si1 110.7(3) . . ?
C32 Si4 C31 110.1(4) . . ?
C32 Si4 C30 108.1(3) . . ?
C31 Si4 C30 109.7(4) . . ?
C32 Si4 Si1 109.8(2) . . ?
C31 Si4 Si1 109.5(2) . . ?
C30 Si4 Si1 109.6(2) . . ?
Si7 Si5 Si8 112.42(9) . . ?
Si7 Si5 Si6 113.47(9) . . ?
Si8 Si5 Si6 111.29(9) . . ?
Si7 Si5 Ge9 105.68(8) . . ?
Si8 Si5 Ge9 106.39(8) . . ?
Si6 Si5 Ge9 107.02(8) . . ?
C33 Si6 C34 107.9(3) . . ?
C33 Si6 C35 109.3(4) . . ?
C34 Si6 C35 108.4(4) . . ?
C33 Si6 Si5 109.8(2) . . ?
C34 Si6 Si5 111.6(2) . . ?
C35 Si6 Si5 109.8(3) . . ?
C37 Si7 C36 109.4(4) . . ?
C37 Si7 C38 108.4(4) . . ?
C36 Si7 C38 107.4(4) . . ?
C37 Si7 Si5 111.3(3) . . ?
C36 Si7 Si5 109.8(2) . . ?
C38 Si7 Si5 110.4(2) . . ?
C40 Si8 C41 107.5(3) . . ?
C40 Si8 C39 109.8(3) . . ?
C41 Si8 C39 108.2(4) . . ?
C40 Si8 Si5 110.8(2) . . ?
C41 Si8 Si5 109.7(2) . . ?
C39 Si8 Si5 110.8(3) . . ?
O1 K1 C6 58.45(13) . . ?
O1 K1 C11 71.68(13) . . ?
C6 K1 C11 25.33(14) . . ?
O1 K1 C7 73.18(13) . . ?
C6 K1 C7 25.36(15) . . ?
C11 K1 C7 44.43(15) . . ?
O1 K1 C10 96.94(14) . . ?
C6 K1 C10 44.36(15) . . ?
C11 K1 C10 25.27(15) . . ?
C7 K1 C10 51.18(15) . . ?
O1 K1 C8 98.00(14) . . ?
C6 K1 C8 44.02(16) . . ?
C11 K1 C8 50.90(15) . . ?
C7 K1 C8 24.94(15) . . ?
C10 K1 C8 42.94(15) . . ?
O1 K1 C9 110.06(14) . . ?
C6 K1 C9 51.64(15) . . ?
C11 K1 C9 44.11(15) . . ?
C7 K1 C9 44.05(15) . . ?
C10 K1 C9 24.49(15) . . ?
C8 K1 C9 24.47(15) . . ?
O1 K1 C47 117.85(16) . . ?
C6 K1 C47 127.0(2) . . ?
C11 K1 C47 144.18(19) . . ?
C7 K1 C47 102.57(19) . . ?
C10 K1 C47 129.05(18) . . ?
C8 K1 C47 93.38(19) . . ?
C9 K1 C47 104.87(18) . . ?
O1 K1 C46 131.65(17) . . ?
C6 K1 C46 147.96(18) . . ?
C11 K1 C46 153.66(19) . . ?
C7 K1 C46 122.60(18) . . ?
C10 K1 C46 129.47(19) . . ?
C8 K1 C46 107.12(18) . . ?
C9 K1 C46 109.65(19) . . ?
C47 K1 C46 23.52(19) . . ?
O1 K1 C1 53.65(13) . . ?
C6 K1 C1 107.30(15) . . ?
C11 K1 C1 125.21(15) . . ?
C7 K1 C1 108.59(15) . . ?
C10 K1 C1 150.28(15) . . ?
C8 K1 C1 128.06(15) . . ?
C9 K1 C1 152.06(16) . . ?
C47 K1 C1 71.69(17) . . ?
C46 K1 C1 78.59(18) . . ?
O1 K1 Ge2 127.91(9) . 2_566 ?
C6 K1 Ge2 127.38(11) . 2_566 ?
C11 K1 Ge2 102.05(11) . 2_566 ?
C7 K1 Ge2 137.57(11) . 2_566 ?
C10 K1 Ge2 87.35(11) . 2_566 ?
C8 K1 Ge2 118.06(11) . 2_566 ?
C9 K1 Ge2 94.77(12) . 2_566 ?
C47 K1 Ge2 97.35(16) . 2_566 ?
C46 K1 Ge2 74.07(15) . 2_566 ?
C1 K1 Ge2 113.15(11) . 2_566 ?
O1 K1 Ge6 84.56(8) . 2_566 ?
C6 K1 Ge6 116.26(12) . 2_566 ?
C11 K1 Ge6 99.14(11) . 2_566 ?
C7 K1 Ge6 141.49(12) . 2_566 ?
C10 K1 Ge6 102.88(11) . 2_566 ?
C8 K1 Ge6 145.82(11) . 2_566 ?
C9 K1 Ge6 123.44(12) . 2_566 ?
C47 K1 Ge6 115.65(16) . 2_566 ?
C46 K1 Ge6 95.72(14) . 2_566 ?
C1 K1 Ge6 80.58(11) . 2_566 ?
Ge2 K1 Ge6 44.41(2) 2_566 2_566 ?
B1 O1 C3 120.9(5) . . ?
B1 O1 K1 123.3(3) . . ?
C3 O1 K1 113.8(3) . . ?
O1 B1 N1 120.4(5) . . ?
O1 B1 N2 131.1(5) . . ?
N1 B1 N2 108.6(5) . . ?
B1 N1 C6 127.0(5) . . ?
B1 N1 C4 110.5(5) . . ?
C6 N1 C4 122.1(5) . . ?
C15 N2 B1 128.5(5) . . ?
C15 N2 C5 116.9(5) . . ?
B1 N2 C5 109.0(5) . . ?
C2 C1 Ge1 115.4(4) . . ?
C2 C1 K1 109.3(3) . . ?
Ge1 C1 K1 134.4(3) . . ?
C2 C1 H1A 108.4 . . ?
Ge1 C1 H1A 108.4 . . ?
K1 C1 H1A 46.5 . . ?
C2 C1 H1B 108.4 . . ?
Ge1 C1 H1B 108.4 . . ?
K1 C1 H1B 63.1 . . ?
H1A C1 H1B 107.5 . . ?
C1 C2 C3 113.3(5) . . ?
C1 C2 H2A 108.9 . . ?
C3 C2 H2A 108.9 . . ?
C1 C2 H2B 108.9 . . ?
C3 C2 H2B 108.9 . . ?
H2A C2 H2B 107.7 . . ?
O1 C3 C2 110.5(5) . . ?
O1 C3 H3A 109.5 . . ?
C2 C3 H3A 109.5 . . ?
O1 C3 H3B 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 108.1 . . ?
N1 C4 C5 105.2(5) . . ?
N1 C4 H4A 110.7 . . ?
C5 C4 H4A 110.7 . . ?
N1 C4 H4B 110.7 . . ?
C5 C4 H4B 110.7 . . ?
H4A C4 H4B 108.8 . . ?
N2 C5 C4 106.2(5) . . ?
N2 C5 H5A 110.5 . . ?
C4 C5 H5A 110.5 . . ?
N2 C5 H5B 110.5 . . ?
C4 C5 H5B 110.5 . . ?
H5A C5 H5B 108.7 . . ?
C11 C6 C7 120.4(5) . . ?
C11 C6 N1 120.0(5) . . ?
C7 C6 N1 119.6(5) . . ?
C11 C6 K1 79.0(3) . . ?
C7 C6 K1 79.6(3) . . ?
N1 C6 K1 110.8(3) . . ?
C6 C7 C8 118.9(5) . . ?
C6 C7 C12 120.7(6) . . ?
C8 C7 C12 120.4(6) . . ?
C6 C7 K1 75.1(3) . . ?
C8 C7 K1 80.0(3) . . ?
C12 C7 K1 113.3(4) . . ?
C9 C8 C7 121.9(6) . . ?
