#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/24/1532469.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1532469
loop_
_publ_author_name
'Hadlington, Terrance J.'
'Hermann, Markus'
'Frenking, Gernot'
'Jones, Cameron'
_publ_section_title
;
 Two-coordinate group 14 element(ii) hydrides as reagents for the facile,
 and sometimes reversible, hydrogermylation/hydrostannylation of
 unactivated alkenes and alkynes
;
_journal_issue                   12
_journal_name_full               'Chem. Sci.'
_journal_page_first              7249
_journal_paper_doi               10.1039/C5SC03376D
_journal_volume                  6
_journal_year                    2015
_chemical_formula_sum            'C91.5 H111.5 Ge2 N2 Si2'
_chemical_formula_weight         1440.69
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-09-07 deposited with the CCDC.
2015-09-22 downloaded from the CCDC.
;
_cell_angle_alpha                108.61(3)
_cell_angle_beta                 90.43(3)
_cell_angle_gamma                103.93(3)
_cell_formula_units_Z            2
_cell_length_a                   10.806(2)
_cell_length_b                   18.897(4)
_cell_length_c                   21.557(4)
_cell_measurement_temperature    100(2)
_cell_volume                     4032.1(17)
_computing_cell_refinement       'XDS (Kabsch, 1993)'
_computing_data_collection       'Blu-Ice (McPhillips, 2002)'
_computing_data_reduction        'XDS (Kabsch, 1993)'
_computing_molecular_graphics    X-Seed
_computing_publication_material  CifTAB
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.937
_diffrn_measured_fraction_theta_max 0.937
_diffrn_measurement_device_type  'ADSC Quantum 210r'
_diffrn_radiation_source         'Australian Synchrotron'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.71080
_diffrn_reflns_av_R_equivalents  0.0750
_diffrn_reflns_av_sigmaI/netI    0.0570
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            52997
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    0.820
_exptl_absorpt_correction_T_max  0.9918
_exptl_absorpt_correction_T_min  0.9224
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   XDS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.187
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1533
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.189
_refine_diff_density_min         -0.832
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     894
_refine_ls_number_reflns         13668
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0828
_refine_ls_R_factor_gt           0.0609
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0934P)²+5.9756P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1581
_refine_ls_wR_factor_ref         0.1722
_reflns_number_gt                10373
_reflns_number_total             13668
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5sc03376d2.cif
_cod_data_source_block           LGe2C2H4
_cod_depositor_comments
'Adding full bibliography for 1532469--1532486.cif.'
_cod_original_cell_volume        4032.0(14)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C91.50 H111.50 Ge2 N2 Si2'
_cod_database_code               1532469
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ge1 Ge 0.22225(5) 0.62739(3) 0.25613(2) 0.03514(14) Uani 1 1 d .
Ge2 Ge 0.18546(5) 0.42578(2) 0.27132(2) 0.03297(14) Uani 1 1 d .
Si1 Si 0.20938(11) 0.79814(6) 0.27278(5) 0.0247(2) Uani 1 1 d .
Si2 Si 0.09922(11) 0.24755(6) 0.25013(5) 0.0261(2) Uani 1 1 d .
N1 N 0.2907(3) 0.73479(18) 0.29076(14) 0.0227(7) Uani 1 1 d .
N2 N 0.2041(3) 0.32541(18) 0.23334(14) 0.0242(7) Uani 1 1 d .
C1 C 0.4060(4) 0.7630(2) 0.33535(18) 0.0220(8) Uani 1 1 d .
C2 C 0.3998(4) 0.7758(2) 0.40316(18) 0.0218(8) Uani 1 1 d .
C3 C 0.5124(4) 0.8032(2) 0.44476(18) 0.0235(8) Uani 1 1 d .
H3 H 0.5066 0.8131 0.4906 0.028 Uiso 1 1 calc R
C4 C 0.6327(4) 0.8165(2) 0.42201(18) 0.0246(8) Uani 1 1 d .
C5 C 0.6380(4) 0.8033(2) 0.35478(19) 0.0240(8) Uani 1 1 d .
H5 H 0.7193 0.8130 0.3382 0.029 Uiso 1 1 calc R
C6 C 0.5277(4) 0.7763(2) 0.31094(17) 0.0216(8) Uani 1 1 d .
C7 C 0.7544(4) 0.8395(2) 0.46775(19) 0.0273(8) Uani 1 1 d .
