# Electronic Supplementary Material (ESI) for ChemComm.
# 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_OT422_2
_database_code_depnum_ccdc_archive 'CCDC 2087498'
loop_
_audit_author_name
_audit_author_address
'Jose Goicoechea'
;University of Oxford
United Kingdom
;
_audit_update_record             
;
2021-06-22 deposited with the CCDC.	2021-06-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        
;
 [K(2,2,2-crypt)]2Ni[Ge9{Si(SiMe3)}3]2*2THF
;
_contact_author_fax              '+44 1865 272690'
_chemical_name_common            .
_chemical_melting_point          .
_chemical_formula_moiety         
'C54 H162 Ge18 Ni Si24, 2(C18 H36 K N2 O6), 2(C4 H8 O)'
_chemical_formula_sum            'C98 H250 Ge18 K2 N4 Ni O14 Si24'
_chemical_formula_weight         3826.69

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni -3.0029 0.5091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.3868 1.0657 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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                   15.6461(3)
_cell_length_b                   16.2709(4)
_cell_length_c                   18.7924(3)
_cell_angle_alpha                85.101(2)
_cell_angle_beta                 69.035(2)
_cell_angle_gamma                82.861(2)
_cell_volume                     4428.43(17)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    24710
_cell_measurement_theta_min      3.6040
_cell_measurement_theta_max      75.9880

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    .
_exptl_crystal_density_diffrn    1.435
_exptl_crystal_F_000             1956
_exptl_transmission_factor_min   .
_exptl_transmission_factor_max   .
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    5.785
_shelx_estimated_absorpt_T_min   0.422
_shelx_estimated_absorpt_T_max   0.655
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.84300
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.81a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   .

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Atlas
_diffrn_detector_area_resol_mean 10.4102
_diffrn_reflns_number            55057
_diffrn_reflns_av_unetI/netI     0.0451
_diffrn_reflns_av_R_equivalents  0.0366
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         3.196
_diffrn_reflns_theta_max         76.197
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             18293
_reflns_number_gt                15053
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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       'CrysAlisPro 1.171.41.81a (Rigaku OD, 2020)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.81a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.81a (Rigaku OD, 2020)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    .
_computing_publication_material  .
_refine_special_details          .

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0345P)²+1.6066P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     .
_atom_sites_solution_secondary   .
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         18293
_refine_ls_number_parameters     754
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0317
_refine_ls_wR_factor_ref         0.0837
_refine_ls_wR_factor_gt          0.0753
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.055
_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
Ni1 Ni 0.500000 0.500000 0.000000 0.02677(13) Uani 1 2 d S . P . .
Ge1 Ge 0.46748(2) 0.70525(2) 0.22167(2) 0.03028(7) Uani 1 1 d . . . . .
Ge2 Ge 0.44988(2) 0.55651(2) 0.29547(2) 0.03111(7) Uani 1 1 d . . . . .
Ge3 Ge 0.30605(2) 0.64496(2) 0.27711(2) 0.03163(7) Uani 1 1 d . . . . .
Ge4 Ge 0.37318(2) 0.69441(2) 0.13763(2) 0.02920(7) Uani 1 1 d . . . . .
Ge5 Ge 0.57347(2) 0.57746(2) 0.16493(2) 0.02828(7) Uani 1 1 d . . . . .
Ge6 Ge 0.35413(2) 0.49707(2) 0.23067(2) 0.02853(7) Uani 1 1 d . . . . .
Ge7 Ge 0.52596(2) 0.62427(2) 0.05058(2) 0.02637(7) Uani 1 1 d . . . . .
Ge8 Ge 0.50889(2) 0.46054(2) 0.12532(2) 0.02638(7) Uani 1 1 d . . . . .
Ge9 Ge 0.35735(2) 0.55275(2) 0.09814(2) 0.02620(7) Uani 1 1 d . . . . .
Si1 Si 0.30339(5) 0.82513(5) 0.10865(4) 0.02754(14) Uani 1 1 d . . . . .
Si2 Si 0.39523(5) 0.86702(5) -0.01421(4) 0.03298(15) Uani 1 1 d . . . . .
Si3 Si 0.15564(6) 0.80437(6) 0.11251(5) 0.04127(18) Uani 1 1 d . . . . .
Si4 Si 0.29303(6) 0.92319(5) 0.19691(5) 0.03974(18) Uani 1 1 d . . . . .
C1 C 0.5127(2) 0.8803(2) -0.0143(2) 0.0472(8) Uani 1 1 d . . . . .
H1A H 0.539706 0.827656 0.001865 0.071 Uiso 1 1 calc R U . . .
H1B H 0.507738 0.922998 0.021115 0.071 Uiso 1 1 calc R U . . .
H1C H 0.551959 0.897017 -0.065787 0.071 Uiso 1 1 calc R U . . .
C2 C 0.4082(3) 0.7856(3) -0.08312(18) 0.0505(8) Uani 1 1 d . . . . .
H2A H 0.451156 0.801600 -0.133468 0.076 Uiso 1 1 calc R U . . .
H2B H 0.348216 0.780251 -0.086705 0.076 Uiso 1 1 calc R U . . .
H2C H 0.432102 0.732472 -0.065250 0.076 Uiso 1 1 calc R U . . .
C3 C 0.3442(3) 0.9668(2) -0.0477(2) 0.0492(8) Uani 1 1 d . . . . .
H3A H 0.382930 0.981407 -0.100050 0.074 Uiso 1 1 calc R U . . .
H3B H 0.340701 1.011059 -0.014238 0.074 Uiso 1 1 calc R U . . .
H3C H 0.282219 0.960007 -0.046349 0.074 Uiso 1 1 calc R U . . .
C4 C 0.1017(4) 0.7300(5) 0.1925(4) 0.108(3) Uani 1 1 d . . . . .
H4A H 0.041296 0.720408 0.192117 0.161 Uiso 1 1 calc R U . . .
H4B H 0.094463 0.753065 0.241058 0.161 Uiso 1 1 calc R U . . .
H4C H 0.141110 0.677388 0.186370 0.161 Uiso 1 1 calc R U . . .
C5 C 0.1638(3) 0.7635(4) 0.0200(3) 0.0777(16) Uani 1 1 d . . . . .
H5A H 0.209676 0.715135 0.007855 0.117 Uiso 1 1 calc R U . . .
H5B H 0.182124 0.806670 -0.020681 0.117 Uiso 1 1 calc R U . . .
H5C H 0.103786 0.747348 0.024241 0.117 Uiso 1 1 calc R U . . .
C6 C 0.0759(3) 0.9025(4) 0.1261(4) 0.0816(16) Uani 1 1 d . . . . .
H6A H 0.100738 0.942012 0.083326 0.122 Uiso 1 1 calc R U . . .
H6B H 0.069930 0.926566 0.173873 0.122 Uiso 1 1 calc R U . . .
H6C H 0.015299 0.890153 0.128091 0.122 Uiso 1 1 calc R U . . .
C7 C 0.2324(4) 1.0237(3) 0.1736(3) 0.0683(12) Uani 1 1 d . . . . .
H7A H 0.170695 1.014353 0.176203 0.102 Uiso 1 1 calc R U . . .
H7B H 0.267538 1.044186 0.122116 0.102 Uiso 1 1 calc R U . . .
H7C H 0.227576 1.064720 0.210501 0.102 Uiso 1 1 calc R U . . .
C8 C 0.4082(3) 0.9460(3) 0.1971(3) 0.0588(10) Uani 1 1 d . . . . .
H8A H 0.398884 0.983821 0.237694 0.088 Uiso 1 1 calc R U . . .
H8B H 0.442596 0.971910 0.147695 0.088 Uiso 1 1 calc R U . . .
H8C H 0.442928 0.894227 0.205919 0.088 Uiso 1 1 calc R U . . .
C9 C 0.2259(3) 0.8865(3) 0.2964(2) 0.0631(11) Uani 1 1 d . . . . .
H9A H 0.257587 0.835058 0.309798 0.095 Uiso 1 1 calc R U . . .
H9B H 0.164266 0.876363 0.299342 0.095 Uiso 1 1 calc R U . . .
H9C H 0.220763 0.928986 0.332102 0.095 Uiso 1 1 calc R U . . .
C10 C 0.8411(3) 0.6108(3) 0.2833(2) 0.0592(11) Uani 1 1 d . . . . .
H10A H 0.850812 0.668688 0.266286 0.089 Uiso 1 1 calc R U . . .
H10B H 0.889515 0.574058 0.248437 0.089 Uiso 1 1 calc R U . . .
H10C H 0.842980 0.601214 0.334890 0.089 Uiso 1 1 calc R U . . .
Si5 Si 0.72654(4) 0.58455(5) 0.15912(4) 0.02562(13) Uani 1 1 d . . . . .
Si6 Si 0.72594(5) 0.58897(5) 0.28360(4) 0.03116(15) Uani 1 1 d . . . . .
Si7 Si 0.81334(5) 0.46410(5) 0.10254(4) 0.03123(15) Uani 1 1 d . . . . .
Si8 Si 0.78128(6) 0.70560(6) 0.08966(4) 0.03651(17) Uani 1 1 d . . . . .
C11 C 0.6966(4) 0.4882(3) 0.3380(2) 0.0599(11) Uani 1 1 d . . . . .
H11A H 0.688443 0.493897 0.391624 0.090 Uiso 1 1 calc R U . . .
H11B H 0.746582 0.444762 0.316308 0.090 Uiso 1 1 calc R U . . .
H11C H 0.639506 0.473173 0.334606 0.090 Uiso 1 1 calc R U . . .
C12 C 0.6390(2) 0.6728(2) 0.33620(18) 0.0451(7) Uani 1 1 d . . . . .
H12A H 0.577573 0.661719 0.339380 0.068 Uiso 1 1 calc R U . . .
H12B H 0.653383 0.726337 0.309039 0.068 Uiso 1 1 calc R U . . .
H12C H 0.640515 0.674308 0.387760 0.068 Uiso 1 1 calc R U . . .
C13 C 0.9286(2) 0.4504(3) 0.1143(2) 0.0549(9) Uani 1 1 d . . . . .
H13A H 0.965342 0.402065 0.086838 0.082 Uiso 1 1 calc R U . . .
H13B H 0.919986 0.441877 0.168630 0.082 Uiso 1 1 calc R U . . .
H13C H 0.960476 0.500024 0.093731 0.082 Uiso 1 1 calc R U . . .
C14 C 0.7519(2) 0.3711(2) 0.14957(19) 0.0439(7) Uani 1 1 d . . . . .
H14A H 0.693643 0.374111 0.140507 0.066 Uiso 1 1 calc R U . . .
H14B H 0.739503 0.370026 0.204567 0.066 Uiso 1 1 calc R U . . .
H14C H 0.790419 0.320573 0.128208 0.066 Uiso 1 1 calc R U . . .
C15 C 0.8299(3) 0.4708(3) -0.00132(18) 0.0509(8) Uani 1 1 d . . . . .
H15A H 0.867453 0.421030 -0.025490 0.076 Uiso 1 1 calc R U . . .
H15B H 0.861072 0.519958 -0.025460 0.076 Uiso 1 1 calc R U . . .
H15C H 0.769873 0.474866 -0.007446 0.076 Uiso 1 1 calc R U . . .
C16 C 0.9050(3) 0.7103(4) 0.0781(3) 0.0726(14) Uani 1 1 d . . . . .
H16A H 0.942491 0.662191 0.050774 0.109 Uiso 1 1 calc R U . . .
H16B H 0.910459 0.709989 0.128465 0.109 Uiso 1 1 calc R U . . .
H16C H 0.926528 0.761309 0.049000 0.109 Uiso 1 1 calc R U . . .
C17 C 0.7740(4) 0.7109(4) -0.0079(2) 0.0710(14) Uani 1 1 d . . . . .