C9 C8 K1 78.8(3) . . ?
C7 C8 K1 75.1(3) . . ?
C9 C8 H8 119.0 . . ?
C7 C8 H8 119.0 . . ?
K1 C8 H8 119.0 . . ?
C10 C9 C8 118.1(6) . . ?
C10 C9 C13 120.5(6) . . ?
C8 C9 C13 121.4(6) . . ?
C10 C9 K1 75.5(3) . . ?
C8 C9 K1 76.7(3) . . ?
C13 C9 K1 118.3(4) . . ?
C9 C10 C11 121.5(5) . . ?
C9 C10 K1 80.0(3) . . ?
C11 C10 K1 75.5(3) . . ?
C9 C10 H10 119.2 . . ?
C11 C10 H10 119.2 . . ?
K1 C10 H10 119.2 . . ?
C6 C11 C10 119.2(5) . . ?
C6 C11 C14 120.4(5) . . ?
C10 C11 C14 120.4(5) . . ?
C6 C11 K1 75.7(3) . . ?
C10 C11 K1 79.2(3) . . ?
C14 C11 K1 113.8(4) . . ?
C7 C12 H12A 109.5 . . ?
C7 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C7 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C9 C13 H13A 109.5 . . ?
C9 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C9 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C20 119.6(5) . . ?
C16 C15 N2 120.8(5) . . ?
C20 C15 N2 119.6(5) . . ?
C17 C16 C15 119.4(6) . . ?
C17 C16 C21 120.2(6) . . ?
C15 C16 C21 120.4(5) . . ?
C16 C17 C18 122.3(6) . . ?
C16 C17 H17 118.8 . . ?
C18 C17 H17 118.8 . . ?
C19 C18 C17 117.4(6) . . ?
C19 C18 C22 120.9(6) . . ?
C17 C18 C22 121.7(6) . . ?
C18 C19 C20 122.0(6) . . ?
C18 C19 H19 119.0 . . ?
C20 C19 H19 119.0 . . ?
C15 C20 C19 119.2(6) . . ?
C15 C20 C23 121.6(6) . . ?
C19 C20 C23 119.1(6) . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C18 C22 H11A 109.5 . . ?
C18 C22 H11B 109.5 . . ?
H11A C22 H11B 109.5 . . ?
C18 C22 H11C 109.5 . . ?
H11A C22 H11C 109.5 . . ?
H11B C22 H11C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si2 C24 H24A 109.5 . . ?
Si2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si2 C25 H25A 109.5 . . ?
Si2 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si2 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si2 C26 H26A 109.5 . . ?
Si2 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si2 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si3 C27 H27A 109.5 . . ?
Si3 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si3 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si3 C28 H28A 109.5 . . ?
Si3 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si3 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si3 C29 H29A 109.5 . . ?
Si3 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si3 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si4 C30 H30A 109.5 . . ?
Si4 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si4 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si4 C31 H31A 109.5 . . ?
Si4 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si4 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si4 C32 H32A 109.5 . . ?
Si4 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si4 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si6 C33 H33A 109.5 . . ?
Si6 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si6 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si6 C34 H34A 109.5 . . ?
Si6 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
Si6 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si6 C35 H35A 109.5 . . ?
Si6 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
Si6 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si7 C36 H36A 109.5 . . ?
Si7 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
Si7 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si7 C37 H37A 109.5 . . ?
Si7 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
Si7 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si7 C38 H38A 109.5 . . ?
Si7 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si7 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Si8 C39 H39A 109.5 . . ?
Si8 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
Si8 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si8 C40 H40A 109.5 . . ?
Si8 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si8 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si8 C41 H41A 109.5 . . ?
Si8 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si8 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C43 C42 C47 116.9(7) . . ?
C43 C42 C48 120.9(8) . . ?
C47 C42 C48 122.2(8) . . ?
C44 C43 C42 121.4(7) . . ?
C44 C43 H43 119.3 . . ?
C42 C43 H43 119.3 . . ?
C45 C44 C43 120.9(8) . . ?
C45 C44 H44 119.6 . . ?
C43 C44 H44 119.6 . . ?
C44 C45 C46 119.8(8) . . ?
C44 C45 H45 120.1 . . ?
C46 C45 H45 120.1 . . ?
C45 C46 C47 120.8(8) . . ?
C45 C46 K1 88.5(5) . . ?
C47 C46 K1 77.1(5) . . ?
C45 C46 H46 119.6 . . ?
C47 C46 H46 119.6 . . ?
K1 C46 H46 104.6 . . ?
C46 C47 C42 120.2(7) . . ?
C46 C47 K1 79.3(5) . . ?
C42 C47 K1 87.1(4) . . ?
C46 C47 H47 119.9 . . ?
C42 C47 H47 119.9 . . ?
K1 C47 H47 103.6 . . ?
C42 C48 H48A 109.5 . . ?
C42 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C42 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?

_refine_diff_density_max         0.805
_refine_diff_density_min         -0.885
_refine_diff_density_rms         0.143



#============================================================================== 
# END of CIF  
#============================================================================== 
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_FSG-1167
_database_code_depnum_ccdc_archive 'CCDC 1993876'
loop_
_audit_author_name
_audit_author_address
'Felix Geitner'
;Technische Universitaet Muenchen
Germany
;
_audit_update_record             
;
2020-03-31 deposited with the CCDC.	2021-04-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C48 H98 B Ge9 K N2 O Si8, 2(C7 H8)'
_chemical_formula_sum            'C62 H114 B Ge9 K N2 O Si8'
_chemical_formula_weight         1831.49

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'
B B 0.0013 0.0007 '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'
K K 0.2009 0.2494 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.4024(12)
_cell_length_b                   16.8409(13)
_cell_length_c                   17.5417(10)
_cell_angle_alpha                92.419(6)
_cell_angle_beta                 107.892(5)
_cell_angle_gamma                102.920(6)
_cell_volume                     4462.2(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    114860
_cell_measurement_theta_min      2.58
_cell_measurement_theta_max      30.59

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.363
_exptl_crystal_F_000             1864
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    3.174
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.551
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   'STOE X-AREA 1.76'

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Genix 3D HF Mo'
_diffrn_measurement_device_type  'STOE StadiVari'
_diffrn_measurement_method       'ω scans'
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_reflns_number            96277
_diffrn_reflns_av_unetI/netI     0.1019
_diffrn_reflns_av_R_equivalents  0.0848
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.650
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             17531
_reflns_number_gt                10345
_reflns_threshold_expression     'I > 2σ(I)'

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
;

_computing_data_collection       'STOE X-AREA 1.76'
_computing_cell_refinement       'STOE X-AREA 1.76'
_computing_data_reduction        'STOE X-AREA 1.76'
_computing_structure_solution    SHELXS-97
_computing_structure_refinement  SHELXL-2014/7
_computing_molecular_graphics    'DIAMOND 3.2k'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0328P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         17531
_refine_ls_number_parameters     785
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1025
_refine_ls_R_factor_gt           0.0443
_refine_ls_wR_factor_ref         0.0871
_refine_ls_wR_factor_gt          0.0727
_refine_ls_goodness_of_fit_ref   0.901
_refine_ls_restrained_S_all      0.901
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.23359(4) 0.77039(4) 0.89193(3) 0.02444(13) Uani 1 1 d . . . . .
Ge2 Ge 0.39609(4) 0.79624(4) 0.96511(3) 0.02631(14) Uani 1 1 d . . . . .
Ge3 Ge 0.39407(3) 0.79610(4) 0.81977(3) 0.02285(13) Uani 1 1 d . . . . .
Ge4 Ge 0.22905(4) 0.75584(4) 0.74486(3) 0.02596(14) Uani 1 1 d . . . . .
Ge5 Ge 0.20991(3) 0.89144(3) 0.81444(3) 0.02136(13) Uani 1 1 d . . . . .
Ge6 Ge 0.32424(4) 0.92215(4) 0.97505(3) 0.02593(14) Uani 1 1 d . . . . .