H7 H 0.8287 0.8581 0.4445 0.033 Uiso 1 1 calc R
C8 C 0.7718(5) 0.7674(3) 0.4816(3) 0.0409(11) Uani 1 1 d .
H8A H 0.7056 0.7520 0.5090 0.061 Uiso 1 1 calc R
H8B H 0.8566 0.7791 0.5047 0.061 Uiso 1 1 calc R
H8C H 0.7643 0.7251 0.4400 0.061 Uiso 1 1 calc R
C9 C 0.7559(5) 0.9032(3) 0.5333(2) 0.0425(12) Uani 1 1 d .
H9A H 0.7454 0.9495 0.5248 0.064 Uiso 1 1 calc R
H9B H 0.8376 0.9155 0.5593 0.064 Uiso 1 1 calc R
H9C H 0.6855 0.8853 0.5575 0.064 Uiso 1 1 calc R
C10 C 0.2730(4) 0.7585(2) 0.43255(18) 0.0253(8) Uani 1 1 d .
H10 H 0.2055 0.7498 0.3970 0.030 Uiso 1 1 calc R
C11 C 0.2467(4) 0.6825(2) 0.44807(18) 0.0278(9) Uani 1 1 d .
C12 C 0.3396(4) 0.6575(3) 0.4737(2) 0.0347(10) Uani 1 1 d .
H12 H 0.4255 0.6882 0.4821 0.042 Uiso 1 1 calc R
C13 C 0.3098(5) 0.5882(3) 0.4875(2) 0.0408(11) Uani 1 1 d .
H13 H 0.3753 0.5724 0.5051 0.049 Uiso 1 1 calc R
C14 C 0.1868(5) 0.5429(3) 0.4758(2) 0.0412(11) Uani 1 1 d .
H14 H 0.1664 0.4962 0.4858 0.049 Uiso 1 1 calc R
C15 C 0.0926(5) 0.5655(3) 0.4494(2) 0.0429(12) Uani 1 1 d .
H15 H 0.0074 0.5338 0.4406 0.052 Uiso 1 1 calc R
C16 C 0.1217(4) 0.6343(3) 0.4356(2) 0.0362(10) Uani 1 1 d .
H16 H 0.0557 0.6490 0.4173 0.043 Uiso 1 1 calc R
C17 C 0.2531(4) 0.8264(2) 0.49029(18) 0.0250(8) Uani 1 1 d .
C18 C 0.1525(4) 0.8145(3) 0.5299(2) 0.0333(9) Uani 1 1 d .
H18 H 0.1034 0.7635 0.5240 0.040 Uiso 1 1 calc R
C19 C 0.1241(5) 0.8765(3) 0.5775(2) 0.0427(11) Uani 1 1 d .
H19 H 0.0541 0.8674 0.6028 0.051 Uiso 1 1 calc R
C20 C 0.1965(5) 0.9514(3) 0.5887(2) 0.0381(11) Uani 1 1 d .
H20 H 0.1763 0.9937 0.6211 0.046 Uiso 1 1 calc R
C21 C 0.2985(5) 0.9634(3) 0.5519(2) 0.0380(10) Uani 1 1 d .
H21 H 0.3506 1.0143 0.5600 0.046 Uiso 1 1 calc R
C22 C 0.3258(4) 0.9019(3) 0.5030(2) 0.0329(9) Uani 1 1 d .
H22 H 0.3956 0.9117 0.4778 0.040 Uiso 1 1 calc R
C23 C 0.5421(4) 0.7572(2) 0.23715(17) 0.0229(8) Uani 1 1 d .
H23 H 0.4617 0.7616 0.2171 0.027 Uiso 1 1 calc R
C24 C 0.6521(4) 0.8133(2) 0.21967(18) 0.0285(9) Uani 1 1 d .
C25 C 0.6774(4) 0.8930(2) 0.25215(19) 0.0306(9) Uani 1 1 d .
H25 H 0.6282 0.9121 0.2870 0.037 Uiso 1 1 calc R
C26 C 0.7729(5) 0.9444(3) 0.2344(2) 0.0424(12) Uani 1 1 d .
H26 H 0.7873 0.9983 0.2564 0.051 Uiso 1 1 calc R
C27 C 0.8477(6) 0.9174(3) 0.1846(2) 0.0497(14) Uani 1 1 d .
H27 H 0.9138 0.9528 0.1728 0.060 Uiso 1 1 calc R
C28 C 0.8253(6) 0.8388(3) 0.1523(2) 0.0481(13) Uani 1 1 d .