H17A H 0.712404 0.699574 -0.004057 0.106 Uiso 1 1 calc R U . . .
H17B H 0.819934 0.669577 -0.039279 0.106 Uiso 1 1 calc R U . . .
H17C H 0.785910 0.766387 -0.031541 0.106 Uiso 1 1 calc R U . . .
C18 C 0.7127(4) 0.7994(3) 0.1395(3) 0.0788(16) Uani 1 1 d . . . . .
H18A H 0.736749 0.849342 0.109859 0.118 Uiso 1 1 calc R U . . .
H18B H 0.717018 0.799240 0.190258 0.118 Uiso 1 1 calc R U . . .
H18C H 0.648152 0.799027 0.144581 0.118 Uiso 1 1 calc R U . . .
Si9 Si 0.24666(4) 0.40590(5) 0.31013(3) 0.02542(13) Uani 1 1 d . . . . .
Si10 Si 0.23786(6) 0.40883(5) 0.43715(4) 0.03422(16) Uani 1 1 d . . . . .
Si11 Si 0.29538(6) 0.27096(5) 0.26866(4) 0.03748(17) Uani 1 1 d . . . . .
Si12 Si 0.10246(5) 0.45313(6) 0.30221(4) 0.03854(18) Uani 1 1 d . . . . .
C19 C 0.3524(3) 0.3785(3) 0.4475(2) 0.0564(9) Uani 1 1 d . . . . .
H19A H 0.397402 0.414235 0.413439 0.085 Uiso 1 1 calc R U . . .
H19B H 0.372642 0.320587 0.434202 0.085 Uiso 1 1 calc R U . . .
H19C H 0.346989 0.384786 0.500418 0.085 Uiso 1 1 calc R U . . .
C20 C 0.1557(3) 0.3335(2) 0.49769(17) 0.0485(8) Uani 1 1 d . . . . .
H20A H 0.152385 0.333986 0.550739 0.073 Uiso 1 1 calc R U . . .
H20B H 0.177604 0.277632 0.478865 0.073 Uiso 1 1 calc R U . . .
H20C H 0.094511 0.349819 0.494944 0.073 Uiso 1 1 calc R U . . .
C21 C 0.1939(3) 0.5135(2) 0.47694(19) 0.0537(9) Uani 1 1 d . . . . .
H21A H 0.197763 0.513606 0.527853 0.081 Uiso 1 1 calc R U . . .
H21B H 0.129721 0.526567 0.480472 0.081 Uiso 1 1 calc R U . . .
H21C H 0.231237 0.555156 0.443381 0.081 Uiso 1 1 calc R U . . .
C22 C 0.4090(3) 0.2363(3) 0.2808(2) 0.0568(9) Uani 1 1 d . . . . .
H22A H 0.430947 0.180474 0.261682 0.085 Uiso 1 1 calc R U . . .
H22B H 0.401198 0.235459 0.334948 0.085 Uiso 1 1 calc R U . . .
H22C H 0.454018 0.274783 0.252009 0.085 Uiso 1 1 calc R U . . .
C23 C 0.2123(3) 0.1938(3) 0.3250(2) 0.0606(11) Uani 1 1 d . . . . .
H23A H 0.155648 0.204404 0.313237 0.091 Uiso 1 1 calc R U . . .
H23B H 0.197900 0.199524 0.379643 0.091 Uiso 1 1 calc R U . . .
H23C H 0.240425 0.137396 0.311208 0.091 Uiso 1 1 calc R U . . .
C24 C 0.3095(4) 0.2684(3) 0.16579(19) 0.0612(11) Uani 1 1 d . . . . .
H24A H 0.353608 0.307079 0.135651 0.092 Uiso 1 1 calc R U . . .
H24B H 0.249964 0.284698 0.159647 0.092 Uiso 1 1 calc R U . . .
H24C H 0.332200 0.212196 0.148131 0.092 Uiso 1 1 calc R U . . .
C25 C 0.0150(3) 0.3778(3) 0.3514(3) 0.0643(11) Uani 1 1 d . . . . .
H25A H -0.043267 0.397601 0.344177 0.096 Uiso 1 1 calc R U . . .
H25B H 0.005271 0.373274 0.405995 0.096 Uiso 1 1 calc R U . . .
H25C H 0.037405 0.323253 0.329531 0.096 Uiso 1 1 calc R U . . .
C26 C 0.1132(3) 0.4653(4) 0.1998(2) 0.0647(13) Uani 1 1 d . . . . .
H26A H 0.126940 0.410604 0.177837 0.097 Uiso 1 1 calc R U . . .
H26B H 0.163106 0.499593 0.172030 0.097 Uiso 1 1 calc R U . . .
H26C H 0.055326 0.492015 0.195899 0.097 Uiso 1 1 calc R U . . .
C27 C 0.0572(3) 0.5548(3) 0.3496(3) 0.0596(10) Uani 1 1 d . . . . .
H27A H 0.105643 0.592531 0.332219 0.089 Uiso 1 1 calc R U . . .
H27B H 0.038255 0.545441 0.405052 0.089 Uiso 1 1 calc R U . . .
H27C H 0.004302 0.579502 0.336175 0.089 Uiso 1 1 calc R U . . .
K101 K 0.73300(4) 0.08261(4) 0.41833(4) 0.03576(12) Uani 1 1 d . . . . .
N101 N 0.65690(18) 0.24387(17) 0.48468(14) 0.0357(5) Uani 1 1 d . . . . .
N102 N 0.8015(2) -0.08764(18) 0.35917(18) 0.0458(6) Uani 1 1 d . . . . .
O101 O 0.59466(16) 0.09046(16) 0.56951(13) 0.0445(5) Uani 1 1 d . . . . .
O102 O 0.63751(18) -0.06165(15) 0.49760(14) 0.0474(6) Uani 1 1 d . . . . .
O103 O 0.85020(16) 0.18047(16) 0.44930(12) 0.0415(5) Uani 1 1 d . . . . .
O104 O 0.90963(16) 0.01165(17) 0.41745(15) 0.0487(6) Uani 1 1 d . . . . .
O105 O 0.62702(16) 0.19311(14) 0.34770(11) 0.0375(4) Uani 1 1 d . . . . .
O106 O 0.72499(18) 0.04572(15) 0.27909(13) 0.0436(5) Uani 1 1 d . . . . .
C101 C 0.6086(2) 0.2346(2) 0.56760(17) 0.0440(7) Uani 1 1 d . . . . .
H10D H 0.573499 0.288174 0.586308 0.053 Uiso 1 1 calc R U . . .
H10E H 0.654783 0.221443 0.592756 0.053 Uiso 1 1 calc R U . . .
C102 C 0.5440(2) 0.1686(2) 0.59047(18) 0.0446(7) Uani 1 1 d . . . . .
H10F H 0.510691 0.168058 0.646278 0.053 Uiso 1 1 calc R U . . .
H10G H 0.498193 0.180202 0.564809 0.053 Uiso 1 1 calc R U . . .
C103 C 0.5362(3) 0.0260(3) 0.5945(2) 0.0518(8) Uani 1 1 d . . . . .
H10H H 0.491687 0.031896 0.567407 0.062 Uiso 1 1 calc R U . . .
H10I H 0.501183 0.029132 0.649840 0.062 Uiso 1 1 calc R U . . .
C104 C 0.5931(3) -0.0557(3) 0.5784(2) 0.0579(10) Uani 1 1 d . . . . .
H10J H 0.639844 -0.060380 0.603201 0.069 Uiso 1 1 calc R U . . .
H10K H 0.553528 -0.101324 0.599306 0.069 Uiso 1 1 calc R U . . .
C105 C 0.6886(3) -0.1395(2) 0.4811(2) 0.0550(9) Uani 1 1 d . . . . .
H10L H 0.647615 -0.184015 0.502823 0.066 Uiso 1 1 calc R U . . .
H10M H 0.736732 -0.146118 0.504447 0.066 Uiso 1 1 calc R U . . .
C106 C 0.7328(3) -0.1465(2) 0.3957(2) 0.0511(8) Uani 1 1 d . . . . .
H10N H 0.762745 -0.203598 0.384725 0.061 Uiso 1 1 calc R U . . .
H10O H 0.684153 -0.137139 0.372842 0.061 Uiso 1 1 calc R U . . .
C107 C 0.7335(2) 0.2950(2) 0.46999(19) 0.0431(7) Uani 1 1 d . . . . .
H10P H 0.709791 0.346308 0.498512 0.052 Uiso 1 1 calc R U . . .
H10Q H 0.757478 0.311215 0.414974 0.052 Uiso 1 1 calc R U . . .
C108 C 0.8118(2) 0.2514(2) 0.49254(18) 0.0431(7) Uani 1 1 d . . . . .
H10R H 0.859642 0.289587 0.483512 0.052 Uiso 1 1 calc R U . . .
H10S H 0.788888 0.234951 0.547540 0.052 Uiso 1 1 calc R U . . .
C109 C 0.9244(3) 0.1375(3) 0.4677(2) 0.0501(8) Uani 1 1 d . . . . .
H10T H 0.901475 0.111788 0.519835 0.060 Uiso 1 1 calc R U . . .
H10U H 0.968794 0.176659 0.466128 0.060 Uiso 1 1 calc R U . . .
C110 C 0.9712(2) 0.0715(3) 0.4109(2) 0.0517(8) Uani 1 1 d . . . . .
H11D H 0.991103 0.097066 0.358558 0.062 Uiso 1 1 calc R U . . .
H11E H 1.026530 0.044222 0.420464 0.062 Uiso 1 1 calc R U . . .
C111 C 0.9496(3) -0.0488(3) 0.3614(3) 0.0610(10) Uani 1 1 d . . . . .
H11F H 1.009500 -0.073548 0.364150 0.073 Uiso 1 1 calc R U . . .
H11G H 0.960791 -0.022053 0.309956 0.073 Uiso 1 1 calc R U . . .
C112 C 0.8865(3) -0.1156(3) 0.3743(3) 0.0598(10) Uani 1 1 d . . . . .
H11H H 0.919992 -0.161811 0.341015 0.072 Uiso 1 1 calc R U . . .
H11I H 0.870177 -0.137242 0.427867 0.072 Uiso 1 1 calc R U . . .
C113 C 0.5920(2) 0.2862(2) 0.44891(19) 0.0442(7) Uani 1 1 d . . . . .
H11J H 0.582083 0.345899 0.459603 0.053 Uiso 1 1 calc R U . . .
H11K H 0.532013 0.263112 0.472434 0.053 Uiso 1 1 calc R U . . .
C114 C 0.6254(3) 0.2774(2) 0.36362(19) 0.0449(7) Uani 1 1 d . . . . .
H11L H 0.583985 0.312981 0.341777 0.054 Uiso 1 1 calc R U . . .
H11M H 0.687935 0.295533 0.339909 0.054 Uiso 1 1 calc R U . . .
C115 C 0.6603(2) 0.1843(2) 0.26728(16) 0.0407(7) Uani 1 1 d . . . . .
H11N H 0.723204 0.201787 0.244433 0.049 Uiso 1 1 calc R U . . .
H11O H 0.620067 0.220111 0.244404 0.049 Uiso 1 1 calc R U . . .
C116 C 0.6615(3) 0.0956(2) 0.25095(18) 0.0452(7) Uani 1 1 d . . . . .
H11P H 0.599204 0.077187 0.275949 0.054 Uiso 1 1 calc R U . . .
H11Q H 0.679920 0.089741 0.195298 0.054 Uiso 1 1 calc R U . . .
C117 C 0.7425(3) -0.0363(2) 0.2537(2) 0.0527(9) Uani 1 1 d . . . . .
H11R H 0.759897 -0.035212 0.197592 0.063 Uiso 1 1 calc R U . . .