Ge7 Ge 0.45587(3) 0.93724(4) 0.91155(3) 0.02396(13) Uani 1 1 d . . . . .
Ge8 Ge 0.33220(4) 0.90977(4) 0.74613(3) 0.02446(13) Uani 1 1 d . . . . .
Ge9 Ge 0.33576(4) 1.01817(4) 0.86437(3) 0.02603(13) Uani 1 1 d . . . . .
Si1 Si 0.50353(9) 0.76065(9) 0.77035(8) 0.0233(3) Uani 1 1 d . . . . .
Si2 Si 0.60972(11) 0.73029(11) 0.88221(10) 0.0369(4) Uani 1 1 d . . . . .
Si3 Si 0.42380(11) 0.64568(10) 0.67421(9) 0.0317(4) Uani 1 1 d . . . . .
Si4 Si 0.57021(10) 0.86671(10) 0.71070(9) 0.0302(4) Uani 1 1 d . . . . .
Si5 Si 0.06232(9) 0.90609(9) 0.75250(8) 0.0211(3) Uani 1 1 d . . . . .
Si6 Si -0.02860(9) 0.78924(9) 0.66250(9) 0.0259(3) Uani 1 1 d . . . . .
Si7 Si 0.00361(10) 0.94091(10) 0.85245(9) 0.0289(4) Uani 1 1 d . . . . .
Si8 Si 0.07859(10) 1.01857(10) 0.67888(9) 0.0269(3) Uani 1 1 d . . . . .
K1 K 0.47298(8) 0.86943(8) 1.16757(7) 0.0305(3) Uani 1 1 d . . . . .
O1 O 0.3294(2) 0.7900(2) 1.2165(2) 0.0280(9) Uani 1 1 d . . . . .
B1 B 0.3356(4) 0.7391(4) 1.2761(3) 0.0213(13) Uani 1 1 d . . . . .
N1 N 0.4168(3) 0.7167(3) 1.3135(2) 0.0259(10) Uani 1 1 d . . . . .
N2 N 0.2762(3) 0.7023(3) 1.3163(2) 0.0239(10) Uani 1 1 d . . . . .
C1 C 0.1318(3) 0.7320(4) 0.9333(3) 0.0313(13) Uani 1 1 d . . . . .
H1A H 0.0786 0.7443 0.8957 0.038 Uiso 1 1 calc R U . . .
H1B H 0.1201 0.6716 0.9325 0.038 Uiso 1 1 calc R U . . .
C2 C 0.1453(3) 0.7697(4) 1.0179(3) 0.0286(13) Uani 1 1 d . . . . .
H2A H 0.1548 0.8299 1.0186 0.034 Uiso 1 1 calc R U . . .
H2B H 0.0908 0.7487 1.0317 0.034 Uiso 1 1 calc R U . . .
C3 C 0.2228(3) 0.7512(3) 1.0813(3) 0.0287(13) Uani 1 1 d . . . . .
H3A H 0.2749 0.7631 1.0626 0.034 Uiso 1 1 calc R U . . .
H3B H 0.2085 0.6920 1.0873 0.034 Uiso 1 1 calc R U . . .
C4 C 0.2464(3) 0.8001(4) 1.1629(3) 0.0284(13) Uani 1 1 d . . . . .
H4A H 0.2514 0.8589 1.1563 0.034 Uiso 1 1 calc R U . . .
H4B H 0.1990 0.7813 1.1867 0.034 Uiso 1 1 calc R U . . .
C5 C 0.3221(3) 0.6613(3) 1.3766(3) 0.0288(13) Uani 1 1 d . . . . .
H5 H 0.2981 0.6320 1.4130 0.035 Uiso 1 1 calc R U . . .
C6 C 0.4048(4) 0.6696(3) 1.3753(3) 0.0303(13) Uani 1 1 d . . . . .
H6 H 0.4483 0.6472 1.4104 0.036 Uiso 1 1 calc R U . . .
C7 C 0.4946(3) 0.7327(3) 1.2892(3) 0.0240(12) Uani 1 1 d . . . . .
C8 C 0.5671(3) 0.7951(3) 1.3331(3) 0.0264(12) Uani 1 1 d . . . . .
C9 C 0.6381(4) 0.8151(4) 1.3035(3) 0.0359(14) Uani 1 1 d . . . . .
H9 H 0.6925 0.8580 1.3350 0.043 Uiso 1 1 calc R U . . .
C10 C 0.6352(4) 0.7730(4) 1.2323(3) 0.0387(15) Uani 1 1 d . . . . .
H10 H 0.6832 0.7881 1.2120 0.046 Uiso 1 1 calc R U . . .
C11 C 0.5630(4) 0.7095(4) 1.1910(3) 0.0354(14) Uani 1 1 d . . . . .
H11 H 0.5641 0.6769 1.1425 0.042 Uiso 1 1 calc R U . . .
C12 C 0.4907(3) 0.6880(3) 1.2180(3) 0.0264(12) Uani 1 1 d . . . . .
C13 C 0.5702(4) 0.8431(3) 1.4097(3) 0.0314(13) Uani 1 1 d . . . . .
H13 H 0.5299 0.8069 1.4337 0.038 Uiso 1 1 calc R U . . .
C14 C 0.6620(4) 0.8677(5) 1.4736(4) 0.0549(19) Uani 1 1 d . . . . .
H14A H 0.6575 0.8900 1.5242 0.082 Uiso 1 1 calc R U . . .
H14B H 0.7012 0.9095 1.4550 0.082 Uiso 1 1 calc R U . . .
H14C H 0.6863 0.8194 1.4825 0.082 Uiso 1 1 calc R U . . .
C15 C 0.5344(5) 0.9184(4) 1.3894(4) 0.0544(19) Uani 1 1 d . . . . .
H15A H 0.5331 0.9469 1.4388 0.082 Uiso 1 1 calc R U . . .
H15B H 0.4744 0.9013 1.3506 0.082 Uiso 1 1 calc R U . . .
H15C H 0.5727 0.9554 1.3659 0.082 Uiso 1 1 calc R U . . .
C16 C 0.4135(4) 0.6163(4) 1.1738(4) 0.0399(15) Uani 1 1 d . . . . .
H16 H 0.3581 0.6335 1.1704 0.048 Uiso 1 1 calc R U . . .
C17 C 0.4135(5) 0.5410(4) 1.2207(4) 0.065(2) Uani 1 1 d . . . . .
H17A H 0.4122 0.5559 1.2748 0.097 Uiso 1 1 calc R U . . .
H17B H 0.4671 0.5224 1.2251 0.097 Uiso 1 1 calc R U . . .
H17C H 0.3613 0.4967 1.1920 0.097 Uiso 1 1 calc R U . . .
C18 C 0.4081(5) 0.5895(4) 1.0884(4) 0.067(2) Uani 1 1 d . . . . .
H18A H 0.3552 0.5446 1.0638 0.100 Uiso 1 1 calc R U . . .
H18B H 0.4608 0.5707 1.0895 0.100 Uiso 1 1 calc R U . . .
H18C H 0.4048 0.6358 1.0566 0.100 Uiso 1 1 calc R U . . .
C19 C 0.1855(3) 0.7027(3) 1.3054(3) 0.0256(12) Uani 1 1 d . . . . .
C20 C 0.1687(3) 0.7606(3) 1.3549(3) 0.0271(12) Uani 1 1 d . . . . .
C21 C 0.0801(4) 0.7611(4) 1.3427(3) 0.0386(15) Uani 1 1 d . . . . .
H21 H 0.0664 0.8000 1.3745 0.046 Uiso 1 1 calc R U . . .
C22 C 0.0129(4) 0.7053(4) 1.2846(3) 0.0395(15) Uani 1 1 d . . . . .
H22 H -0.0468 0.7060 1.2771 0.047 Uiso 1 1 calc R U . . .
C23 C 0.0308(4) 0.6485(4) 1.2371(3) 0.0357(14) Uani 1 1 d . . . . .
H23 H -0.0167 0.6110 1.1972 0.043 Uiso 1 1 calc R U . . .
C24 C 0.1174(4) 0.6455(3) 1.2470(3) 0.0278(12) Uani 1 1 d . . . . .