H28 H 0.8762 0.8199 0.1182 0.058 Uiso 1 1 calc R
C29 C 0.7285(5) 0.7877(3) 0.1698(2) 0.0381(11) Uani 1 1 d .
H29 H 0.7138 0.7338 0.1472 0.046 Uiso 1 1 calc R
C30 C 0.5468(4) 0.6739(2) 0.20607(19) 0.0271(8) Uani 1 1 d .
C31 C 0.4719(5) 0.6283(3) 0.1473(2) 0.0362(10) Uani 1 1 d .
H31 H 0.4163 0.6494 0.1285 0.043 Uiso 1 1 calc R
C32 C 0.4773(5) 0.5522(3) 0.1159(2) 0.0433(12) Uani 1 1 d .
H32 H 0.4259 0.5220 0.0759 0.052 Uiso 1 1 calc R
C33 C 0.5567(5) 0.5214(3) 0.1427(3) 0.0485(13) Uani 1 1 d .
H33 H 0.5604 0.4696 0.1213 0.058 Uiso 1 1 calc R
C34 C 0.6325(5) 0.5652(3) 0.2013(2) 0.0438(12) Uani 1 1 d .
H34 H 0.6873 0.5435 0.2200 0.053 Uiso 1 1 calc R
C35 C 0.6271(4) 0.6415(2) 0.2323(2) 0.0337(9) Uani 1 1 d .
H35 H 0.6794 0.6716 0.2720 0.040 Uiso 1 1 calc R
C36 C 0.0985(4) 0.8275(3) 0.3391(2) 0.0342(10) Uani 1 1 d .
H36 H 0.1536 0.8507 0.3817 0.041 Uiso 1 1 calc R
C37 C -0.0056(5) 0.7589(3) 0.3460(3) 0.0453(12) Uani 1 1 d .
H37A H -0.0261 0.7706 0.3918 0.068 Uiso 1 1 calc R
H37B H 0.0262 0.7123 0.3330 0.068 Uiso 1 1 calc R
H37C H -0.0828 0.7502 0.3175 0.068 Uiso 1 1 calc R
C38 C 0.0366(5) 0.8908(3) 0.3326(2) 0.0455(12) Uani 1 1 d .
H38A H -0.0165 0.8715 0.2907 0.068 Uiso 1 1 calc R
H38B H 0.1038 0.9367 0.3342 0.068 Uiso 1 1 calc R
H38C H -0.0169 0.9042 0.3689 0.068 Uiso 1 1 calc R
C39 C 0.1144(5) 0.7523(3) 0.1900(2) 0.0396(11) Uani 1 1 d .
H39 H 0.0894 0.7969 0.1827 0.048 Uiso 1 1 calc R
C40 C -0.0125(6) 0.6941(3) 0.1815(3) 0.0574(14) Uani 1 1 d .
H40A H -0.0534 0.6812 0.1372 0.086 Uiso 1 1 calc R
H40B H -0.0678 0.7159 0.2141 0.086 Uiso 1 1 calc R
H40C H 0.0010 0.6473 0.1877 0.086 Uiso 1 1 calc R
C41 C 0.1964(5) 0.7282(3) 0.1332(2) 0.0419(11) Uani 1 1 d .
H41A H 0.2228 0.6825 0.1343 0.063 Uiso 1 1 calc R
H41B H 0.2725 0.7706 0.1376 0.063 Uiso 1 1 calc R
H41C H 0.1464 0.7161 0.0913 0.063 Uiso 1 1 calc R
C42 C 0.3325(5) 0.8872(2) 0.2707(2) 0.0349(10) Uani 1 1 d .
H42 H 0.4057 0.8688 0.2490 0.042 Uiso 1 1 calc R
C43 C 0.3876(5) 0.9436(3) 0.3402(2) 0.0407(11) Uani 1 1 d .
H43A H 0.4541 0.9871 0.3364 0.061 Uiso 1 1 calc R
H43B H 0.4246 0.9165 0.3644 0.061 Uiso 1 1 calc R
H43C H 0.3188 0.9628 0.3638 0.061 Uiso 1 1 calc R
C44 C 0.2877(5) 0.9315(3) 0.2296(2) 0.0450(12) Uani 1 1 d .
H44A H 0.2140 0.9496 0.2482 0.067 Uiso 1 1 calc R
H44B H 0.2629 0.8971 0.1841 0.067 Uiso 1 1 calc R
H44C H 0.3576 0.9758 0.2303 0.067 Uiso 1 1 calc R
C45 C 0.3047(4) 0.3182(2) 0.18982(18) 0.0229(8) Uani 1 1 d .