H11S H 0.686404 -0.065538 0.276908 0.063 Uiso 1 1 calc R U . . .
C118 C 0.8199(3) -0.0813(2) 0.2768(2) 0.0536(9) Uani 1 1 d . . . . .
H11T H 0.833301 -0.137955 0.257461 0.064 Uiso 1 1 calc R U . . .
H11U H 0.875776 -0.052229 0.251587 0.064 Uiso 1 1 calc R U . . .
O107 O 0.8901(3) 0.1543(3) 0.2573(2) 0.0843(11) Uani 1 1 d . . . . .
C119 C 0.9253(4) 0.2317(4) 0.2560(3) 0.0716(12) Uani 1 1 d . . . . .
H11V H 0.932193 0.239525 0.305236 0.086 Uiso 1 1 calc R U . . .
H11W H 0.883981 0.278504 0.245546 0.086 Uiso 1 1 calc R U . . .
C120 C 1.0158(4) 0.2257(4) 0.1936(3) 0.0777(14) Uani 1 1 d . . . . .
H12D H 1.064080 0.195725 0.211330 0.093 Uiso 1 1 calc R U . . .
H12E H 1.034088 0.281368 0.172553 0.093 Uiso 1 1 calc R U . . .
C121 C 0.9993(5) 0.1773(5) 0.1349(3) 0.0930(19) Uani 1 1 d . . . . .
H12F H 0.981103 0.215333 0.097540 0.112 Uiso 1 1 calc R U . . .
H12G H 1.055273 0.141330 0.107138 0.112 Uiso 1 1 calc R U . . .
C122 C 0.9256(5) 0.1283(5) 0.1787(3) 0.0888(17) Uani 1 1 d . . . . .
H12H H 0.948738 0.068778 0.177175 0.107 Uiso 1 1 calc R U . . .
H12I H 0.876009 0.136409 0.156947 0.107 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
Ni1 Ge8 2.4355(3) 2_665 ?
Ni1 Ge8 2.4356(3) . ?
Ni1 Ge7 2.4424(3) . ?
Ni1 Ge7 2.4425(3) 2_665 ?
Ni1 Ge9 2.4430(3) 2_665 ?
Ni1 Ge9 2.4430(3) . ?
Ge1 Ge5 2.5430(5) . ?
Ge1 Ge4 2.5459(5) . ?
Ge1 Ge3 2.6430(5) . ?
Ge1 Ge2 2.6787(5) . ?
Ge2 Ge5 2.5495(4) . ?
Ge2 Ge6 2.5553(4) . ?
Ge2 Ge3 2.6306(5) . ?
Ge3 Ge4 2.5497(4) . ?
Ge3 Ge6 2.5606(5) . ?
Ge4 Si1 2.3796(8) . ?
Ge4 Ge9 2.5476(5) . ?
Ge4 Ge7 2.5565(4) . ?
Ge5 Si5 2.3749(7) . ?
Ge5 Ge8 2.5401(4) . ?
Ge5 Ge7 2.5443(4) . ?
Ge6 Si9 2.3881(7) . ?
Ge6 Ge8 2.5590(4) . ?
Ge6 Ge9 2.5616(4) . ?
Ge7 Ge9 2.8303(4) . ?
Ge7 Ge8 2.9000(4) . ?
Ge8 Ge9 2.8258(4) . ?
Si1 Si2 2.3368(10) . ?
Si1 Si4 2.3492(10) . ?
Si1 Si3 2.3523(11) . ?
Si2 C2 1.873(4) . ?
Si2 C1 1.876(4) . ?
Si2 C3 1.880(4) . ?
Si3 C4 1.863(6) . ?
Si3 C5 1.871(5) . ?
Si3 C6 1.876(5) . ?
Si4 C9 1.875(4) . ?
Si4 C7 1.885(4) . ?
Si4 C8 1.885(4) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 Si6 1.877(4) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
Si5 Si7 2.3402(10) . ?
Si5 Si6 2.3432(9) . ?
Si5 Si8 2.3445(11) . ?
Si6 C12 1.869(3) . ?
Si6 C11 1.874(4) . ?
Si7 C15 1.870(3) . ?
Si7 C14 1.876(4) . ?
Si7 C13 1.878(4) . ?
Si8 C18 1.865(5) . ?
Si8 C17 1.872(4) . ?
Si8 C16 1.880(4) . ?
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 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
Si9 Si11 2.3367(11) . ?
Si9 Si12 2.3436(11) . ?
Si9 Si10 2.3455(9) . ?
Si10 C21 1.868(4) . ?
Si10 C19 1.872(4) . ?
Si10 C20 1.885(3) . ?
Si11 C24 1.869(4) . ?
Si11 C22 1.884(4) . ?
Si11 C23 1.892(4) . ?
Si12 C26 1.865(4) . ?
Si12 C27 1.882(4) . ?
Si12 C25 1.884(4) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
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 . ?
K101 O106 2.783(2) . ?
K101 O103 2.808(2) . ?
K101 O104 2.855(3) . ?
K101 O105 2.858(2) . ?
K101 O101 2.892(2) . ?
K101 N101 2.929(3) . ?
K101 O102 2.940(2) . ?
K101 N102 2.999(3) . ?
K101 O107 3.368(4) . ?
N101 C101 1.472(4) . ?
N101 C107 1.476(4) . ?
N101 C113 1.481(5) . ?
N102 C118 1.467(5) . ?
N102 C112 1.469(5) . ?
N102 C106 1.470(5) . ?
O101 C103 1.417(5) . ?
O101 C102 1.418(4) . ?
O102 C105 1.406(4) . ?
O102 C104 1.433(5) . ?
O103 C108 1.412(4) . ?
O103 C109 1.415(5) . ?
O104 C111 1.421(5) . ?
O104 C110 1.422(5) . ?
O105 C114 1.424(4) . ?
O105 C115 1.425(3) . ?
O106 C117 1.417(4) . ?
O106 C116 1.424(5) . ?
C101 C102 1.496(5) . ?
C101 H10D 0.9900 . ?
C101 H10E 0.9900 . ?
C102 H10F 0.9900 . ?
C102 H10G 0.9900 . ?
C103 C104 1.493(6) . ?
C103 H10H 0.9900 . ?
C103 H10I 0.9900 . ?
C104 H10J 0.9900 . ?
C104 H10K 0.9900 . ?
C105 C106 1.511(6) . ?
C105 H10L 0.9900 . ?
C105 H10M 0.9900 . ?
C106 H10N 0.9900 . ?
C106 H10O 0.9900 . ?
C107 C108 1.512(5) . ?
C107 H10P 0.9900 . ?
C107 H10Q 0.9900 . ?
C108 H10R 0.9900 . ?
C108 H10S 0.9900 . ?
C109 C110 1.507(6) . ?
C109 H10T 0.9900 . ?
C109 H10U 0.9900 . ?
C110 H11D 0.9900 . ?
C110 H11E 0.9900 . ?
C111 C112 1.505(6) . ?
C111 H11F 0.9900 . ?
C111 H11G 0.9900 . ?
C112 H11H 0.9900 . ?
C112 H11I 0.9900 . ?
C113 C114 1.511(5) . ?
C113 H11J 0.9900 . ?
C113 H11K 0.9900 . ?
C114 H11L 0.9900 . ?
C114 H11M 0.9900 . ?
C115 C116 1.498(5) . ?
C115 H11N 0.9900 . ?
C115 H11O 0.9900 . ?
C116 H11P 0.9900 . ?
C116 H11Q 0.9900 . ?
C117 C118 1.514(6) . ?
C117 H11R 0.9900 . ?
C117 H11S 0.9900 . ?
C118 H11T 0.9900 . ?
C118 H11U 0.9900 . ?
O107 C119 1.431(7) . ?
O107 C122 1.460(7) . ?
C119 C120 1.479(7) . ?
C119 H11V 0.9900 . ?
C119 H11W 0.9900 . ?
C120 C121 1.519(9) . ?
C120 H12D 0.9900 . ?
C120 H12E 0.9900 . ?
C121 C122 1.442(8) . ?
C121 H12F 0.9900 . ?
C121 H12G 0.9900 . ?
C122 H12H 0.9900 . ?
C122 H12I 0.9900 . ?

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
Ge8 Ni1 Ge8 180.0 2_665 . ?
Ge8 Ni1 Ge7 107.044(10) 2_665 . ?
Ge8 Ni1 Ge7 72.956(10) . . ?
Ge8 Ni1 Ge7 72.955(10) 2_665 2_665 ?
Ge8 Ni1 Ge7 107.044(10) . 2_665 ?
Ge7 Ni1 Ge7 179.999(13) . 2_665 ?
Ge8 Ni1 Ge9 70.791(10) 2_665 2_665 ?
Ge8 Ni1 Ge9 109.209(10) . 2_665 ?
Ge7 Ni1 Ge9 109.195(10) . 2_665 ?
Ge7 Ni1 Ge9 70.805(10) 2_665 2_665 ?
Ge8 Ni1 Ge9 109.208(10) 2_665 . ?
Ge8 Ni1 Ge9 70.792(10) . . ?
Ge7 Ni1 Ge9 70.807(10) . . ?
Ge7 Ni1 Ge9 109.193(10) 2_665 . ?
Ge9 Ni1 Ge9 180.0 2_665 . ?
Ge5 Ge1 Ge4 91.146(14) . . ?
Ge5 Ge1 Ge3 101.355(15) . . ?
Ge4 Ge1 Ge3 58.825(12) . . ?
Ge5 Ge1 Ge2 58.383(12) . . ?
Ge4 Ge1 Ge2 99.952(15) . . ?
Ge3 Ge1 Ge2 59.245(12) . . ?
Ge5 Ge2 Ge6 89.080(13) . . ?
Ge5 Ge2 Ge3 101.521(15) . . ?
Ge6 Ge2 Ge3 59.156(13) . . ?
Ge5 Ge2 Ge1 58.146(12) . . ?
Ge6 Ge2 Ge1 98.922(15) . . ?
Ge3 Ge2 Ge1 59.703(12) . . ?
Ge4 Ge3 Ge6 86.946(13) . . ?
Ge4 Ge3 Ge2 101.147(14) . . ?
Ge6 Ge3 Ge2 58.957(13) . . ?
Ge4 Ge3 Ge1 58.687(12) . . ?
Ge6 Ge3 Ge1 99.721(14) . . ?
Ge2 Ge3 Ge1 61.052(13) . . ?
Si1 Ge4 Ge1 112.88(2) . . ?
Si1 Ge4 Ge9 127.25(2) . . ?
Ge1 Ge4 Ge9 119.821(16) . . ?
Si1 Ge4 Ge3 113.99(2) . . ?
Ge1 Ge4 Ge3 62.489(13) . . ?
Ge9 Ge4 Ge3 89.321(15) . . ?
Si1 Ge4 Ge7 124.33(2) . . ?
Ge1 Ge4 Ge7 82.104(13) . . ?
Ge9 Ge4 Ge7 67.354(12) . . ?
Ge3 Ge4 Ge7 119.975(16) . . ?
Si5 Ge5 Ge8 128.16(2) . . ?
Si5 Ge5 Ge1 112.22(2) . . ?
Ge8 Ge5 Ge1 119.611(15) . . ?
Si5 Ge5 Ge7 120.67(2) . . ?
Ge8 Ge5 Ge7 69.553(12) . . ?
Ge1 Ge5 Ge7 82.401(14) . . ?
Si5 Ge5 Ge2 118.22(2) . . ?
Ge8 Ge5 Ge2 85.328(13) . . ?
Ge1 Ge5 Ge2 63.472(13) . . ?
Ge7 Ge5 Ge2 119.444(15) . . ?
Si9 Ge6 Ge2 114.98(2) . . ?
Si9 Ge6 Ge8 128.55(2) . . ?