C25 C 0.2435(4) 0.8244(4) 1.4163(3) 0.0351(14) Uani 1 1 d . . . . .
H25 H 0.2957 0.8001 1.4336 0.042 Uiso 1 1 calc R U . . .
C26 C 0.2219(4) 0.8463(4) 1.4918(3) 0.0507(18) Uani 1 1 d . . . . .
H26A H 0.2748 0.8817 1.5319 0.076 Uiso 1 1 calc R U . . .
H26B H 0.2024 0.7960 1.5143 0.076 Uiso 1 1 calc R U . . .
H26C H 0.1747 0.8752 1.4779 0.076 Uiso 1 1 calc R U . . .
C27 C 0.2709(4) 0.9014(4) 1.3786(4) 0.0502(18) Uani 1 1 d . . . . .
H27A H 0.3217 0.9396 1.4183 0.075 Uiso 1 1 calc R U . . .
H27B H 0.2214 0.9275 1.3618 0.075 Uiso 1 1 calc R U . . .
H27C H 0.2870 0.8866 1.3315 0.075 Uiso 1 1 calc R U . . .
C28 C 0.1366(4) 0.5811(3) 1.1952(3) 0.0321(13) Uani 1 1 d . . . . .
H28 H 0.1950 0.6060 1.1887 0.038 Uiso 1 1 calc R U . . .
C29 C 0.0694(4) 0.5573(4) 1.1107(3) 0.0515(18) Uani 1 1 d . . . . .
H29A H 0.0131 0.5253 1.1140 0.077 Uiso 1 1 calc R U . . .
H29B H 0.0915 0.5243 1.0780 0.077 Uiso 1 1 calc R U . . .
H29C H 0.0605 0.6070 1.0857 0.077 Uiso 1 1 calc R U . . .
C30 C 0.1462(5) 0.5054(4) 1.2377(4) 0.063(2) Uani 1 1 d . . . . .
H30A H 0.0901 0.4792 1.2454 0.094 Uiso 1 1 calc R U . . .
H30B H 0.1927 0.5214 1.2903 0.094 Uiso 1 1 calc R U . . .
H30C H 0.1621 0.4668 1.2047 0.094 Uiso 1 1 calc R U . . .
C31 C 0.6943(4) 0.6913(4) 0.8496(4) 0.0476(17) Uani 1 1 d . . . . .
H31A H 0.7317 0.6700 0.8949 0.071 Uiso 1 1 calc R U . . .
H31B H 0.7311 0.7363 0.8321 0.071 Uiso 1 1 calc R U . . .
H31C H 0.6641 0.6474 0.8047 0.071 Uiso 1 1 calc R U . . .
C32 C 0.5569(5) 0.6500(5) 0.9347(4) 0.064(2) Uani 1 1 d . . . . .
H32A H 0.5142 0.6700 0.9540 0.096 Uiso 1 1 calc R U . . .
H32B H 0.6025 0.6380 0.9807 0.096 Uiso 1 1 calc R U . . .
H32C H 0.5263 0.5999 0.8970 0.096 Uiso 1 1 calc R U . . .
C33 C 0.6675(5) 0.8264(5) 0.9549(4) 0.076(3) Uani 1 1 d . . . . .
H33A H 0.7102 0.8137 1.0026 0.114 Uiso 1 1 calc R U . . .
H33B H 0.6238 0.8480 0.9711 0.114 Uiso 1 1 calc R U . . .
H33C H 0.6985 0.8674 0.9287 0.114 Uiso 1 1 calc R U . . .
C34 C 0.3321(4) 0.6723(4) 0.5935(3) 0.0487(18) Uani 1 1 d . . . . .
H34A H 0.3006 0.7028 0.6185 0.073 Uiso 1 1 calc R U . . .
H34B H 0.2909 0.6218 0.5619 0.073 Uiso 1 1 calc R U . . .
H34C H 0.3568 0.7063 0.5580 0.073 Uiso 1 1 calc R U . . .
C35 C 0.4992(4) 0.6107(4) 0.6251(4) 0.0479(17) Uani 1 1 d . . . . .
H35A H 0.5466 0.5949 0.6662 0.072 Uiso 1 1 calc R U . . .
H35B H 0.5249 0.6555 0.5992 0.072 Uiso 1 1 calc R U . . .
H35C H 0.4652 0.5635 0.5845 0.072 Uiso 1 1 calc R U . . .
C36 C 0.3719(4) 0.5617(4) 0.7229(4) 0.0514(18) Uani 1 1 d . . . . .
H36A H 0.4182 0.5440 0.7636 0.077 Uiso 1 1 calc R U . . .
H36B H 0.3362 0.5152 0.6819 0.077 Uiso 1 1 calc R U . . .
H36C H 0.3339 0.5815 0.7487 0.077 Uiso 1 1 calc R U . . .
C37 C 0.5899(4) 0.9693(4) 0.7692(3) 0.0407(15) Uani 1 1 d . . . . .
H37A H 0.6193 1.0126 0.7441 0.049 Uiso 1 1 calc R U . . .
H37B H 0.6275 0.9698 0.8249 0.049 Uiso 1 1 calc R U . . .
H37C H 0.5332 0.9789 0.7693 0.049 Uiso 1 1 calc R U . . .
C38 C 0.4985(4) 0.8701(4) 0.6049(3) 0.0432(16) Uani 1 1 d . . . . .
H38A H 0.5250 0.9186 0.5837 0.065 Uiso 1 1 calc R U . . .
H38B H 0.4395 0.8730 0.6051 0.065 Uiso 1 1 calc R U . . .
H38C H 0.4936 0.8206 0.5707 0.065 Uiso 1 1 calc R U . . .
C39 C 0.6795(4) 0.8530(4) 0.7063(4) 0.0483(17) Uani 1 1 d . . . . .
H39A H 0.7202 0.8566 0.7612 0.073 Uiso 1 1 calc R U . . .
H39B H 0.7045 0.8962 0.6781 0.073 Uiso 1 1 calc R U . . .
H39C H 0.6706 0.7992 0.6771 0.073 Uiso 1 1 calc R U . . .
C40 C -0.0255(4) 0.6927(3) 0.7116(3) 0.0372(14) Uani 1 1 d . . . . .
H40A H -0.0494 0.6942 0.7562 0.056 Uiso 1 1 calc R U . . .
H40B H 0.0358 0.6881 0.7324 0.056 Uiso 1 1 calc R U . . .
H40C H -0.0611 0.6452 0.6718 0.056 Uiso 1 1 calc R U . . .
C41 C 0.0073(4) 0.7820(4) 0.5715(3) 0.0364(14) Uani 1 1 d . . . . .
H41A H -0.0221 0.7281 0.5401 0.055 Uiso 1 1 calc R U . . .
H41B H 0.0715 0.7894 0.5885 0.055 Uiso 1 1 calc R U . . .
H41C H -0.0089 0.8249 0.5381 0.055 Uiso 1 1 calc R U . . .
C42 C -0.1456(3) 0.7994(4) 0.6301(4) 0.0419(16) Uani 1 1 d . . . . .
H42A H -0.1649 0.8029 0.6775 0.063 Uiso 1 1 calc R U . . .
H42B H -0.1842 0.7514 0.5924 0.063 Uiso 1 1 calc R U . . .
H42C H -0.1490 0.8491 0.6035 0.063 Uiso 1 1 calc R U . . .
C43 C -0.0783(4) 1.0039(4) 0.8114(4) 0.0470(17) Uani 1 1 d . . . . .
H43A H -0.0469 1.0580 0.8035 0.070 Uiso 1 1 calc R U . . .
H43B H -0.1097 1.0103 0.8497 0.070 Uiso 1 1 calc R U . . .
H43C H -0.1209 0.9760 0.7596 0.070 Uiso 1 1 calc R U . . .
C44 C 0.0959(4) 1.0033(4) 0.9417(3) 0.0433(16) Uani 1 1 d . . . . .
H44A H 0.0715 1.0186 0.9831 0.065 Uiso 1 1 calc R U . . .