C46 C 0.2821(4) 0.3102(2) 0.12251(18) 0.0256(8) Uani 1 1 d .
C47 C 0.3835(4) 0.3071(2) 0.08278(19) 0.0309(9) Uani 1 1 d .
H47 H 0.3671 0.3009 0.0377 0.037 Uiso 1 1 calc R
C48 C 0.5063(4) 0.3127(2) 0.1057(2) 0.0326(9) Uani 1 1 d .
C49 C 0.5262(4) 0.3196(3) 0.1708(2) 0.0339(10) Uani 1 1 d .
H49 H 0.6096 0.3226 0.1876 0.041 Uiso 1 1 calc R
C50 C 0.4295(4) 0.3226(2) 0.21306(18) 0.0264(8) Uani 1 1 d .
C51 C 0.6165(5) 0.3087(3) 0.0606(2) 0.0482(12) Uani 1 1 d .
H51 H 0.6339 0.2568 0.0514 0.058 Uiso 1 1 calc R
C52 C 0.5897(8) 0.3180(5) -0.0020(3) 0.089(2) Uani 1 1 d .
H52A H 0.5246 0.2726 -0.0293 0.134 Uiso 1 1 calc R
H52B H 0.6683 0.3235 -0.0243 0.134 Uiso 1 1 calc R
H52C H 0.5581 0.3643 0.0055 0.134 Uiso 1 1 calc R
C53 C 0.7414(6) 0.3706(4) 0.0938(3) 0.0575(15) Uani 1 1 d .
H53A H 0.8085 0.3666 0.0635 0.086 Uiso 1 1 calc R
H53B H 0.7689 0.3624 0.1339 0.086 Uiso 1 1 calc R
H53C H 0.7261 0.4221 0.1052 0.086 Uiso 1 1 calc R
C54 C 0.1520(4) 0.3059(2) 0.09200(18) 0.0261(8) Uani 1 1 d .
H54 H 0.0964 0.3156 0.1291 0.031 Uiso 1 1 calc R
C55 C 0.1564(4) 0.3697(2) 0.06232(19) 0.0284(9) Uani 1 1 d .
C56 C 0.1118(5) 0.4334(3) 0.0961(2) 0.0380(10) Uani 1 1 d .
H56 H 0.0796 0.4368 0.1376 0.046 Uiso 1 1 calc R
C57 C 0.1139(5) 0.4926(3) 0.0700(3) 0.0504(14) Uani 1 1 d .
H57 H 0.0825 0.5354 0.0937 0.060 Uiso 1 1 calc R
C58 C 0.1601(6) 0.4893(3) 0.0112(3) 0.0536(14) Uani 1 1 d .
H58 H 0.1630 0.5301 -0.0058 0.064 Uiso 1 1 calc R
C59 C 0.2034(5) 0.4258(3) -0.0239(2) 0.0478(13) Uani 1 1 d .
H59 H 0.2352 0.4229 -0.0654 0.057 Uiso 1 1 calc R
C60 C 0.2004(5) 0.3664(3) 0.0014(2) 0.0376(10) Uani 1 1 d .
H60 H 0.2288 0.3228 -0.0234 0.045 Uiso 1 1 calc R
C61 C 0.0839(4) 0.2273(2) 0.04269(19) 0.0295(9) Uani 1 1 d .
C62 C -0.0382(5) 0.2179(3) 0.0154(2) 0.0408(11) Uani 1 1 d .
H62 H -0.0741 0.2610 0.0262 0.049 Uiso 1 1 calc R
C63 C -0.1091(6) 0.1476(3) -0.0268(3) 0.0527(13) Uani 1 1 d .
H63 H -0.1926 0.1426 -0.0447 0.063 Uiso 1 1 calc R
C64 C -0.0573(6) 0.0844(3) -0.0430(3) 0.0550(15) Uani 1 1 d .
H64 H -0.1057 0.0356 -0.0716 0.066 Uiso 1 1 calc R
C65 C 0.0625(6) 0.0923(3) -0.0178(2) 0.0492(13) Uani 1 1 d .
H65 H 0.0975 0.0487 -0.0291 0.059 Uiso 1 1 calc R
C66 C 0.1358(5) 0.1636(3) 0.0247(2) 0.0380(11) Uani 1 1 d .