Ge2 Ge6 Ge8 84.819(13) . . ?
Si9 Ge6 Ge3 110.04(2) . . ?
Ge2 Ge6 Ge3 61.887(13) . . ?
Ge8 Ge6 Ge3 120.871(15) . . ?
Si9 Ge6 Ge9 123.65(2) . . ?
Ge2 Ge6 Ge9 120.588(15) . . ?
Ge8 Ge6 Ge9 66.988(11) . . ?
Ge3 Ge6 Ge9 88.769(15) . . ?
Ni1 Ge7 Ge5 107.101(14) . . ?
Ni1 Ge7 Ge4 110.126(13) . . ?
Ge5 Ge7 Ge4 90.872(13) . . ?
Ni1 Ge7 Ge9 54.607(8) . . ?
Ge5 Ge7 Ge9 98.580(13) . . ?
Ge4 Ge7 Ge9 56.173(11) . . ?
Ni1 Ge7 Ge8 53.414(8) . . ?
Ge5 Ge7 Ge8 55.154(11) . . ?
Ge4 Ge7 Ge8 97.312(13) . . ?
Ge9 Ge7 Ge8 59.079(11) . . ?
Ni1 Ge8 Ge5 107.446(14) . . ?
Ni1 Ge8 Ge6 110.833(14) . . ?
Ge5 Ge8 Ge6 89.206(13) . . ?
Ni1 Ge8 Ge9 54.727(8) . . ?
Ge5 Ge8 Ge9 98.797(14) . . ?
Ge6 Ge8 Ge9 56.551(11) . . ?
Ni1 Ge8 Ge7 53.630(8) . . ?
Ge5 Ge8 Ge7 55.293(11) . . ?
Ge6 Ge8 Ge7 96.505(14) . . ?
Ge9 Ge8 Ge7 59.229(11) . . ?
Ni1 Ge9 Ge4 110.403(13) . . ?
Ni1 Ge9 Ge6 110.500(14) . . ?
Ge4 Ge9 Ge6 86.969(13) . . ?
Ni1 Ge9 Ge8 54.481(8) . . ?
Ge4 Ge9 Ge8 99.426(13) . . ?
Ge6 Ge9 Ge8 56.461(11) . . ?
Ni1 Ge9 Ge7 54.586(8) . . ?
Ge4 Ge9 Ge7 56.474(11) . . ?
Ge6 Ge9 Ge7 98.198(13) . . ?
Ge8 Ge9 Ge7 61.692(11) . . ?
Si2 Si1 Si4 110.64(4) . . ?
Si2 Si1 Si3 110.87(4) . . ?
Si4 Si1 Si3 110.21(4) . . ?
Si2 Si1 Ge4 106.68(3) . . ?
Si4 Si1 Ge4 111.17(4) . . ?
Si3 Si1 Ge4 107.17(4) . . ?
C2 Si2 C1 107.94(18) . . ?
C2 Si2 C3 108.34(18) . . ?
C1 Si2 C3 109.79(18) . . ?
C2 Si2 Si1 110.21(12) . . ?
C1 Si2 Si1 108.94(12) . . ?
C3 Si2 Si1 111.56(12) . . ?
C4 Si3 C5 109.8(3) . . ?
C4 Si3 C6 107.4(3) . . ?
C5 Si3 C6 106.5(3) . . ?
C4 Si3 Si1 110.49(19) . . ?
C5 Si3 Si1 109.62(14) . . ?
C6 Si3 Si1 112.91(19) . . ?
C9 Si4 C7 108.6(2) . . ?
C9 Si4 C8 106.9(2) . . ?
C7 Si4 C8 107.6(2) . . ?
C9 Si4 Si1 110.77(15) . . ?
C7 Si4 Si1 109.13(14) . . ?
C8 Si4 Si1 113.66(13) . . ?
Si2 C1 H1A 109.5 . . ?
Si2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Si2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si2 C2 H2A 109.5 . . ?
Si2 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si2 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si2 C3 H3A 109.5 . . ?
Si2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
Si2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si3 C4 H4A 109.5 . . ?
Si3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
Si3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si3 C5 H5A 109.5 . . ?
Si3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si3 C6 H6A 109.5 . . ?
Si3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si4 C7 H7A 109.5 . . ?
Si4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si4 C8 H8A 109.5 . . ?
Si4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si4 C9 H9A 109.5 . . ?
Si4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si6 C10 H10A 109.5 . . ?
Si6 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si6 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si7 Si5 Si6 110.10(4) . . ?
Si7 Si5 Si8 112.57(4) . . ?
Si6 Si5 Si8 109.21(4) . . ?
Si7 Si5 Ge5 106.97(3) . . ?
Si6 Si5 Ge5 108.64(3) . . ?
Si8 Si5 Ge5 109.25(4) . . ?
C12 Si6 C11 107.99(19) . . ?
C12 Si6 C10 107.52(18) . . ?
C11 Si6 C10 108.4(2) . . ?
C12 Si6 Si5 110.67(11) . . ?
C11 Si6 Si5 110.92(12) . . ?
C10 Si6 Si5 111.17(13) . . ?
C15 Si7 C14 109.77(17) . . ?
C15 Si7 C13 109.49(18) . . ?
C14 Si7 C13 107.56(19) . . ?
C15 Si7 Si5 109.20(14) . . ?
C14 Si7 Si5 109.75(10) . . ?
C13 Si7 Si5 111.04(13) . . ?
C18 Si8 C17 107.7(3) . . ?
C18 Si8 C16 108.2(3) . . ?
C17 Si8 C16 107.7(2) . . ?
C18 Si8 Si5 110.63(15) . . ?
C17 Si8 Si5 111.69(15) . . ?
C16 Si8 Si5 110.73(16) . . ?
Si6 C11 H11A 109.5 . . ?
Si6 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si6 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si6 C12 H12A 109.5 . . ?
Si6 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si6 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si7 C13 H13A 109.5 . . ?
Si7 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si7 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si7 C14 H14A 109.5 . . ?
Si7 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si7 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si7 C15 H15A 109.5 . . ?
Si7 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si7 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si8 C16 H16A 109.5 . . ?
Si8 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si8 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si8 C17 H17A 109.5 . . ?
Si8 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si8 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si8 C18 H18A 109.5 . . ?
Si8 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si8 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si11 Si9 Si12 111.84(4) . . ?
Si11 Si9 Si10 109.05(4) . . ?
Si12 Si9 Si10 109.10(4) . . ?
Si11 Si9 Ge6 109.08(3) . . ?
Si12 Si9 Ge6 107.55(4) . . ?
Si10 Si9 Ge6 110.21(3) . . ?
C21 Si10 C19 107.9(2) . . ?
C21 Si10 C20 107.45(17) . . ?
C19 Si10 C20 108.13(19) . . ?
C21 Si10 Si9 112.17(12) . . ?
C19 Si10 Si9 111.87(12) . . ?
C20 Si10 Si9 109.13(12) . . ?
C24 Si11 C22 109.4(2) . . ?
C24 Si11 C23 108.5(2) . . ?
C22 Si11 C23 107.2(2) . . ?
C24 Si11 Si9 109.77(14) . . ?
C22 Si11 Si9 109.10(15) . . ?
C23 Si11 Si9 112.81(14) . . ?
C26 Si12 C27 110.1(2) . . ?
C26 Si12 C25 108.2(2) . . ?
C27 Si12 C25 107.1(2) . . ?
C26 Si12 Si9 109.15(13) . . ?
C27 Si12 Si9 110.71(14) . . ?
C25 Si12 Si9 111.59(17) . . ?
Si10 C19 H19A 109.5 . . ?
Si10 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si10 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si10 C20 H20A 109.5 . . ?
Si10 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si10 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si10 C21 H21A 109.5 . . ?
Si10 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si10 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si11 C22 H22A 109.5 . . ?
Si11 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si11 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si11 C23 H23A 109.5 . . ?
Si11 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si11 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si11 C24 H24A 109.5 . . ?
Si11 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si11 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si12 C25 H25A 109.5 . . ?
Si12 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si12 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si12 C26 H26A 109.5 . . ?
Si12 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si12 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si12 C27 H27A 109.5 . . ?
Si12 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si12 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O106 K101 O103 129.77(7) . . ?
O106 K101 O104 105.52(8) . . ?
O103 K101 O104 59.99(8) . . ?
O106 K101 O105 60.01(7) . . ?
O103 K101 O105 105.73(7) . . ?
O104 K101 O105 148.48(7) . . ?
O106 K101 O101 131.71(8) . . ?
O103 K101 O101 94.98(7) . . ?
O104 K101 O101 113.41(8) . . ?
O105 K101 O101 94.85(7) . . ?
O106 K101 N101 121.28(8) . . ?
O103 K101 N101 61.27(7) . . ?
O104 K101 N101 119.81(8) . . ?
O105 K101 N101 61.84(7) . . ?
O101 K101 N101 60.24(7) . . ?
O106 K101 O102 92.62(8) . . ?
O103 K101 O102 133.56(8) . . ?
O104 K101 O102 94.76(8) . . ?
O105 K101 O102 112.75(7) . . ?
O101 K101 O102 57.67(7) . . ?
N101 K101 O102 116.78(7) . . ?
O106 K101 N102 60.39(8) . . ?
O103 K101 N102 120.77(8) . . ?
O104 K101 N102 61.53(9) . . ?
O105 K101 N102 119.16(8) . . ?
O101 K101 N102 116.01(8) . . ?
N101 K101 N102 176.22(8) . . ?
O102 K101 N102 59.44(8) . . ?
O106 K101 O107 61.74(9) . . ?
O103 K101 O107 68.10(8) . . ?
O104 K101 O107 72.86(10) . . ?
O105 K101 O107 75.70(10) . . ?
O101 K101 O107 156.75(10) . . ?
N101 K101 O107 96.87(10) . . ?
O102 K101 O107 145.57(9) . . ?
N102 K101 O107 86.91(10) . . ?
C101 N101 C107 108.9(2) . . ?
C101 N101 C113 109.1(3) . . ?
C107 N101 C113 109.1(3) . . ?
C101 N101 K101 111.1(2) . . ?
C107 N101 K101 108.29(18) . . ?
C113 N101 K101 110.28(18) . . ?
C118 N102 C112 110.3(3) . . ?
C118 N102 C106 109.5(3) . . ?
C112 N102 C106 109.8(3) . . ?
C118 N102 K101 107.3(2) . . ?
C112 N102 K101 108.6(2) . . ?
C106 N102 K101 111.3(2) . . ?
C103 O101 C102 110.8(3) . . ?
C103 O101 K101 117.7(2) . . ?
C102 O101 K101 116.72(18) . . ?
C105 O102 C104 109.9(3) . . ?
C105 O102 K101 116.0(2) . . ?
C104 O102 K101 115.0(2) . . ?
C108 O103 C109 112.2(3) . . ?
C108 O103 K101 119.16(19) . . ?
C109 O103 K101 116.5(2) . . ?
C111 O104 C110 111.3(3) . . ?
C111 O104 K101 111.9(2) . . ?
C110 O104 K101 113.5(2) . . ?
C114 O105 C115 109.7(2) . . ?
C114 O105 K101 112.35(19) . . ?
C115 O105 K101 111.07(19) . . ?
C117 O106 C116 112.3(3) . . ?
C117 O106 K101 122.2(2) . . ?
C116 O106 K101 118.37(18) . . ?
N101 C101 C102 113.7(3) . . ?
N101 C101 H10D 108.8 . . ?
C102 C101 H10D 108.8 . . ?
N101 C101 H10E 108.8 . . ?
C102 C101 H10E 108.8 . . ?
H10D C101 H10E 107.7 . . ?
O101 C102 C101 109.3(3) . . ?
O101 C102 H10F 109.8 . . ?
C101 C102 H10F 109.8 . . ?