H44B H 0.1258 1.0530 0.9245 0.065 Uiso 1 1 calc R U . . .
H44C H 0.1384 0.9708 0.9640 0.065 Uiso 1 1 calc R U . . .
C45 C -0.0565(4) 0.8471(4) 0.8845(4) 0.0435(16) Uani 1 1 d . . . . .
H45A H -0.0910 0.8630 0.9167 0.065 Uiso 1 1 calc R U . . .
H45B H -0.0136 0.8194 0.9170 0.065 Uiso 1 1 calc R U . . .
H45C H -0.0963 0.8098 0.8366 0.065 Uiso 1 1 calc R U . . .
C46 C 0.1523(4) 1.0089(4) 0.6178(3) 0.0351(14) Uani 1 1 d . . . . .
H46A H 0.2114 1.0095 0.6540 0.053 Uiso 1 1 calc R U . . .
H46B H 0.1563 1.0550 0.5857 0.053 Uiso 1 1 calc R U . . .
H46C H 0.1278 0.9572 0.5818 0.053 Uiso 1 1 calc R U . . .
C47 C 0.1256(4) 1.1179(3) 0.7474(3) 0.0382(14) Uani 1 1 d . . . . .
H47A H 0.1788 1.1143 0.7906 0.057 Uiso 1 1 calc R U . . .
H47B H 0.0816 1.1287 0.7710 0.057 Uiso 1 1 calc R U . . .
H47C H 0.1410 1.1627 0.7164 0.057 Uiso 1 1 calc R U . . .
C48 C -0.0315(4) 1.0220(4) 0.6070(3) 0.0400(15) Uani 1 1 d . . . . .
H48A H -0.0726 1.0243 0.6370 0.060 Uiso 1 1 calc R U . . .
H48B H -0.0550 0.9727 0.5676 0.060 Uiso 1 1 calc R U . . .
H48C H -0.0247 1.0708 0.5788 0.060 Uiso 1 1 calc R U . . .
C49 C 0.2344(4) 0.3716(4) 0.5682(3) 0.0381(15) Uani 1 1 d . . . . .
C50 C 0.3158(4) 0.3617(4) 0.5656(4) 0.0475(17) Uani 1 1 d . . . . .
H50 H 0.3477 0.3314 0.6031 0.057 Uiso 1 1 calc R U . . .
C51 C 0.3497(5) 0.3961(4) 0.5081(4) 0.0528(18) Uani 1 1 d . . . . .
H51 H 0.4047 0.3886 0.5060 0.063 Uiso 1 1 calc R U . . .
C52 C 0.3054(5) 0.4410(4) 0.4540(4) 0.0534(18) Uani 1 1 d . . . . .
H52 H 0.3294 0.4646 0.4149 0.064 Uiso 1 1 calc R U . . .
C53 C 0.2255(4) 0.4513(4) 0.4574(4) 0.0445(16) Uani 1 1 d . . . . .
H53 H 0.1947 0.4828 0.4206 0.053 Uiso 1 1 calc R U . . .
C54 C 0.1897(4) 0.4163(4) 0.5135(3) 0.0365(14) Uani 1 1 d . . . . .
H54 H 0.1340 0.4230 0.5143 0.044 Uiso 1 1 calc R U . . .
C55 C 0.1937(5) 0.3332(5) 0.6290(4) 0.068(2) Uani 1 1 d . . . . .
H55A H 0.2384 0.3450 0.6828 0.103 Uiso 1 1 calc R U . . .
H55B H 0.1725 0.2737 0.6140 0.103 Uiso 1 1 calc R U . . .
H55C H 0.1440 0.3563 0.6296 0.103 Uiso 1 1 calc R U . . .
C56 C -0.1675(5) 0.6541(6) 1.0762(5) 0.072(2) Uani 1 1 d . . . . .
C57 C -0.1597(5) 0.5804(7) 1.0404(5) 0.074(3) Uani 1 1 d . . . . .
H57 H -0.1291 0.5819 1.0023 0.088 Uiso 1 1 calc R U . . .
C58 C -0.1966(8) 0.5076(8) 1.0610(7) 0.114(4) Uani 1 1 d . . . . .
H58 H -0.1881 0.4595 1.0377 0.136 Uiso 1 1 calc R U . . .
C59 C -0.2447(8) 0.4978(8) 1.1122(6) 0.119(4) Uani 1 1 d . . . . .
H59 H -0.2701 0.4457 1.1250 0.142 Uiso 1 1 calc R U . . .
C60 C -0.2536(7) 0.5735(8) 1.1450(5) 0.105(4) Uani 1 1 d . . . . .
H60 H -0.2874 0.5717 1.1805 0.126 Uiso 1 1 calc R U . . .
C61 C -0.2156(5) 0.6482(6) 1.1277(5) 0.073(3) Uani 1 1 d . . . . .
H61 H -0.2228 0.6967 1.1517 0.088 Uiso 1 1 calc R U . . .
C62 C -0.1245(6) 0.7311(6) 1.0597(5) 0.095(3) Uani 1 1 d . . . . .
H62A H -0.1240 0.7265 1.0039 0.142 Uiso 1 1 calc R U . . .
H62B H -0.0636 0.7479 1.0967 0.142 Uiso 1 1 calc R U . . .
H62C H -0.1563 0.7722 1.0669 0.142 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Ge1 C1 2.007(5) . ?
Ge1 Ge2 2.5046(8) . ?
Ge1 Ge5 2.5334(8) . ?
Ge1 Ge4 2.5577(8) . ?
Ge1 Ge6 2.7429(9) . ?
Ge2 Ge3 2.5394(7) . ?
Ge2 Ge6 2.6699(8) . ?
Ge2 Ge7 2.6825(9) . ?
Ge2 K1 3.4506(13) . ?
Ge3 Si1 2.3923(14) . ?
Ge3 Ge4 2.5361(8) . ?
Ge3 Ge8 2.5758(8) . ?
Ge3 Ge7 2.6202(8) . ?
Ge4 Ge5 2.6690(8) . ?
Ge4 Ge8 2.7555(9) . ?
Ge5 Si5 2.4033(15) . ?
Ge5 Ge9 2.5188(8) . ?
Ge5 Ge8 2.6048(7) . ?
Ge5 Ge6 2.8140(8) . ?
Ge6 Ge9 2.6027(8) . ?
Ge6 Ge7 2.6876(7) . ?
Ge6 K1 3.7822(13) . ?
Ge7 Ge9 2.5919(8) . ?
Ge7 Ge8 2.9324(8) . ?
Ge7 K1 3.6833(14) 2_677 ?
Ge8 Ge9 2.6825(8) . ?
Ge9 K1 3.5002(13) 2_677 ?
Si1 Si4 2.339(2) . ?
Si1 Si2 2.351(2) . ?
Si1 Si3 2.354(2) . ?
Si2 C32 1.871(7) . ?
Si2 C33 1.881(6) . ?
Si2 C31 1.884(6) . ?
Si3 C36 1.862(6) . ?
Si3 C34 1.875(6) . ?
Si3 C35 1.885(5) . ?
Si4 C38 1.879(6) . ?
Si4 C39 1.881(5) . ?
Si4 C37 1.881(6) . ?
Si5 Si8 2.349(2) . ?
Si5 Si7 2.3553(18) . ?
Si5 Si6 2.360(2) . ?
Si6 C41 1.872(5) . ?
Si6 C40 1.876(6) . ?
Si6 C42 1.877(5) . ?
Si7 C45 1.872(6) . ?
Si7 C44 1.881(6) . ?
Si7 C43 1.885(6) . ?
Si8 C46 1.872(5) . ?
Si8 C48 1.873(6) . ?
Si8 C47 1.877(6) . ?
K1 O1 2.829(4) . ?
K1 C7 3.209(5) . ?
K1 C12 3.266(5) . ?
K1 C8 3.287(5) . ?
K1 C11 3.332(6) . ?
K1 C9 3.343(6) . ?
K1 C10 3.352(6) . ?
K1 C37 3.372(6) 2_677 ?