H66 H 0.2203 0.1685 0.0411 0.046 Uiso 1 1 calc R
C67 C 0.4660(4) 0.3316(2) 0.28481(19) 0.0284(9) Uani 1 1 d .
H67 H 0.3868 0.3333 0.3083 0.034 Uiso 1 1 calc R
C68 C 0.5121(4) 0.2635(2) 0.2921(2) 0.0308(9) Uani 1 1 d .
C69 C 0.5178(4) 0.1984(3) 0.2404(2) 0.0357(10) Uani 1 1 d .
H69 H 0.4957 0.1952 0.1967 0.043 Uiso 1 1 calc R
C70 C 0.5556(5) 0.1373(3) 0.2515(2) 0.0407(11) Uani 1 1 d .
H70 H 0.5573 0.0927 0.2154 0.049 Uiso 1 1 calc R
C71 C 0.5906(5) 0.1413(3) 0.3148(3) 0.0444(12) Uani 1 1 d .
H71 H 0.6169 0.1002 0.3225 0.053 Uiso 1 1 calc R
C72 C 0.5864(5) 0.2064(3) 0.3662(3) 0.0516(13) Uani 1 1 d .
H72 H 0.6117 0.2103 0.4097 0.062 Uiso 1 1 calc R
C73 C 0.5459(5) 0.2662(3) 0.3557(2) 0.0449(12) Uani 1 1 d .
H73 H 0.5411 0.3096 0.3922 0.054 Uiso 1 1 calc R
C74 C 0.5650(4) 0.4085(3) 0.3189(2) 0.0339(10) Uani 1 1 d .
C75 C 0.6963(5) 0.4178(3) 0.3110(2) 0.0427(11) Uani 1 1 d .
H75 H 0.7253 0.3747 0.2856 0.051 Uiso 1 1 calc R
C76 C 0.7846(5) 0.4886(3) 0.3395(3) 0.0530(14) Uani 1 1 d .
H76 H 0.8724 0.4945 0.3318 0.064 Uiso 1 1 calc R
C77 C 0.7434(6) 0.5506(3) 0.3792(3) 0.0597(16) Uani 1 1 d .
H77 H 0.8030 0.5991 0.3997 0.072 Uiso 1 1 calc R
C78 C 0.6157(5) 0.5416(3) 0.3889(3) 0.0582(15) Uani 1 1 d .
H78 H 0.5876 0.5841 0.4162 0.070 Uiso 1 1 calc R
C79 C 0.5272(5) 0.4711(3) 0.3591(2) 0.0411(11) Uani 1 1 d .
H79 H 0.4395 0.4660 0.3666 0.049 Uiso 1 1 calc R
C80 C -0.0454(4) 0.2033(2) 0.1874(2) 0.0348(10) Uani 1 1 d .
H80 H -0.0112 0.1874 0.1435 0.042 Uiso 1 1 calc R
C81 C -0.1294(5) 0.2572(3) 0.1836(2) 0.0414(11) Uani 1 1 d .
H81A H -0.1841 0.2347 0.1420 0.062 Uiso 1 1 calc R
H81B H -0.0746 0.3077 0.1859 0.062 Uiso 1 1 calc R
H81C H -0.1831 0.2636 0.2204 0.062 Uiso 1 1 calc R
C82 C -0.1311(5) 0.1289(3) 0.1949(3) 0.0589(15) Uani 1 1 d .
H82A H -0.1602 0.1405 0.2391 0.088 Uiso 1 1 calc R
H82B H -0.0820 0.0901 0.1881 0.088 Uiso 1 1 calc R
H82C H -0.2054 0.1089 0.1622 0.088 Uiso 1 1 calc R
C83 C 0.1887(4) 0.1714(2) 0.2458(2) 0.0303(9) Uani 1 1 d .
H83 H 0.2782 0.2005 0.2648 0.036 Uiso 1 1 calc R
C84 C 0.2001(5) 0.1219(2) 0.1751(2) 0.0360(10) Uani 1 1 d .
H84A H 0.2475 0.0840 0.1761 0.054 Uiso 1 1 calc R
H84B H 0.2457 0.1553 0.1515 0.054 Uiso 1 1 calc R
H84C H 0.1143 0.0948 0.1528 0.054 Uiso 1 1 calc R
C85 C 0.1407(6) 0.1184(3) 0.2871(3) 0.0516(14) Uani 1 1 d .