O101 C102 H10G 109.8 . . ?
C101 C102 H10G 109.8 . . ?
H10F C102 H10G 108.3 . . ?
O101 C103 C104 109.2(3) . . ?
O101 C103 H10H 109.9 . . ?
C104 C103 H10H 109.8 . . ?
O101 C103 H10I 109.8 . . ?
C104 C103 H10I 109.8 . . ?
H10H C103 H10I 108.3 . . ?
O102 C104 C103 109.0(3) . . ?
O102 C104 H10J 109.9 . . ?
C103 C104 H10J 109.9 . . ?
O102 C104 H10K 109.9 . . ?
C103 C104 H10K 109.9 . . ?
H10J C104 H10K 108.3 . . ?
O102 C105 C106 109.7(3) . . ?
O102 C105 H10L 109.7 . . ?
C106 C105 H10L 109.7 . . ?
O102 C105 H10M 109.7 . . ?
C106 C105 H10M 109.7 . . ?
H10L C105 H10M 108.2 . . ?
N102 C106 C105 113.6(3) . . ?
N102 C106 H10N 108.8 . . ?
C105 C106 H10N 108.8 . . ?
N102 C106 H10O 108.8 . . ?
C105 C106 H10O 108.8 . . ?
H10N C106 H10O 107.7 . . ?
N101 C107 C108 113.6(3) . . ?
N101 C107 H10P 108.9 . . ?
C108 C107 H10P 108.9 . . ?
N101 C107 H10Q 108.9 . . ?
C108 C107 H10Q 108.9 . . ?
H10P C107 H10Q 107.7 . . ?
O103 C108 C107 109.8(3) . . ?
O103 C108 H10R 109.7 . . ?
C107 C108 H10R 109.7 . . ?
O103 C108 H10S 109.7 . . ?
C107 C108 H10S 109.7 . . ?
H10R C108 H10S 108.2 . . ?
O103 C109 C110 109.0(3) . . ?
O103 C109 H10T 109.9 . . ?
C110 C109 H10T 109.9 . . ?
O103 C109 H10U 109.9 . . ?
C110 C109 H10U 109.9 . . ?
H10T C109 H10U 108.3 . . ?
O104 C110 C109 109.8(3) . . ?
O104 C110 H11D 109.7 . . ?
C109 C110 H11D 109.7 . . ?
O104 C110 H11E 109.7 . . ?
C109 C110 H11E 109.7 . . ?
H11D C110 H11E 108.2 . . ?
O104 C111 C112 110.1(3) . . ?
O104 C111 H11F 109.6 . . ?
C112 C111 H11F 109.6 . . ?
O104 C111 H11G 109.6 . . ?
C112 C111 H11G 109.6 . . ?
H11F C111 H11G 108.2 . . ?
N102 C112 C111 113.9(4) . . ?
N102 C112 H11H 108.8 . . ?
C111 C112 H11H 108.8 . . ?
N102 C112 H11I 108.8 . . ?
C111 C112 H11I 108.8 . . ?
H11H C112 H11I 107.7 . . ?
N101 C113 C114 113.2(3) . . ?
N101 C113 H11J 108.9 . . ?
C114 C113 H11J 108.9 . . ?
N101 C113 H11K 108.9 . . ?
C114 C113 H11K 108.9 . . ?
H11J C113 H11K 107.8 . . ?
O105 C114 C113 109.6(3) . . ?
O105 C114 H11L 109.8 . . ?
C113 C114 H11L 109.8 . . ?
O105 C114 H11M 109.8 . . ?
C113 C114 H11M 109.8 . . ?
H11L C114 H11M 108.2 . . ?
O105 C115 C116 109.4(3) . . ?
O105 C115 H11N 109.8 . . ?
C116 C115 H11N 109.8 . . ?
O105 C115 H11O 109.8 . . ?
C116 C115 H11O 109.8 . . ?
H11N C115 H11O 108.2 . . ?
O106 C116 C115 109.1(3) . . ?
O106 C116 H11P 109.9 . . ?
C115 C116 H11P 109.9 . . ?
O106 C116 H11Q 109.9 . . ?
C115 C116 H11Q 109.9 . . ?
H11P C116 H11Q 108.3 . . ?
O106 C117 C118 108.8(3) . . ?
O106 C117 H11R 109.9 . . ?
C118 C117 H11R 109.9 . . ?
O106 C117 H11S 109.9 . . ?
C118 C117 H11S 109.9 . . ?
H11R C117 H11S 108.3 . . ?
N102 C118 C117 114.8(3) . . ?
N102 C118 H11T 108.6 . . ?
C117 C118 H11T 108.6 . . ?
N102 C118 H11U 108.6 . . ?
C117 C118 H11U 108.6 . . ?
H11T C118 H11U 107.5 . . ?
C119 O107 C122 106.2(4) . . ?
C119 O107 K101 120.1(3) . . ?
C122 O107 K101 133.1(3) . . ?
O107 C119 C120 104.6(5) . . ?
O107 C119 H11V 110.8 . . ?
C120 C119 H11V 110.8 . . ?
O107 C119 H11W 110.8 . . ?
C120 C119 H11W 110.8 . . ?
H11V C119 H11W 108.9 . . ?
C119 C120 C121 103.0(5) . . ?
C119 C120 H12D 111.2 . . ?
C121 C120 H12D 111.2 . . ?
C119 C120 H12E 111.2 . . ?
C121 C120 H12E 111.2 . . ?
H12D C120 H12E 109.1 . . ?
C122 C121 C120 104.6(5) . . ?
C122 C121 H12F 110.8 . . ?
C120 C121 H12F 110.8 . . ?
C122 C121 H12G 110.8 . . ?
C120 C121 H12G 110.8 . . ?
H12F C121 H12G 108.9 . . ?
C121 C122 O107 108.6(5) . . ?
C121 C122 H12H 110.0 . . ?
O107 C122 H12H 110.0 . . ?
C121 C122 H12I 110.0 . . ?
O107 C122 H12I 110.0 . . ?
H12H C122 H12I 108.3 . . ?

_refine_diff_density_max         0.555
_refine_diff_density_min         -0.579
_refine_diff_density_rms         0.078

####################################################################### 
# 
# 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_OT190
_database_code_depnum_ccdc_archive 'CCDC 2087499'
loop_
_audit_author_name
_audit_author_address
'Jose Goicoechea'
;University of Oxford
United Kingdom
;
_audit_update_record             
;
2021-06-22 deposited with the CCDC.	2021-06-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        
;
 Ge8{Si(SiMe3)}3NiCp*1.5tol
;
_contact_author_fax              '+44 1865 272690'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H86 Ge8 Ni Si12, 1.5(C7 H8)'
_chemical_formula_sum            'C42.50 H98 Ge8 Ni Si12'
_chemical_formula_weight         1585.71

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni -3.0029 0.5091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.0885 0.8855 '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                   9.5585(4)
_cell_length_b                   14.6574(6)
_cell_length_c                   27.0969(12)
_cell_angle_alpha                97.455(4)
_cell_angle_beta                 97.365(4)
_cell_angle_gamma                102.627(3)
_cell_volume                     3624.8(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    6090
_cell_measurement_theta_min      1.6662
_cell_measurement_theta_max      76.6140

_exptl_crystal_description       needle
_exptl_crystal_colour            green
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    .
_exptl_crystal_density_diffrn    1.453
_exptl_crystal_F_000             1610
_exptl_transmission_factor_min   .
_exptl_transmission_factor_max   .
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    6.059
_shelx_estimated_absorpt_T_min   0.408
_shelx_estimated_absorpt_T_max   0.794
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.70163
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   .

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4102
_diffrn_reflns_number            27423
_diffrn_reflns_av_unetI/netI     0.1150
_diffrn_reflns_av_R_equivalents  0.0770
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.666
_diffrn_reflns_theta_max         66.499
_diffrn_reflns_theta_full        66.499
_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             12793
_reflns_number_gt                8236
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    .
_computing_publication_material  .
_refine_special_details          .

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0370P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     .
_atom_sites_solution_secondary   .
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12793
_refine_ls_number_parameters     604
_refine_ls_number_restraints     114
_refine_ls_R_factor_all          0.0924
_refine_ls_R_factor_gt           0.0532
_refine_ls_wR_factor_ref         0.1328
_refine_ls_wR_factor_gt          0.1111
_refine_ls_goodness_of_fit_ref   0.931
_refine_ls_restrained_S_all      0.929
_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 0.77286(8) 0.73817(5) 0.17525(3) 0.02800(18) Uani 1 1 d . . . . .
Ge2 Ge 0.71163(8) 0.55897(5) 0.21616(3) 0.02863(18) Uani 1 1 d . . . . .
Ge3 Ge 0.53248(9) 0.60417(6) 0.26863(3) 0.0357(2) Uani 1 1 d . . . . .
Ge4 Ge 0.60376(9) 0.81012(5) 0.22242(3) 0.0341(2) Uani 1 1 d . . . . .
Ge5 Ge 0.96334(9) 0.66712(5) 0.22090(3) 0.03150(19) Uani 1 1 d . . . . .
Ge6 Ge 0.84805(9) 0.65332(5) 0.30421(3) 0.03101(19) Uani 1 1 d . . . . .
Ge7 Ge 0.67663(9) 0.76588(5) 0.30515(3) 0.03145(19) Uani 1 1 d . . . . .
Ge8 Ge 0.90510(9) 0.82234(5) 0.26602(3) 0.03122(19) Uani 1 1 d . . . . .
Ni1 Ni 0.54035(12) 0.63674(7) 0.17719(4) 0.0312(3) Uani 1 1 d . . . . .
C1 C 0.4271(9) 0.5304(6) 0.1181(3) 0.053(2) Uani 1 1 d . . . . .
H1 H 0.462723 0.477280 0.106292 0.064 Uiso 1 1 calc R U . . .
C2 C 0.3430(8) 0.5348(6) 0.1562(4) 0.056(2) Uani 1 1 d . . . . .
H2 H 0.309146 0.485178 0.174182 0.067 Uiso 1 1 calc R U . . .
C3 C 0.3166(8) 0.6280(6) 0.1633(3) 0.053(2) Uani 1 1 d . . . . .
H3 H 0.263717 0.651885 0.187257 0.064 Uiso 1 1 calc R U . . .
C4 C 0.3838(8) 0.6771(6) 0.1280(3) 0.052(2) Uani 1 1 d . . . . .
H4 H 0.384212 0.740464 0.123766 0.062 Uiso 1 1 calc R U . . .
C5 C 0.4506(9) 0.6155(6) 0.1002(3) 0.055(2) Uani 1 1 d . . . . .
H5 H 0.502907 0.630161 0.073534 0.066 Uiso 1 1 calc R U . . .
Si1 Si 0.8346(2) 0.81768(12) 0.10552(7) 0.0295(4) Uani 1 1 d . . . . .
Si2 Si 0.8836(2) 0.71356(14) 0.03959(8) 0.0370(5) Uani 1 1 d . . . . .
C6 C 0.7197(9) 0.6231(5) 0.0056(3) 0.051(2) Uani 1 1 d . . . . .
H6A H 0.646515 0.654840 -0.007883 0.076 Uiso 1 1 calc R U . . .
H6B H 0.746490 0.584131 -0.022174 0.076 Uiso 1 1 calc R U . . .
H6C H 0.679671 0.582605 0.029012 0.076 Uiso 1 1 calc R U . . .
C7 C 1.0198(11) 0.6506(7) 0.0646(4) 0.087(4) Uani 1 1 d . . . . .
H7A H 1.107071 0.697078 0.082681 0.131 Uiso 1 1 calc R U . . .
H7B H 0.978512 0.610019 0.087776 0.131 Uiso 1 1 calc R U . . .