K1 Ge9 3.5002(13) 2_677 ?
K1 Ge7 3.6833(14) 2_677 ?
O1 B1 1.375(7) . ?
O1 C4 1.447(6) . ?
B1 N2 1.421(7) . ?
B1 N1 1.432(7) . ?
N1 C6 1.405(6) . ?
N1 C7 1.441(6) . ?
N2 C5 1.402(6) . ?
N2 C19 1.443(6) . ?
C1 C2 1.520(7) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.512(7) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.514(7) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.339(7) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.388(7) . ?
C7 C12 1.406(7) . ?
C8 C9 1.397(7) . ?
C8 C13 1.519(7) . ?
C9 C10 1.392(7) . ?
C9 H9 1.0000 . ?
C10 C11 1.383(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.390(7) . ?
C11 H11 1.0000 . ?
C12 C16 1.516(8) . ?
C13 C15 1.524(8) . ?
C13 C14 1.530(8) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C18 1.517(8) . ?
C16 C17 1.541(9) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C24 1.398(7) . ?
C19 C20 1.405(7) . ?
C20 C21 1.405(7) . ?
C20 C25 1.523(8) . ?
C21 C22 1.379(8) . ?
C21 H21 0.9500 . ?
C22 C23 1.379(8) . ?
C22 H22 0.9500 . ?
C23 C24 1.390(7) . ?
C23 H23 0.9500 . ?
C24 C28 1.531(7) . ?
C25 C27 1.520(8) . ?
C25 C26 1.525(7) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C30 1.517(8) . ?
C28 C29 1.524(8) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 K1 3.372(6) 2_677 ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C54 1.379(8) . ?
C49 C50 1.396(8) . ?
C49 C55 1.517(8) . ?
C50 C51 1.384(9) . ?
C50 H50 0.9500 . ?
C51 C52 1.371(9) . ?
C51 H51 0.9500 . ?
C52 C53 1.378(9) . ?
C52 H52 0.9500 . ?
C53 C54 1.383(8) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 C61 1.363(10) . ?
C56 C57 1.416(11) . ?
C56 C62 1.418(11) . ?
C57 C58 1.357(13) . ?
C57 H57 0.9500 . ?
C58 C59 1.358(14) . ?
C58 H58 0.9500 . ?
C59 C60 1.433(14) . ?
C59 H59 0.9500 . ?
C60 C61 1.364(12) . ?
C60 H60 0.9500 . ?
C61 H61 0.9500 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?

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
C1 Ge1 Ge2 129.01(15) . . ?
C1 Ge1 Ge5 109.07(17) . . ?
Ge2 Ge1 Ge5 107.32(3) . . ?
C1 Ge1 Ge4 126.57(15) . . ?
Ge2 Ge1 Ge4 101.35(3) . . ?
Ge5 Ge1 Ge4 63.23(2) . . ?
C1 Ge1 Ge6 106.14(16) . . ?
Ge2 Ge1 Ge6 60.97(2) . . ?
Ge5 Ge1 Ge6 64.32(2) . . ?
Ge4 Ge1 Ge6 114.14(3) . . ?
Ge1 Ge2 Ge3 79.03(2) . . ?
Ge1 Ge2 Ge6 63.93(2) . . ?
Ge3 Ge2 Ge6 99.24(3) . . ?
Ge1 Ge2 Ge7 100.31(3) . . ?
Ge3 Ge2 Ge7 60.16(2) . . ?
Ge6 Ge2 Ge7 60.28(2) . . ?
Ge1 Ge2 K1 118.04(3) . . ?
Ge3 Ge2 K1 154.86(3) . . ?
Ge6 Ge2 K1 75.13(3) . . ?
Ge7 Ge2 K1 96.99(3) . . ?
Si1 Ge3 Ge4 124.75(4) . . ?
Si1 Ge3 Ge2 124.97(4) . . ?
Ge4 Ge3 Ge2 101.00(3) . . ?
Si1 Ge3 Ge8 111.61(4) . . ?
Ge4 Ge3 Ge8 65.23(2) . . ?
Ge2 Ge3 Ge8 114.71(3) . . ?
Si1 Ge3 Ge7 111.57(4) . . ?
Ge4 Ge3 Ge7 116.38(3) . . ?
Ge2 Ge3 Ge7 62.63(2) . . ?
Ge8 Ge3 Ge7 68.71(2) . . ?
Ge3 Ge4 Ge1 78.12(2) . . ?
Ge3 Ge4 Ge5 90.69(2) . . ?
Ge1 Ge4 Ge5 57.94(2) . . ?
Ge3 Ge4 Ge8 58.08(2) . . ?
Ge1 Ge4 Ge8 97.67(3) . . ?
Ge5 Ge4 Ge8 57.37(2) . . ?
Si5 Ge5 Ge9 119.18(4) . . ?
Si5 Ge5 Ge1 119.65(4) . . ?
Ge9 Ge5 Ge1 114.21(3) . . ?
Si5 Ge5 Ge8 125.29(4) . . ?
Ge9 Ge5 Ge8 63.12(2) . . ?
Ge1 Ge5 Ge8 102.31(3) . . ?
Si5 Ge5 Ge4 109.54(4) . . ?
Ge9 Ge5 Ge4 121.44(3) . . ?
Ge1 Ge5 Ge4 58.83(2) . . ?
Ge8 Ge5 Ge4 62.99(2) . . ?
Si5 Ge5 Ge6 132.64(4) . . ?
Ge9 Ge5 Ge6 58.11(2) . . ?
Ge1 Ge5 Ge6 61.45(2) . . ?
Ge8 Ge5 Ge6 96.84(2) . . ?
Ge4 Ge5 Ge6 108.48(3) . . ?
Ge9 Ge6 Ge2 112.44(2) . . ?
Ge9 Ge6 Ge7 58.65(2) . . ?
Ge2 Ge6 Ge7 60.09(2) . . ?
Ge9 Ge6 Ge1 105.02(3) . . ?
Ge2 Ge6 Ge1 55.11(2) . . ?
Ge7 Ge6 Ge1 94.38(2) . . ?
Ge9 Ge6 Ge5 55.26(2) . . ?
Ge2 Ge6 Ge5 95.43(2) . . ?
Ge7 Ge6 Ge5 85.85(2) . . ?
Ge1 Ge6 Ge5 54.23(2) . . ?
Ge9 Ge6 K1 138.92(3) . . ?
Ge2 Ge6 K1 61.85(2) . . ?
Ge7 Ge6 K1 89.51(3) . . ?
Ge1 Ge6 K1 102.46(3) . . ?
Ge5 Ge6 K1 155.64(3) . . ?
Ge9 Ge7 Ge3 105.99(3) . . ?
Ge9 Ge7 Ge2 112.38(3) . . ?
Ge3 Ge7 Ge2 57.21(2) . . ?
Ge9 Ge7 Ge6 59.04(2) . . ?
Ge3 Ge7 Ge6 96.79(3) . . ?
Ge2 Ge7 Ge6 59.63(2) . . ?
Ge9 Ge7 Ge8 57.71(2) . . ?
Ge3 Ge7 Ge8 54.93(2) . . ?
Ge2 Ge7 Ge8 100.09(3) . . ?
Ge6 Ge7 Ge8 92.28(2) . . ?
Ge9 Ge7 K1 65.12(3) . 2_677 ?
Ge3 Ge7 K1 121.92(3) . 2_677 ?
Ge2 Ge7 K1 177.28(3) . 2_677 ?
Ge6 Ge7 K1 118.62(3) . 2_677 ?
Ge8 Ge7 K1 77.71(3) . 2_677 ?
Ge3 Ge8 Ge5 91.28(2) . . ?
Ge3 Ge8 Ge9 104.65(2) . . ?
Ge5 Ge8 Ge9 56.88(2) . . ?
Ge3 Ge8 Ge4 56.69(2) . . ?
Ge5 Ge8 Ge4 59.65(2) . . ?
Ge9 Ge8 Ge4 112.65(2) . . ?
Ge3 Ge8 Ge7 56.36(2) . . ?
Ge5 Ge8 Ge7 84.98(2) . . ?