H85A H 0.0516 0.0895 0.2717 0.077 Uiso 1 1 calc R
H85B H 0.1458 0.1499 0.3334 0.077 Uiso 1 1 calc R
H85C H 0.1941 0.0821 0.2822 0.077 Uiso 1 1 calc R
C86 C 0.0489(5) 0.2795(3) 0.3371(2) 0.0431(11) Uani 1 1 d .
H86 H 0.0086 0.2295 0.3440 0.052 Uiso 1 1 calc R
C87 C -0.0531(6) 0.3232(3) 0.3539(3) 0.0560(14) Uani 1 1 d .
H87A H -0.0667 0.3338 0.4005 0.084 Uiso 1 1 calc R
H87B H -0.1332 0.2921 0.3270 0.084 Uiso 1 1 calc R
H87C H -0.0256 0.3721 0.3450 0.084 Uiso 1 1 calc R
C88 C 0.1633(6) 0.3150(3) 0.3892(2) 0.0527(14) Uani 1 1 d .
H88A H 0.2081 0.3660 0.3875 0.079 Uiso 1 1 calc R
H88B H 0.2219 0.2814 0.3806 0.079 Uiso 1 1 calc R
H88C H 0.1331 0.3205 0.4328 0.079 Uiso 1 1 calc R
C89 C 0.3368(4) 0.5813(2) 0.2935(2) 0.0307(9) Uani 1 1 d .
H89A H 0.4265 0.6122 0.2977 0.037 Uiso 1 1 calc R
H89B H 0.3135 0.5814 0.3379 0.037 Uiso 1 1 calc R
C90 C 0.3246(4) 0.4970(2) 0.2480(2) 0.0321(9) Uani 1 1 d .
H90A H 0.4060 0.4829 0.2523 0.039 Uiso 1 1 calc R
H90B H 0.3080 0.4932 0.2016 0.039 Uiso 1 1 calc R
C91 C -0.498(2) 0.0067(14) -0.0324(6) 0.133(7) Uiso 0.50 1 d PD
H91A H -0.5326 -0.0431 -0.0680 0.160 Uiso 0.50 1 calc PR
H91B H -0.4081 0.0275 -0.0395 0.160 Uiso 0.50 1 calc PR
C93 C -0.5464(17) 0.0810(10) -0.0968(8) 0.096(5) Uiso 0.50 1 d PD
H93A H -0.4585 0.1131 -0.0918 0.144 Uiso 0.50 1 calc PR
H93B H -0.6063 0.1091 -0.1052 0.144 Uiso 0.50 1 calc PR
H93C H -0.5558 0.0331 -0.1338 0.144 Uiso 0.50 1 calc PR
C92 C -0.574(3) 0.0621(16) -0.0352(11) 0.168(10) Uiso 0.50 1 d PD
H92A H -0.6670 0.0384 -0.0362 0.202 Uiso 0.50 1 calc PR
H92B H -0.5494 0.1096 0.0037 0.202 Uiso 0.50 1 calc PR
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
N1 Ge1 C89 106.08(16) .
N2 Ge2 C90 108.55(16) .
N1 Si1 C39 111.58(18) .
N1 Si1 C42 108.49(18) .
C39 Si1 C42 107.7(2) .
N1 Si1 C36 109.96(17) .
C39 Si1 C36 109.7(2) .
C42 Si1 C36 109.3(2) .
N2 Si2 C80 110.71(18) .
N2 Si2 C83 108.39(18) .
C80 Si2 C83 108.9(2) .
N2 Si2 C86 110.99(19) .
C80 Si2 C86 111.0(2) .
C83 Si2 C86 106.6(2) .
C1 N1 Si1 122.1(2) .
C1 N1 Ge1 117.5(2) .
Si1 N1 Ge1 120.24(17) .
C45 N2 Si2 124.8(2) .
C45 N2 Ge2 115.3(2) .
Si2 N2 Ge2 119.87(18) .
C2 C1 C6 118.8(3) .
C2 C1 N1 121.0(4) .
C6 C1 N1 120.2(3) .
C3 C2 C1 119.6(4) .
C3 C2 C10 118.4(3) .
C1 C2 C10 121.9(3) .
C4 C3 C2 122.6(3) .
C3 C4 C5 117.4(4) .
C3 C4 C7 121.5(3) .
C5 C4 C7 121.0(4) .
C4 C5 C6 122.2(4) .
C5 C6 C1 119.3(3) .
C5 C6 C23 118.9(4) .
C1 C6 C23 121.7(3) .