H7C H 1.045331 0.611545 0.036590 0.131 Uiso 1 1 calc R U . . .
C8 C 0.9511(12) 0.7826(6) -0.0101(3) 0.079(3) Uani 1 1 d . . . . .
H8A H 1.038234 0.832153 0.005041 0.119 Uiso 1 1 calc R U . . .
H8B H 0.974727 0.739806 -0.036986 0.119 Uiso 1 1 calc R U . . .
H8C H 0.875401 0.811800 -0.024276 0.119 Uiso 1 1 calc R U . . .
Si3 Si 1.0520(2) 0.93367(13) 0.14039(8) 0.0382(5) Uani 1 1 d . . . . .
C9 C 0.5085(10) 0.8183(6) 0.0268(4) 0.071(3) Uani 1 1 d . . . . .
H9A H 0.546072 0.782636 0.000499 0.106 Uiso 1 1 calc R U . . .
H9B H 0.449390 0.774122 0.044489 0.106 Uiso 1 1 calc R U . . .
H9C H 0.448620 0.856707 0.011261 0.106 Uiso 1 1 calc R U . . .
C10 C 0.5888(8) 0.9647(5) 0.1221(3) 0.045(2) Uani 1 1 d . . . . .
H10A H 0.669239 1.006528 0.146395 0.068 Uiso 1 1 calc R U . . .
H10B H 0.528688 1.002658 0.106379 0.068 Uiso 1 1 calc R U . . .
H10C H 0.529458 0.920072 0.139608 0.068 Uiso 1 1 calc R U . . .
C11 C 0.7580(10) 0.9867(6) 0.0366(3) 0.066(3) Uani 1 1 d . . . . .
H11A H 0.840799 1.030158 0.059197 0.099 Uiso 1 1 calc R U . . .
H11B H 0.792659 0.954015 0.008484 0.099 Uiso 1 1 calc R U . . .
H11C H 0.690234 1.022554 0.023578 0.099 Uiso 1 1 calc R U . . .
Si4 Si 0.6630(3) 0.89727(14) 0.07238(8) 0.0414(5) Uani 1 1 d . . . . .
C12 C 1.1406(11) 0.9888(6) 0.0902(3) 0.071(3) Uani 1 1 d . . . . .
H12A H 1.072880 1.017817 0.070997 0.106 Uiso 1 1 calc R U . . .
H12B H 1.228221 1.037569 0.105826 0.106 Uiso 1 1 calc R U . . .
H12C H 1.167019 0.940034 0.067423 0.106 Uiso 1 1 calc R U . . .
C13 C 1.1897(8) 0.8814(5) 0.1740(3) 0.050(2) Uani 1 1 d . . . . .
H13A H 1.210892 0.831120 0.150700 0.074 Uiso 1 1 calc R U . . .
H13B H 1.278977 0.930747 0.186737 0.074 Uiso 1 1 calc R U . . .
H13C H 1.151742 0.854740 0.202351 0.074 Uiso 1 1 calc R U . . .
C14 C 1.0121(9) 1.0295(5) 0.1851(3) 0.057(2) Uani 1 1 d . . . . .
H14A H 0.939641 1.057163 0.167519 0.085 Uiso 1 1 calc R U . . .
H14B H 0.974293 1.002706 0.213415 0.085 Uiso 1 1 calc R U . . .
H14C H 1.101528 1.078713 0.197802 0.085 Uiso 1 1 calc R U . . .
Si5 Si 0.7028(2) 0.39253(12) 0.19991(7) 0.0301(4) Uani 1 1 d . . . . .
Si6 Si 0.4720(2) 0.29090(13) 0.19788(8) 0.0369(5) Uani 1 1 d . . . . .
C15 C 0.3566(9) 0.2701(5) 0.1345(3) 0.054(2) Uani 1 1 d . . . . .
H15A H 0.408889 0.246492 0.108719 0.081 Uiso 1 1 calc R U . . .
H15B H 0.265891 0.223251 0.134212 0.081 Uiso 1 1 calc R U . . .
H15C H 0.334505 0.329757 0.127336 0.081 Uiso 1 1 calc R U . . .
C16 C 0.3706(9) 0.3360(5) 0.2467(3) 0.054(2) Uani 1 1 d . . . . .
H16A H 0.430458 0.347104 0.280092 0.080 Uiso 1 1 calc R U . . .
H16B H 0.348503 0.395536 0.239351 0.080 Uiso 1 1 calc R U . . .
H16C H 0.279889 0.289030 0.246227 0.080 Uiso 1 1 calc R U . . .
C17 C 0.4975(9) 0.1726(5) 0.2111(3) 0.051(2) Uani 1 1 d . . . . .
H17A H 0.557738 0.180554 0.244196 0.076 Uiso 1 1 calc R U . . .
H17B H 0.402560 0.130245 0.210985 0.076 Uiso 1 1 calc R U . . .
H17C H 0.545398 0.145097 0.185051 0.076 Uiso 1 1 calc R U . . .
Si7 Si 0.8692(2) 0.36387(14) 0.26532(8) 0.0389(5) Uani 1 1 d . . . . .
C18 C 0.7864(10) 0.3588(6) 0.3238(3) 0.062(3) Uani 1 1 d . . . . .
H18A H 0.692989 0.311912 0.316399 0.094 Uiso 1 1 calc R U . . .
H18B H 0.851622 0.340742 0.349672 0.094 Uiso 1 1 calc R U . . .
H18C H 0.771010 0.421239 0.335987 0.094 Uiso 1 1 calc R U . . .
C19 C 0.9102(9) 0.2462(5) 0.2449(3) 0.051(2) Uani 1 1 d . . . . .
H19A H 0.819408 0.196920 0.236448 0.077 Uiso 1 1 calc R U . . .
H19B H 0.958939 0.249423 0.215299 0.077 Uiso 1 1 calc R U . . .
H19C H 0.973756 0.231063 0.272471 0.077 Uiso 1 1 calc R U . . .
C20 C 1.0458(8) 0.4535(5) 0.2808(3) 0.048(2) Uani 1 1 d . . . . .
H20A H 1.091217 0.457195 0.250408 0.071 Uiso 1 1 calc R U . . .
H20B H 1.029366 0.515486 0.293160 0.071 Uiso 1 1 calc R U . . .
H20C H 1.109978 0.434989 0.306845 0.071 Uiso 1 1 calc R U . . .
Si8 Si 0.7905(2) 0.35782(13) 0.12444(8) 0.0351(5) Uani 1 1 d . . . . .
C21 C 0.7505(9) 0.2259(5) 0.1041(3) 0.047(2) Uani 1 1 d . . . . .
H21A H 0.645374 0.199308 0.099265 0.070 Uiso 1 1 calc R U . . .
H21B H 0.786456 0.212060 0.072382 0.070 Uiso 1 1 calc R U . . .
H21C H 0.798840 0.197532 0.130167 0.070 Uiso 1 1 calc R U . . .
C22 C 0.9914(8) 0.4074(5) 0.1336(3) 0.052(2) Uani 1 1 d . . . . .
H22A H 1.038880 0.381153 0.160722 0.078 Uiso 1 1 calc R U . . .
H22B H 1.027650 0.390505 0.102236 0.078 Uiso 1 1 calc R U . . .
H22C H 1.012835 0.476548 0.142490 0.078 Uiso 1 1 calc R U . . .
C23 C 0.7059(9) 0.4103(5) 0.0723(3) 0.052(2) Uani 1 1 d . . . . .
H23A H 0.600249 0.385578 0.066614 0.077 Uiso 1 1 calc R U . . .
H23B H 0.729169 0.479417 0.081625 0.077 Uiso 1 1 calc R U . . .
H23C H 0.743984 0.393373 0.041371 0.077 Uiso 1 1 calc R U . . .
Si9 Si 0.6407(2) 0.85238(13) 0.38075(7) 0.0306(4) Uani 1 1 d . . . . .
Si10 Si 0.3896(2) 0.84165(17) 0.36853(9) 0.0462(6) Uani 1 1 d . . . . .
C24 C 0.2830(10) 0.7163(7) 0.3586(5) 0.099(4) Uani 1 1 d . . . . .
H24A H 0.307613 0.680658 0.329143 0.148 Uiso 1 1 calc R U . . .
H24B H 0.306295 0.687965 0.388516 0.148 Uiso 1 1 calc R U . . .
H24C H 0.178989 0.714438 0.352990 0.148 Uiso 1 1 calc R U . . .
C25 C 0.3388(10) 0.8964(8) 0.3128(4) 0.086(4) Uani 1 1 d . . . . .
H25A H 0.364743 0.863219 0.282801 0.130 Uiso 1 1 calc R U . . .
H25B H 0.233948 0.891670 0.307648 0.130 Uiso 1 1 calc R U . . .
H25C H 0.391051 0.963301 0.318551 0.130 Uiso 1 1 calc R U . . .
C26 C 0.3392(10) 0.9061(8) 0.4246(4) 0.092(4) Uani 1 1 d . . . . .
H26A H 0.365289 0.878024 0.454394 0.138 Uiso 1 1 calc R U . . .
H26B H 0.391430 0.972889 0.430014 0.138 Uiso 1 1 calc R U . . .
H26C H 0.234328 0.901258 0.419110 0.138 Uiso 1 1 calc R U . . .
Si11 Si 0.7104(3) 0.77674(15) 0.44777(8) 0.0429(5) Uani 1 1 d . . . . .
C27 C 0.6193(11) 0.6470(5) 0.4321(4) 0.072(3) Uani 1 1 d . . . . .
H27A H 0.513609 0.638836 0.426291 0.107 Uiso 1 1 calc R U . . .
H27B H 0.649656 0.619204 0.401533 0.107 Uiso 1 1 calc R U . . .
H27C H 0.646934 0.615230 0.460153 0.107 Uiso 1 1 calc R U . . .
C28 C 0.9102(9) 0.7885(6) 0.4584(4) 0.072(3) Uani 1 1 d . . . . .
H28A H 0.939070 0.760115 0.427649 0.108 Uiso 1 1 calc R U . . .
H28B H 0.960465 0.855687 0.466756 0.108 Uiso 1 1 calc R U . . .
H28C H 0.936257 0.755757 0.486231 0.108 Uiso 1 1 calc R U . . .
C29 C 0.6553(12) 0.8307(7) 0.5063(3) 0.078(3) Uani 1 1 d . . . . .
H29A H 0.550020 0.824552 0.500675 0.117 Uiso 1 1 calc R U . . .
H29B H 0.681291 0.798048 0.534156 0.117 Uiso 1 1 calc R U . . .
H29C H 0.705499 0.897978 0.514681 0.117 Uiso 1 1 calc R U . . .
Si12 Si 0.7750(3) 1.00815(14) 0.38607(9) 0.0452(5) Uani 1 1 d . . . . .
C30 C 0.7481(11) 1.0508(6) 0.3244(3) 0.067(3) Uani 1 1 d . . . . .
H30A H 0.644812 1.047934 0.314359 0.101 Uiso 1 1 calc R U . . .
H30B H 0.804442 1.116397 0.327825 0.101 Uiso 1 1 calc R U . . .
H30C H 0.780844 1.010581 0.298766 0.101 Uiso 1 1 calc R U . . .
C31 C 0.9730(10) 1.0145(6) 0.4043(4) 0.077(3) Uani 1 1 d . . . . .
H31A H 0.988998 0.992312 0.436641 0.115 Uiso 1 1 calc R U . . .
H31B H 1.004966 0.974412 0.378323 0.115 Uiso 1 1 calc R U . . .
H31C H 1.028563 1.080228 0.407382 0.115 Uiso 1 1 calc R U . . .
C32 C 0.7208(13) 1.0902(6) 0.4350(4) 0.091(4) Uani 1 1 d . . . . .
H32A H 0.734268 1.068795 0.467640 0.136 Uiso 1 1 calc R U . . .