Ge9 Ge8 Ge7 54.76(2) . . ?
Ge4 Ge8 Ge7 100.74(3) . . ?
Ge5 Ge9 Ge7 94.33(3) . . ?
Ge5 Ge9 Ge6 66.63(2) . . ?
Ge7 Ge9 Ge6 62.31(2) . . ?
Ge5 Ge9 Ge8 60.01(2) . . ?
Ge7 Ge9 Ge8 67.53(2) . . ?
Ge6 Ge9 Ge8 100.23(3) . . ?
Ge5 Ge9 K1 144.15(3) . 2_677 ?
Ge7 Ge9 K1 72.68(3) . 2_677 ?
Ge6 Ge9 K1 128.13(3) . 2_677 ?
Ge8 Ge9 K1 84.26(3) . 2_677 ?
Si4 Si1 Si2 110.23(8) . . ?
Si4 Si1 Si3 110.64(8) . . ?
Si2 Si1 Si3 113.17(8) . . ?
Si4 Si1 Ge3 112.50(7) . . ?
Si2 Si1 Ge3 106.33(7) . . ?
Si3 Si1 Ge3 103.78(7) . . ?
C32 Si2 C33 109.1(4) . . ?
C32 Si2 C31 108.2(3) . . ?
C33 Si2 C31 108.8(3) . . ?
C32 Si2 Si1 111.0(2) . . ?
C33 Si2 Si1 109.0(2) . . ?
C31 Si2 Si1 110.6(2) . . ?
C36 Si3 C34 107.1(3) . . ?
C36 Si3 C35 110.9(3) . . ?
C34 Si3 C35 108.3(3) . . ?
C36 Si3 Si1 110.0(2) . . ?
C34 Si3 Si1 110.3(2) . . ?
C35 Si3 Si1 110.0(2) . . ?
C38 Si4 C39 107.9(3) . . ?
C38 Si4 C37 107.2(3) . . ?
C39 Si4 C37 108.4(3) . . ?
C38 Si4 Si1 111.4(2) . . ?
C39 Si4 Si1 110.9(2) . . ?
C37 Si4 Si1 110.90(19) . . ?
Si8 Si5 Si7 107.58(8) . . ?
Si8 Si5 Si6 108.74(7) . . ?
Si7 Si5 Si6 113.24(8) . . ?
Si8 Si5 Ge5 105.03(6) . . ?
Si7 Si5 Ge5 109.97(7) . . ?
Si6 Si5 Ge5 111.86(7) . . ?
C41 Si6 C40 109.4(3) . . ?
C41 Si6 C42 109.1(3) . . ?
C40 Si6 C42 108.1(3) . . ?
C41 Si6 Si5 110.04(19) . . ?
C40 Si6 Si5 111.56(19) . . ?
C42 Si6 Si5 108.55(19) . . ?
C45 Si7 C44 110.1(3) . . ?
C45 Si7 C43 107.4(3) . . ?
C44 Si7 C43 108.9(3) . . ?
C45 Si7 Si5 111.25(19) . . ?
C44 Si7 Si5 109.27(18) . . ?
C43 Si7 Si5 109.8(2) . . ?
C46 Si8 C48 107.5(3) . . ?
C46 Si8 C47 109.3(3) . . ?
C48 Si8 C47 108.1(3) . . ?
C46 Si8 Si5 110.5(2) . . ?
C48 Si8 Si5 110.0(2) . . ?
C47 Si8 Si5 111.3(2) . . ?
O1 K1 C7 59.37(11) . . ?
O1 K1 C12 68.65(12) . . ?
C7 K1 C12 25.06(12) . . ?
O1 K1 C8 76.08(12) . . ?
C7 K1 C8 24.63(13) . . ?
C12 K1 C8 44.00(13) . . ?
O1 K1 C11 92.87(13) . . ?
C7 K1 C11 42.79(12) . . ?
C12 K1 C11 24.29(13) . . ?
C8 K1 C11 50.08(13) . . ?
O1 K1 C9 99.75(12) . . ?
C7 K1 C9 42.59(14) . . ?
C12 K1 C9 50.18(14) . . ?
C8 K1 C9 24.30(12) . . ?
C11 K1 C9 42.31(14) . . ?
O1 K1 C10 108.04(13) . . ?
C7 K1 C10 49.46(13) . . ?
C12 K1 C10 42.73(14) . . ?
C8 K1 C10 42.75(13) . . ?
C11 K1 C10 23.88(14) . . ?
C9 K1 C10 23.99(13) . . ?
O1 K1 C37 78.47(13) . 2_677 ?
C7 K1 C37 115.07(14) . 2_677 ?
C12 K1 C37 138.70(14) . 2_677 ?
C8 K1 C37 105.06(14) . 2_677 ?
C11 K1 C37 155.14(14) . 2_677 ?
C9 K1 C37 115.69(15) . 2_677 ?
C10 K1 C37 138.65(15) . 2_677 ?
O1 K1 Ge2 100.90(8) . . ?
C7 K1 Ge2 115.44(10) . . ?
C12 K1 Ge2 91.41(10) . . ?
C8 K1 Ge2 133.97(10) . . ?
C11 K1 Ge2 84.84(10) . . ?
C9 K1 Ge2 123.70(10) . . ?
C10 K1 Ge2 99.72(10) . . ?
C37 K1 Ge2 119.52(11) 2_677 . ?
O1 K1 Ge9 171.73(8) . 2_677 ?
C7 K1 Ge9 117.57(10) . 2_677 ?
C12 K1 Ge9 112.06(10) . 2_677 ?
C8 K1 Ge9 98.62(10) . 2_677 ?
C11 K1 Ge9 88.37(10) . 2_677 ?
C9 K1 Ge9 75.76(10) . 2_677 ?
C10 K1 Ge9 70.66(11) . 2_677 ?
C37 K1 Ge9 97.07(11) 2_677 2_677 ?
Ge2 K1 Ge9 87.35(3) . 2_677 ?
O1 K1 Ge7 137.97(8) . 2_677 ?
C7 K1 Ge7 155.40(10) . 2_677 ?
C12 K1 Ge7 153.27(10) . 2_677 ?
C8 K1 Ge7 131.10(10) . 2_677 ?
C11 K1 Ge7 128.97(10) . 2_677 ?
C9 K1 Ge7 113.66(11) . 2_677 ?
C10 K1 Ge7 112.85(11) . 2_677 ?
C37 K1 Ge7 64.67(10) 2_677 2_677 ?
Ge2 K1 Ge7 81.70(3) . 2_677 ?
Ge9 K1 Ge7 42.206(19) 2_677 2_677 ?
O1 K1 Ge6 93.34(8) . . ?
C7 K1 Ge6 144.51(10) . . ?
C12 K1 Ge6 128.20(10) . . ?
C8 K1 Ge6 168.58(10) . . ?
C11 K1 Ge6 127.68(10) . . ?
C9 K1 Ge6 163.58(10) . . ?
C10 K1 Ge6 140.94(10) . . ?
C37 K1 Ge6 76.50(11) 2_677 . ?
Ge2 K1 Ge6 43.021(19) . . ?
Ge9 K1 Ge6 92.36(3) 2_677 . ?
Ge7 K1 Ge6 60.02(2) 2_677 . ?
B1 O1 C4 123.8(4) . . ?
B1 O1 K1 124.5(3) . . ?
C4 O1 K1 111.1(3) . . ?
O1 B1 N2 133.3(5) . . ?
O1 B1 N1 120.6(5) . . ?
N2 B1 N1 106.1(5) . . ?
C6 N1 B1 107.4(4) . . ?
C6 N1 C7 125.2(4) . . ?
B1 N1 C7 127.2(4) . . ?
C5 N2 B1 107.3(4) . . ?
C5 N2 C19 120.8(4) . . ?
B1 N2 C19 131.8(4) . . ?
C2 C1 Ge1 115.2(4) . . ?
C2 C1 H1A 108.5 . . ?
Ge1 C1 H1A 108.5 . . ?
C2 C1 H1B 108.5 . . ?