C4 C7 C9 114.4(3) .
C4 C7 C8 108.5(3) .
C9 C7 C8 109.0(4) .
C2 C10 C17 114.1(3) .
C2 C10 C11 112.7(3) .
C17 C10 C11 112.8(3) .
C12 C11 C16 116.9(4) .
C12 C11 C10 124.0(4) .
C16 C11 C10 119.1(4) .
C11 C12 C13 121.6(4) .
C14 C13 C12 120.3(5) .
C13 C14 C15 119.6(4) .
C14 C15 C16 120.4(5) .
C15 C16 C11 121.3(4) .
C22 C17 C18 117.2(4) .
C22 C17 C10 122.5(4) .
C18 C17 C10 120.1(4) .
C19 C18 C17 120.9(4) .
C20 C19 C18 121.0(4) .
C21 C20 C19 118.6(4) .
C20 C21 C22 120.8(4) .
C17 C22 C21 121.4(4) .
C30 C23 C24 112.2(3) .
C30 C23 C6 111.0(3) .
C24 C23 C6 114.6(3) .
C29 C24 C25 117.5(4) .
C29 C24 C23 121.7(4) .
C25 C24 C23 120.8(3) .
C26 C25 C24 121.1(4) .
C25 C26 C27 120.3(4) .
C28 C27 C26 119.6(4) .
C27 C28 C29 119.8(4) .
C28 C29 C24 121.7(4) .
C35 C30 C31 118.1(4) .
C35 C30 C23 122.3(4) .
C31 C30 C23 119.5(4) .
C32 C31 C30 121.3(4) .
C33 C32 C31 119.7(4) .
C32 C33 C34 120.5(4) .
C33 C34 C35 119.4(5) .
C30 C35 C34 121.0(4) .
C38 C36 C37 110.0(4) .
C38 C36 Si1 113.7(3) .
C37 C36 Si1 113.9(3) .
C40 C39 C41 112.3(4) .
C40 C39 Si1 120.3(4) .
C41 C39 Si1 113.4(3) .
C44 C42 C43 109.8(4) .
C44 C42 Si1 114.9(3) .
C43 C42 Si1 112.7(3) .
C50 C45 C46 117.9(4) .
C50 C45 N2 121.4(3) .
C46 C45 N2 120.7(3) .
C47 C46 C45 119.0(4) .
C47 C46 C54 118.3(3) .
C45 C46 C54 122.7(4) .
C48 C47 C46 123.3(4) .
C49 C48 C47 116.9(4) .
C49 C48 C51 120.8(4) .
C47 C48 C51 122.3(4) .
C48 C49 C50 122.8(4) .
C49 C50 C45 120.1(4) .
C49 C50 C67 117.2(4) .
C45 C50 C67 122.7(4) .
C52 C51 C48 114.5(5) .
C52 C51 C53 106.8(5) .
C48 C51 C53 112.1(4) .
C46 C54 C55 112.7(3) .
C46 C54 C61 115.0(3) .
C55 C54 C61 110.4(3) .
C60 C55 C56 117.6(4) .
C60 C55 C54 122.7(4) .
C56 C55 C54 119.7(4) .
C55 C56 C57 121.0(5) .
C58 C57 C56 120.6(5) .
C57 C58 C59 119.6(5) .
C58 C59 C60 120.2(5) .
C55 C60 C59 121.1(5) .
C62 C61 C66 117.8(4) .
C62 C61 C54 118.3(4) .
C66 C61 C54 123.8(4) .
C63 C62 C61 122.0(5) .
C62 C63 C64 119.4(5) .
C65 C64 C63 119.8(5) .
C64 C65 C66 121.2(5) .
C61 C66 C65 119.7(5) .
C74 C67 C50 111.2(3) .
C74 C67 C68 110.8(3) .
C50 C67 C68 113.4(3) .
C69 C68 C73 117.7(4) .
C69 C68 C67 124.8(4) .
C73 C68 C67 117.5(4) .
C68 C69 C70 121.2(4) .
C71 C70 C69 120.4(5) .
C72 C71 C70 118.6(4) .
C71 C72 C73 121.3(5) .
C72 C73 C68 120.8(5) .
C79 C74 C75 117.6(4) .
C79 C74 C67 120.4(4) .
C75 C74 C67 121.9(4) .
C76 C75 C74 121.6(4) .
C77 C76 C75 119.3(5) .
C78 C77 C76 119.6(5) .
C77 C78 C79 120.9(5) .