H32B H 0.781230 1.154456 0.437456 0.136 Uiso 1 1 calc R U . . .
H32C H 0.618442 1.090382 0.425348 0.136 Uiso 1 1 calc R U . . .
C1S C 0.267(2) 0.1505(9) 0.3350(6) 0.171(7) Uani 1 1 d . U . . .
H1S1 H 0.364660 0.144830 0.329842 0.257 Uiso 1 1 calc R U . . .
H1S2 H 0.222896 0.099091 0.351981 0.257 Uiso 1 1 calc R U . . .
H1S3 H 0.207101 0.146526 0.302223 0.257 Uiso 1 1 calc R U . . .
C2S C 0.277(2) 0.2408(11) 0.3657(5) 0.112(4) Uani 1 1 d . U . . .
C3S C 0.1633(16) 0.2685(9) 0.3789(5) 0.103(4) Uani 1 1 d . U . . .
H3S H 0.067818 0.230341 0.367228 0.123 Uiso 1 1 calc R U . . .
C4S C 0.1866(16) 0.3573(9) 0.4113(6) 0.112(4) Uani 1 1 d . U . . .
H4S H 0.105174 0.375611 0.422638 0.135 Uiso 1 1 calc R U . . .
C5S C 0.3118(17) 0.4130(10) 0.4256(6) 0.121(5) Uani 1 1 d . U . . .
H5S H 0.324980 0.474546 0.444299 0.145 Uiso 1 1 calc R U . . .
C6S C 0.4311(19) 0.3772(13) 0.4118(8) 0.140(6) Uani 1 1 d . U . . .
H6S H 0.524888 0.416997 0.424363 0.168 Uiso 1 1 calc R U . . .
C7S C 0.4280(19) 0.2972(12) 0.3842(6) 0.135(5) Uani 1 1 d . U . . .
H7S H 0.512064 0.277183 0.376680 0.163 Uiso 1 1 calc R U . . .
C1T C 1.195(4) 0.6433(17) 0.4900(16) 0.149(13) Uani 0.5 1 d . U P A -1
H1T1 H 1.277979 0.659892 0.517323 0.223 Uiso 0.5 1 calc R U P A -1
H1T2 H 1.228004 0.629765 0.457664 0.223 Uiso 0.5 1 calc R U P A -1
H1T3 H 1.147863 0.696456 0.489424 0.223 Uiso 0.5 1 calc R U P A -1
C2T C 1.087(6) 0.557(3) 0.498(2) 0.108(10) Uani 0.5 1 d . U P A -1
C3T C 0.957(5) 0.525(3) 0.4598(17) 0.113(12) Uani 0.5 1 d . U P A -1
H3T H 0.941101 0.558695 0.432869 0.135 Uiso 0.5 1 calc R U P A -1
C4T C 0.860(6) 0.443(3) 0.4646(18) 0.107(10) Uani 0.5 1 d . U P A -1
H4T H 0.785488 0.411995 0.437025 0.128 Uiso 0.5 1 calc R U P A -1
C5T C 0.869(6) 0.407(3) 0.5085(18) 0.113(11) Uani 0.5 1 d . U P A -1
H5T H 0.789575 0.359644 0.513916 0.136 Uiso 0.5 1 calc R U P A -1
C6T C 0.992(6) 0.439(2) 0.5455(18) 0.112(11) Uani 0.5 1 d . U P A -1
H6T H 1.004232 0.409831 0.574702 0.134 Uiso 0.5 1 calc R U P A -1
C7T C 1.096(5) 0.515(2) 0.5365(15) 0.096(10) Uani 0.5 1 d . U P A -1
H7T H 1.180468 0.537731 0.561223 0.115 Uiso 0.5 1 calc R U P A -1


_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 Ni1 2.3996(14) . ?
Ge1 Si1 2.4151(19) . ?
Ge1 Ge4 2.5067(11) . ?
Ge1 Ge5 2.5527(11) . ?
Ge1 Ge8 2.6274(11) . ?
Ge2 Si5 2.4030(18) . ?
Ge2 Ni1 2.4041(13) . ?
Ge2 Ge3 2.5037(11) . ?
Ge2 Ge5 2.5531(11) . ?
Ge2 Ge6 2.6199(11) . ?
Ge3 Ge7 2.4719(11) . ?
Ge3 Ni1 2.5906(14) . ?
Ge4 Ge7 2.4710(11) . ?
Ge4 Ni1 2.5798(13) . ?
Ge4 Ge8 2.9277(12) . ?
Ge5 Ge8 2.6434(11) . ?
Ge5 Ge6 2.6477(12) . ?
Ge6 Ge7 2.5670(11) . ?
Ge6 Ge8 2.7795(10) . ?
Ge7 Si9 2.370(2) . ?
Ge7 Ge8 2.5710(11) . ?
Ni1 C1 2.083(8) . ?
Ni1 C2 2.094(7) . ?
Ni1 C3 2.096(8) . ?
Ni1 C4 2.108(8) . ?
Ni1 C5 2.108(8) . ?
C1 C5 1.381(11) . ?
C1 C2 1.390(12) . ?
C1 H1 0.9500 . ?
C2 C3 1.435(11) . ?
C2 H2 0.9500 . ?
C3 C4 1.406(11) . ?
C3 H3 0.9500 . ?
C4 C5 1.412(11) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
Si1 Si2 2.358(3) . ?
Si1 Si4 2.364(3) . ?
Si1 Si3 2.374(3) . ?
Si2 C6 1.862(7) . ?
Si2 C7 1.862(9) . ?
Si2 C8 1.883(8) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
Si3 C13 1.862(8) . ?
Si3 C14 1.870(8) . ?
Si3 C12 1.872(8) . ?
C9 Si4 1.861(9) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 Si4 1.871(7) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 Si4 1.874(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 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
Si5 Si8 2.345(3) . ?
Si5 Si6 2.366(3) . ?
Si5 Si7 2.369(3) . ?
Si6 C15 1.868(8) . ?
Si6 C16 1.873(8) . ?
Si6 C17 1.876(7) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
Si7 C20 1.860(7) . ?
Si7 C18 1.861(8) . ?
Si7 C19 1.880(7) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
Si8 C22 1.871(8) . ?
Si8 C23 1.871(8) . ?
Si8 C21 1.880(7) . ?
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 . ?
Si9 Si12 2.338(3) . ?
Si9 Si11 2.347(3) . ?
Si9 Si10 2.348(3) . ?
Si10 C26 1.857(9) . ?
Si10 C25 1.860(10) . ?
Si10 C24 1.862(9) . ?
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 . ?
Si11 C28 1.860(9) . ?
Si11 C29 1.868(9) . ?
Si11 C27 1.878(8) . ?
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 . ?
Si12 C30 1.865(9) . ?
Si12 C31 1.872(9) . ?
Si12 C32 1.872(9) . ?
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 . ?
C1S C2S 1.447(18) . ?
C1S H1S1 0.9800 . ?
C1S H1S2 0.9800 . ?
C1S H1S3 0.9800 . ?
C2S C3S 1.314(18) . ?
C2S C7S 1.49(2) . ?
C3S C4S 1.428(17) . ?
C3S H3S 0.9500 . ?
C4S C5S 1.273(15) . ?
C4S H4S 0.9500 . ?
C5S C6S 1.43(2) . ?
C5S H5S 0.9500 . ?
C6S C7S 1.30(2) . ?
C6S H6S 0.9500 . ?
C7S H7S 0.9500 . ?
C1T C2T 1.51(4) . ?
C1T H1T1 0.9800 . ?
C1T H1T2 0.9800 . ?
C1T H1T3 0.9800 . ?
C2T C3T 1.46(6) . ?
C2T C7T 1.27(5) . ?
C3T C4T 1.38(4) . ?
C3T H3T 0.9500 . ?
C4T C5T 1.36(5) . ?
C4T H4T 0.9500 . ?
C5T C6T 1.39(6) . ?
C5T H5T 0.9500 . ?
C6T C7T 1.39(4) . ?
C6T H6T 0.9500 . ?
C7T H7T 0.9500 . ?

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
Ni1 Ge1 Si1 124.71(6) . . ?
Ni1 Ge1 Ge4 63.40(4) . . ?
Si1 Ge1 Ge4 112.19(6) . . ?
Ni1 Ge1 Ge5 106.71(4) . . ?
Si1 Ge1 Ge5 118.08(6) . . ?
Ge4 Ge1 Ge5 120.90(4) . . ?
Ni1 Ge1 Ge8 111.84(4) . . ?
Si1 Ge1 Ge8 117.14(5) . . ?
Ge4 Ge1 Ge8 69.49(3) . . ?
Ge5 Ge1 Ge8 61.35(3) . . ?
Si5 Ge2 Ni1 126.08(6) . . ?
Si5 Ge2 Ge3 115.51(6) . . ?
Ni1 Ge2 Ge3 63.68(4) . . ?
Si5 Ge2 Ge5 114.52(6) . . ?
Ni1 Ge2 Ge5 106.56(4) . . ?
Ge3 Ge2 Ge5 121.67(4) . . ?
Si5 Ge2 Ge6 117.22(6) . . ?
Ni1 Ge2 Ge6 112.34(4) . . ?
Ge3 Ge2 Ge6 70.12(3) . . ?
Ge5 Ge2 Ge6 61.56(3) . . ?
Ge7 Ge3 Ge2 96.96(4) . . ?
Ge7 Ge3 Ni1 92.43(4) . . ?
Ge2 Ge3 Ni1 56.29(4) . . ?
Ge7 Ge4 Ge1 97.59(4) . . ?
Ge7 Ge4 Ni1 92.71(4) . . ?
Ge1 Ge4 Ni1 56.28(3) . . ?
Ge7 Ge4 Ge8 56.11(3) . . ?
Ge1 Ge4 Ge8 57.20(3) . . ?
Ni1 Ge4 Ge8 98.09(4) . . ?
Ge1 Ge5 Ge2 70.67(3) . . ?
Ge1 Ge5 Ge8 60.72(3) . . ?
Ge2 Ge5 Ge8 96.49(4) . . ?
Ge1 Ge5 Ge6 96.90(4) . . ?
Ge2 Ge5 Ge6 60.46(3) . . ?
Ge8 Ge5 Ge6 63.38(3) . . ?
Ge7 Ge6 Ge2 91.81(4) . . ?
Ge7 Ge6 Ge5 105.79(4) . . ?
Ge2 Ge6 Ge5 57.98(3) . . ?
Ge7 Ge6 Ge8 57.32(3) . . ?
Ge2 Ge6 Ge8 91.74(3) . . ?
Ge5 Ge6 Ge8 58.24(3) . . ?
Si9 Ge7 Ge4 120.92(6) . . ?
Si9 Ge7 Ge3 123.63(6) . . ?
Ge4 Ge7 Ge3 86.38(4) . . ?
Si9 Ge7 Ge6 122.54(6) . . ?
Ge4 Ge7 Ge6 114.66(4) . . ?
Ge3 Ge7 Ge6 71.49(3) . . ?
Si9 Ge7 Ge8 120.37(6) . . ?
Ge4 Ge7 Ge8 70.96(3) . . ?
Ge3 Ge7 Ge8 114.84(4) . . ?
Ge6 Ge7 Ge8 65.50(3) . . ?
Ge7 Ge8 Ge1 92.17(4) . . ?
Ge7 Ge8 Ge5 105.80(3) . . ?
Ge1 Ge8 Ge5 57.93(3) . . ?
Ge7 Ge8 Ge6 57.18(3) . . ?
Ge1 Ge8 Ge6 92.05(3) . . ?
Ge5 Ge8 Ge6 58.39(3) . . ?
Ge7 Ge8 Ge4 52.93(3) . . ?
Ge1 Ge8 Ge4 53.31(3) . . ?