Ge1 C1 H1B 108.5 . . ?
H1A C1 H1B 107.5 . . ?
C3 C2 C1 113.1(4) . . ?
C3 C2 H2A 109.0 . . ?
C1 C2 H2A 109.0 . . ?
C3 C2 H2B 109.0 . . ?
C1 C2 H2B 109.0 . . ?
H2A C2 H2B 107.8 . . ?
C2 C3 C4 113.5(4) . . ?
C2 C3 H3A 108.9 . . ?
C4 C3 H3A 108.9 . . ?
C2 C3 H3B 108.9 . . ?
C4 C3 H3B 108.9 . . ?
H3A C3 H3B 107.7 . . ?
O1 C4 C3 110.5(4) . . ?
O1 C4 H4A 109.6 . . ?
C3 C4 H4A 109.6 . . ?
O1 C4 H4B 109.6 . . ?
C3 C4 H4B 109.6 . . ?
H4A C4 H4B 108.1 . . ?
C6 C5 N2 110.1(5) . . ?
C6 C5 H5 125.0 . . ?
N2 C5 H5 125.0 . . ?
C5 C6 N1 109.1(5) . . ?
C5 C6 H6 125.5 . . ?
N1 C6 H6 125.5 . . ?
C8 C7 C12 123.0(5) . . ?
C8 C7 N1 118.8(4) . . ?
C12 C7 N1 118.0(5) . . ?
C8 C7 K1 80.8(3) . . ?
C12 C7 K1 79.8(3) . . ?
N1 C7 K1 106.3(3) . . ?
C7 C8 C9 117.7(5) . . ?
C7 C8 C13 122.5(5) . . ?
C9 C8 C13 119.8(5) . . ?
C7 C8 K1 74.5(3) . . ?
C9 C8 K1 80.1(3) . . ?
C13 C8 K1 113.5(3) . . ?
C10 C9 C8 120.5(5) . . ?
C10 C9 K1 78.4(3) . . ?
C8 C9 K1 75.6(3) . . ?
C10 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
K1 C9 H9 119.7 . . ?
C11 C10 C9 120.5(5) . . ?
C11 C10 K1 77.3(3) . . ?
C9 C10 K1 77.6(3) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
K1 C10 H10 116.0 . . ?
C10 C11 C12 120.9(5) . . ?
C10 C11 K1 78.9(4) . . ?
C12 C11 K1 75.2(3) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
K1 C11 H11 119.5 . . ?
C11 C12 C7 117.4(5) . . ?
C11 C12 C16 120.3(5) . . ?
C7 C12 C16 122.3(5) . . ?
C11 C12 K1 80.5(3) . . ?
C7 C12 K1 75.2(3) . . ?
C16 C12 K1 116.5(4) . . ?
C8 C13 C15 110.1(5) . . ?
C8 C13 C14 113.9(5) . . ?
C15 C13 C14 110.5(5) . . ?
C8 C13 H13 107.3 . . ?
C15 C13 H13 107.3 . . ?
C14 C13 H13 107.3 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C16 C18 115.1(5) . . ?
C12 C16 C17 111.5(5) . . ?
C18 C16 C17 108.1(5) . . ?
C12 C16 H16 107.3 . . ?
C18 C16 H16 107.3 . . ?
C17 C16 H16 107.3 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C24 C19 C20 122.2(5) . . ?
C24 C19 N2 119.5(4) . . ?
C20 C19 N2 118.3(5) . . ?
C21 C20 C19 117.7(5) . . ?
C21 C20 C25 120.5(5) . . ?
C19 C20 C25 121.7(5) . . ?
C22 C21 C20 120.2(5) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 121.2(5) . . ?
C21 C22 H22 119.4 . . ?
C23 C22 H22 119.4 . . ?
C22 C23 C24 120.7(5) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C23 C24 C19 118.0(5) . . ?
C23 C24 C28 120.4(5) . . ?
C19 C24 C28 121.6(5) . . ?
C27 C25 C20 111.3(5) . . ?
C27 C25 C26 110.4(5) . . ?
C20 C25 C26 113.2(5) . . ?
C27 C25 H25 107.2 . . ?
C20 C25 H25 107.2 . . ?
C26 C25 H25 107.2 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C30 C28 C29 110.5(5) . . ?
C30 C28 C24 111.2(5) . . ?
C29 C28 C24 114.1(5) . . ?
C30 C28 H28 106.9 . . ?
C29 C28 H28 106.9 . . ?
C24 C28 H28 106.9 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si2 C31 H31A 109.5 . . ?
Si2 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si2 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si2 C32 H32A 109.5 . . ?
Si2 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si2 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si2 C33 H33A 109.5 . . ?
Si2 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si2 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si3 C34 H34A 109.5 . . ?
Si3 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
Si3 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si3 C35 H35A 109.5 . . ?
Si3 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
Si3 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si3 C36 H36A 109.5 . . ?
Si3 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
Si3 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si4 C37 K1 154.3(3) . 2_677 ?
Si4 C37 H37A 109.5 . . ?
K1 C37 H37A 79.9 2_677 . ?
Si4 C37 H37B 109.5 . . ?
K1 C37 H37B 88.5 2_677 . ?
H37A C37 H37B 109.5 . . ?
Si4 C37 H37C 109.5 . . ?
K1 C37 H37C 45.6 2_677 . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si4 C38 H38A 109.5 . . ?
Si4 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si4 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Si4 C39 H39A 109.5 . . ?
Si4 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
Si4 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si6 C40 H40A 109.5 . . ?
Si6 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si6 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si6 C41 H41A 109.5 . . ?
Si6 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si6 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si6 C42 H42A 109.5 . . ?
Si6 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si6 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Si7 C43 H43A 109.5 . . ?
Si7 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
Si7 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
Si7 C44 H44A 109.5 . . ?
Si7 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
Si7 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
Si7 C45 H45A 109.5 . . ?
Si7 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
Si7 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
Si8 C46 H46A 109.5 . . ?
Si8 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
Si8 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
Si8 C47 H47A 109.5 . . ?
Si8 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
Si8 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
Si8 C48 H48A 109.5 . . ?
Si8 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
Si8 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C54 C49 C50 119.1(6) . . ?
C54 C49 C55 119.5(6) . . ?
C50 C49 C55 121.4(6) . . ?
C51 C50 C49 119.6(6) . . ?
C51 C50 H50 120.2 . . ?
C49 C50 H50 120.2 . . ?
C52 C51 C50 121.2(6) . . ?
C52 C51 H51 119.4 . . ?
C50 C51 H51 119.4 . . ?
C51 C52 C53 118.9(6) . . ?
C51 C52 H52 120.6 . . ?
C53 C52 H52 120.6 . . ?
C52 C53 C54 120.9(6) . . ?
C52 C53 H53 119.6 . . ?
C54 C53 H53 119.6 . . ?
C49 C54 C53 120.3(6) . . ?
C49 C54 H54 119.9 . . ?
C53 C54 H54 119.9 . . ?
C49 C55 H55A 109.5 . . ?
C49 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C49 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C61 C56 C57 117.9(9) . . ?
C61 C56 C62 121.8(10) . . ?
C57 C56 C62 120.3(9) . . ?
C58 C57 C56 119.3(9) . . ?
C58 C57 H57 120.3 . . ?
C56 C57 H57 120.3 . . ?
C57 C58 C59 125.5(12) . . ?
C57 C58 H58 117.2 . . ?
C59 C58 H58 117.2 . . ?
C58 C59 C60 113.5(12) . . ?
C58 C59 H59 123.3 . . ?
C60 C59 H59 123.3 . . ?
C61 C60 C59 122.9(10) . . ?
C61 C60 H60 118.5 . . ?
C59 C60 H60 118.5 . . ?
C56 C61 C60 120.8(9) . . ?
C56 C61 H61 119.6 . . ?
C60 C61 H61 119.6 . . ?
C56 C62 H62A 109.5 . . ?
C56 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C56 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?

_refine_diff_density_max         0.777
_refine_diff_density_min         -0.605
_refine_diff_density_rms         0.112