C74 C79 C78 120.9(5) .
C81 C80 C82 109.0(4) .
C81 C80 Si2 116.2(3) .
C82 C80 Si2 112.5(4) .
C84 C83 C85 109.7(4) .
C84 C83 Si2 113.2(3) .
C85 C83 Si2 115.9(3) .
C87 C86 C88 111.3(4) .
C87 C86 Si2 121.4(4) .
C88 C86 Si2 112.5(3) .
C90 C89 Ge1 109.5(3) .
C89 C90 Ge2 110.3(3) .
C91 C91 C92 112(2) 2_455
C93 C92 C91 106.7(14) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 N1 1.877(3) .
Ge1 C89 1.973(4) .
Ge2 N2 1.872(3) .
Ge2 C90 1.948(5) .
Si1 N1 1.776(3) .
Si1 C39 1.884(4) .
Si1 C42 1.891(5) .
Si1 C36 1.905(5) .
Si2 N2 1.767(3) .
Si2 C80 1.894(5) .
Si2 C83 1.898(4) .
Si2 C86 1.905(5) .
N1 C1 1.448(5) .
N2 C45 1.445(5) .
C1 C2 1.408(5) .
C1 C6 1.416(6) .
C2 C3 1.391(5) .
C2 C10 1.522(5) .
C3 C4 1.388(6) .
C4 C5 1.394(5) .
C4 C7 1.524(5) .
C5 C6 1.399(5) .
C6 C23 1.533(5) .
C7 C9 1.533(6) .
C7 C8 1.537(6) .
C10 C17 1.536(5) .
C10 C11 1.539(6) .
C11 C12 1.386(6) .
C11 C16 1.404(6) .
C12 C13 1.399(6) .
C13 C14 1.369(7) .
C14 C15 1.377(7) .
C15 C16 1.389(7) .
C17 C22 1.391(6) .
C17 C18 1.407(6) .
C18 C19 1.389(6) .
C19 C20 1.386(7) .
C20 C21 1.380(7) .
C21 C22 1.392(6) .
C23 C30 1.515(5) .
C23 C24 1.528(6) .
C24 C29 1.396(6) .
C24 C25 1.399(6) .
C25 C26 1.384(6) .
C26 C27 1.388(7) .
C27 C28 1.384(7) .
C28 C29 1.385(7) .
C30 C35 1.385(6) .
C30 C31 1.397(6) .
C31 C32 1.396(6) .
C32 C33 1.363(8) .
C33 C34 1.394(7) .
C34 C35 1.398(6) .
C36 C38 1.545(6) .
C36 C37 1.546(7) .
C39 C40 1.506(8) .
C39 C41 1.532(6) .
C42 C44 1.543(6) .
C42 C43 1.548(6) .
C45 C50 1.409(6) .
C45 C46 1.423(5) .
C46 C47 1.397(6) .
C46 C54 1.521(6) .
C47 C48 1.381(6) .
C48 C49 1.378(6) .
C48 C51 1.543(7) .
C49 C50 1.391(6) .
C50 C67 1.538(5) .
C51 C52 1.451(8) .
C51 C53 1.547(8) .
C54 C55 1.526(5) .
C54 C61 1.527(5) .
C55 C60 1.387(6) .
C55 C56 1.392(6) .
C56 C57 1.399(7) .
C57 C58 1.354(8) .
C58 C59 1.388(8) .
C59 C60 1.390(6) .
C61 C62 1.388(6) .
C61 C66 1.394(6) .
C62 C63 1.382(7) .
C63 C64 1.385(8) .
C64 C65 1.355(8) .
C65 C66 1.404(7) .
C67 C74 1.533(6) .
C67 C68 1.539(5) .
C68 C69 1.385(6) .
C68 C73 1.399(6) .
C69 C70 1.400(6) .
C70 C71 1.386(7) .
C71 C72 1.378(8) .
C72 C73 1.385(7) .
C74 C79 1.381(6) .
C74 C75 1.404(7) .
C75 C76 1.389(7) .
C76 C77 1.386(8) .
C77 C78 1.374(8) .
C78 C79 1.390(7) .
C80 C81 1.538(6) .
C80 C82 1.543(7) .
C83 C84 1.536(6) .
C83 C85 1.545(6) .
C86 C87 1.510(7) .
C86 C88 1.529(8) .
C89 C90 1.554(6) .
C91 C91 1.495(8) 2_455
C91 C92 1.496(8) .
C93 C92 1.495(8) .