Ge5 Ge8 Ge4 104.26(3) . . ?
Ge6 Ge8 Ge4 95.97(3) . . ?
C1 Ni1 C2 38.9(3) . . ?
C1 Ni1 C3 66.2(3) . . ?
C2 Ni1 C3 40.1(3) . . ?
C1 Ni1 C4 65.5(3) . . ?
C2 Ni1 C4 65.8(3) . . ?
C3 Ni1 C4 39.1(3) . . ?
C1 Ni1 C5 38.5(3) . . ?
C2 Ni1 C5 64.9(4) . . ?
C3 Ni1 C5 65.6(4) . . ?
C4 Ni1 C5 39.1(3) . . ?
C1 Ni1 Ge1 123.8(3) . . ?
C2 Ni1 Ge1 162.6(3) . . ?
C3 Ni1 Ge1 142.7(3) . . ?
C4 Ni1 Ge1 107.8(2) . . ?
C5 Ni1 Ge1 99.6(3) . . ?
C1 Ni1 Ge2 100.8(2) . . ?
C2 Ni1 Ge2 106.5(2) . . ?
C3 Ni1 Ge2 140.9(3) . . ?
C4 Ni1 Ge2 165.7(2) . . ?
C5 Ni1 Ge2 127.2(2) . . ?
Ge1 Ni1 Ge2 75.87(4) . . ?
C1 Ni1 Ge4 151.1(2) . . ?
C2 Ni1 Ge4 132.2(3) . . ?
C3 Ni1 Ge4 93.9(2) . . ?
C4 Ni1 Ge4 85.8(2) . . ?
C5 Ni1 Ge4 115.2(2) . . ?
Ge1 Ni1 Ge4 60.32(4) . . ?
Ge2 Ni1 Ge4 107.60(5) . . ?
C1 Ni1 Ge3 118.2(3) . . ?
C2 Ni1 Ge3 87.3(3) . . ?
C3 Ni1 Ge3 92.6(3) . . ?
C4 Ni1 Ge3 128.9(3) . . ?
C5 Ni1 Ge3 152.2(3) . . ?
Ge1 Ni1 Ge3 108.17(5) . . ?
Ge2 Ni1 Ge3 60.03(4) . . ?
Ge4 Ni1 Ge3 81.74(4) . . ?
C5 C1 C2 109.1(8) . . ?
C5 C1 Ni1 71.8(5) . . ?
C2 C1 Ni1 71.0(5) . . ?
C5 C1 H1 125.5 . . ?
C2 C1 H1 125.5 . . ?
Ni1 C1 H1 123.3 . . ?
C1 C2 C3 107.6(8) . . ?
C1 C2 Ni1 70.1(5) . . ?
C3 C2 Ni1 70.0(4) . . ?
C1 C2 H2 126.2 . . ?
C3 C2 H2 126.2 . . ?
Ni1 C2 H2 125.3 . . ?
C4 C3 C2 107.0(8) . . ?
C4 C3 Ni1 70.9(4) . . ?
C2 C3 Ni1 69.9(4) . . ?
C4 C3 H3 126.5 . . ?
C2 C3 H3 126.5 . . ?
Ni1 C3 H3 124.3 . . ?
C3 C4 C5 107.8(8) . . ?
C3 C4 Ni1 70.0(5) . . ?
C5 C4 Ni1 70.5(5) . . ?
C3 C4 H4 126.1 . . ?
C5 C4 H4 126.1 . . ?
Ni1 C4 H4 125.0 . . ?
C1 C5 C4 108.5(8) . . ?
C1 C5 Ni1 69.8(5) . . ?
C4 C5 Ni1 70.4(5) . . ?
C1 C5 H5 125.7 . . ?
C4 C5 H5 125.7 . . ?
Ni1 C5 H5 125.7 . . ?
Si2 Si1 Si4 109.29(11) . . ?
Si2 Si1 Si3 108.63(11) . . ?
Si4 Si1 Si3 107.64(10) . . ?
Si2 Si1 Ge1 111.59(9) . . ?
Si4 Si1 Ge1 115.40(10) . . ?
Si3 Si1 Ge1 103.92(9) . . ?
C6 Si2 C7 108.2(4) . . ?
C6 Si2 C8 104.6(4) . . ?
C7 Si2 C8 110.9(5) . . ?
C6 Si2 Si1 113.5(3) . . ?
C7 Si2 Si1 110.2(3) . . ?
C8 Si2 Si1 109.4(3) . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si2 C8 H8A 109.5 . . ?
Si2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C13 Si3 C14 109.2(4) . . ?
C13 Si3 C12 105.6(4) . . ?
C14 Si3 C12 108.4(4) . . ?
C13 Si3 Si1 111.8(2) . . ?
C14 Si3 Si1 110.1(3) . . ?
C12 Si3 Si1 111.5(3) . . ?
Si4 C9 H9A 109.5 . . ?
Si4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si4 C10 H10A 109.5 . . ?
Si4 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si4 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si4 C11 H11A 109.5 . . ?
Si4 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si4 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 Si4 C10 108.7(4) . . ?
C9 Si4 C11 106.4(5) . . ?
C10 Si4 C11 106.5(3) . . ?
C9 Si4 Si1 113.7(3) . . ?
C10 Si4 Si1 113.4(3) . . ?
C11 Si4 Si1 107.7(3) . . ?
Si3 C12 H12A 109.5 . . ?
Si3 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si3 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si3 C13 H13A 109.5 . . ?
Si3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si3 C14 H14A 109.5 . . ?
Si3 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si3 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si8 Si5 Si6 110.27(10) . . ?
Si8 Si5 Si7 106.66(10) . . ?
Si6 Si5 Si7 108.87(10) . . ?
Si8 Si5 Ge2 109.24(9) . . ?
Si6 Si5 Ge2 115.12(9) . . ?
Si7 Si5 Ge2 106.29(9) . . ?
C15 Si6 C16 109.0(4) . . ?
C15 Si6 C17 107.0(4) . . ?
C16 Si6 C17 107.2(4) . . ?
C15 Si6 Si5 111.9(3) . . ?
C16 Si6 Si5 112.7(3) . . ?
C17 Si6 Si5 108.8(3) . . ?
Si6 C15 H15A 109.5 . . ?
Si6 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si6 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si6 C16 H16A 109.5 . . ?
Si6 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si6 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si6 C17 H17A 109.5 . . ?
Si6 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si6 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C20 Si7 C18 108.2(4) . . ?
C20 Si7 C19 107.0(4) . . ?
C18 Si7 C19 108.9(4) . . ?
C20 Si7 Si5 114.5(3) . . ?
C18 Si7 Si5 109.8(3) . . ?
C19 Si7 Si5 108.3(3) . . ?
Si7 C18 H18A 109.5 . . ?
Si7 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si7 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si7 C19 H19A 109.5 . . ?
Si7 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si7 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si7 C20 H20A 109.5 . . ?
Si7 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si7 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 Si8 C23 107.5(4) . . ?
C22 Si8 C21 108.9(3) . . ?
C23 Si8 C21 108.3(4) . . ?
C22 Si8 Si5 110.0(3) . . ?
C23 Si8 Si5 111.9(3) . . ?
C21 Si8 Si5 110.0(2) . . ?
Si8 C21 H21A 109.5 . . ?
Si8 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si8 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si8 C22 H22A 109.5 . . ?
Si8 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si8 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si8 C23 H23A 109.5 . . ?
Si8 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si8 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si12 Si9 Si11 114.37(11) . . ?
Si12 Si9 Si10 111.87(11) . . ?
Si11 Si9 Si10 111.38(11) . . ?
Si12 Si9 Ge7 106.83(9) . . ?
Si11 Si9 Ge7 108.01(9) . . ?
Si10 Si9 Ge7 103.63(10) . . ?
C26 Si10 C25 108.4(5) . . ?
C26 Si10 C24 107.8(5) . . ?
C25 Si10 C24 109.2(6) . . ?
C26 Si10 Si9 110.1(3) . . ?
C25 Si10 Si9 109.6(3) . . ?
C24 Si10 Si9 111.7(3) . . ?
Si10 C24 H24A 109.5 . . ?
Si10 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si10 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si10 C25 H25A 109.5 . . ?
Si10 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si10 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si10 C26 H26A 109.5 . . ?
Si10 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si10 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 Si11 C29 109.5(5) . . ?
C28 Si11 C27 107.8(4) . . ?
C29 Si11 C27 110.1(5) . . ?
C28 Si11 Si9 111.1(3) . . ?
C29 Si11 Si9 109.1(3) . . ?
C27 Si11 Si9 109.2(3) . . ?
Si11 C27 H27A 109.5 . . ?
Si11 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si11 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si11 C28 H28A 109.5 . . ?
Si11 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si11 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si11 C29 H29A 109.5 . . ?
Si11 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si11 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C30 Si12 C31 108.4(5) . . ?
C30 Si12 C32 108.4(5) . . ?
C31 Si12 C32 108.0(5) . . ?
C30 Si12 Si9 111.1(3) . . ?
C31 Si12 Si9 109.7(3) . . ?
C32 Si12 Si9 111.0(3) . . ?
Si12 C30 H30A 109.5 . . ?
Si12 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si12 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si12 C31 H31A 109.5 . . ?
Si12 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si12 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si12 C32 H32A 109.5 . . ?
Si12 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si12 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C2S C1S H1S1 109.5 . . ?
C2S C1S H1S2 109.5 . . ?
H1S1 C1S H1S2 109.5 . . ?
C2S C1S H1S3 109.5 . . ?
H1S1 C1S H1S3 109.5 . . ?
H1S2 C1S H1S3 109.5 . . ?
C3S C2S C1S 123.4(18) . . ?
C3S C2S C7S 122.4(17) . . ?
C1S C2S C7S 114.0(17) . . ?
C2S C3S C4S 118.5(16) . . ?
C2S C3S H3S 120.7 . . ?
C4S C3S H3S 120.7 . . ?
C5S C4S C3S 122.8(17) . . ?
C5S C4S H4S 118.6 . . ?
C3S C4S H4S 118.6 . . ?
C4S C5S C6S 115.9(17) . . ?
C4S C5S H5S 122.1 . . ?
C6S C5S H5S 122.1 . . ?
C7S C6S C5S 128.4(19) . . ?
C7S C6S H6S 115.8 . . ?
C5S C6S H6S 115.8 . . ?
C6S C7S C2S 111.7(18) . . ?
C6S C7S H7S 124.1 . . ?
C2S C7S H7S 124.1 . . ?
C2T C1T H1T1 109.5 . . ?
C2T C1T H1T2 109.5 . . ?
H1T1 C1T H1T2 109.5 . . ?
C2T C1T H1T3 109.5 . . ?
H1T1 C1T H1T3 109.5 . . ?
H1T2 C1T H1T3 109.5 . . ?
C3T C2T C1T 115(4) . . ?
C3T C2T C7T 119(4) . . ?
C1T C2T C7T 126(5) . . ?
C2T C3T C4T 117(3) . . ?
C2T C3T H3T 121.7 . . ?
C4T C3T H3T 121.7 . . ?
C5T C4T C3T 120(5) . . ?
C5T C4T H4T 119.8 . . ?
C3T C4T H4T 119.8 . . ?
C4T C5T C6T 121(4) . . ?
C4T C5T H5T 119.4 . . ?
C6T C5T H5T 119.4 . . ?
C7T C6T C5T 115(4) . . ?
C7T C6T H6T 122.3 . . ?
C5T C6T H6T 122.3 . . ?
C6T C7T C2T 126(5) . . ?
C6T C7T H7T 117.0 . . ?
C2T C7T H7T 117.0 . . ?

_refine_diff_density_max         1.076
_refine_diff_density_min         -1.047
_refine_diff_density_rms         0.139

