# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_fl190224o1_a
_database_code_depnum_ccdc_archive 'CCDC 2007009'
loop_
_audit_author_name
_audit_author_address
'Felicitas Lips'
;Westfaelische Wilhelms Universitaet Muenster
Germany
;
_audit_update_record             
;
2020-06-01 deposited with the CCDC.	2020-07-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H36 Cl Ge N3 Si'
_chemical_formula_weight         478.67

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_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+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'

_cell_length_a                   9.9016(2)
_cell_length_b                   13.3519(3)
_cell_length_c                   18.7267(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2475.77(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9860
_cell_measurement_theta_min      2.33
_cell_measurement_theta_max      27.14

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.284
_exptl_crystal_F_000             1008
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.554
_exptl_crystal_size_mid          0.337
_exptl_crystal_size_min          0.154
_exptl_absorpt_coefficient_mu    1.406
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5401
_exptl_absorpt_correction_T_max  0.6788
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            34910
_diffrn_reflns_av_unetI/netI     0.0369
_diffrn_reflns_av_R_equivalents  0.0534
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.873
_diffrn_reflns_theta_max         27.142
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5468
_reflns_number_gt                5316
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.773
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    1.000

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0246P)²+0.4029P] 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_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.050(8)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         5468
_refine_ls_number_parameters     275
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0230
_refine_ls_R_factor_gt           0.0220
_refine_ls_wR_factor_ref         0.0587
_refine_ls_wR_factor_gt          0.0584
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.000
_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 0.54919(3) 0.63384(2) 0.59433(2) 0.01562(8) Uani 0.9381(12) 1 d . . P A
1
Cl1 Cl 0.32499(6) 0.61041(6) 0.62716(4) 0.02567(16) Uani 0.9381(12) 1 d . . P A
1
Ge1A Ge 0.4469(5) 0.5685(3) 0.5925(3) 0.0279(15) Uani 0.0619(12) 1 d . . P A 2
Cl1A Cl 0.5680(14) 0.7050(8) 0.6208(6) 0.036(3) Uani 0.0619(12) 1 d . . P A 2
Si1 Si 0.56983(7) 0.38942(5) 0.55741(3) 0.01763(15) Uani 1 1 d . . . . .
N1 N 0.6197(2) 0.50070(15) 0.59761(12) 0.0161(4) Uani 1 1 d . . . . .
N2 N 0.4995(2) 0.63176(18) 0.48625(11) 0.0203(4) Uani 1 1 d . . . . .
N3 N 0.4459(2) 0.70663(16) 0.27262(11) 0.0225(4) Uani 1 1 d . . . . .
C1 C 0.7309(2) 0.50283(18) 0.64685(12) 0.0143(5) Uani 1 1 d . . . . .
C2 C 0.7044(3) 0.50294(18) 0.72130(13) 0.0175(5) Uani 1 1 d . . . . .
C3 C 0.8138(3) 0.51527(19) 0.76829(14) 0.0200(5) Uani 1 1 d . . . . .
H3 H 0.797221 0.516982 0.818248 0.024 Uiso 1 1 calc R U . . .
C4 C 0.9439(3) 0.52492(18) 0.74395(13) 0.0207(5) Uani 1 1 d . . . . .
H4 H 1.015934 0.533470 0.776877 0.025 Uiso 1 1 calc R U . . .
C5 C 0.9700(3) 0.52216(18) 0.67121(14) 0.0195(5) Uani 1 1 d . . . . .
H5 H 1.060392 0.527409 0.654655 0.023 Uiso 1 1 calc R U . . .
C6 C 0.8649(2) 0.51175(17) 0.62205(13) 0.0150(5) Uani 1 1 d . . . . .
C7 C 0.5647(3) 0.4891(2) 0.75196(13) 0.0224(5) Uani 1 1 d . . . . .
H7 H 0.501018 0.478410 0.711217 0.027 Uiso 1 1 calc R U . . .
C8 C 0.5579(3) 0.3964(2) 0.79997(14) 0.0309(6) Uani 1 1 d . . . . .
H8A H 0.466234 0.389302 0.819069 0.046 Uiso 1 1 calc R U . . .
H8B H 0.581102 0.336744 0.772059 0.046 Uiso 1 1 calc R U . . .
H8C H 0.621941 0.403826 0.839507 0.046 Uiso 1 1 calc R U . . .
C9 C 0.5180(3) 0.5825(3) 0.79272(16) 0.0362(8) Uani 1 1 d . . . . .
H9A H 0.427176 0.571087 0.811911 0.054 Uiso 1 1 calc R U . . .
H9B H 0.580602 0.596003 0.832072 0.054 Uiso 1 1 calc R U . . .
H9C H 0.516256 0.639980 0.760223 0.054 Uiso 1 1 calc R U . . .
C10 C 0.8990(3) 0.51184(18) 0.54319(13) 0.0166(5) Uani 1 1 d . . . . .
H10 H 0.812477 0.505538 0.516013 0.020 Uiso 1 1 calc R U . . .
C11 C 0.9891(3) 0.4231(2) 0.52254(16) 0.0284(7) Uani 1 1 d . . . . .
H11A H 1.008751 0.425853 0.471285 0.043 Uiso 1 1 calc R U . . .
H11B H 1.073780 0.426345 0.549519 0.043 Uiso 1 1 calc R U . . .
H11C H 0.942342 0.360265 0.533600 0.043 Uiso 1 1 calc R U . . .
C12 C 0.9662(3) 0.6094(2) 0.52060(14) 0.0253(6) Uani 1 1 d . . . . .
H12A H 0.986852 0.606900 0.469447 0.038 Uiso 1 1 calc R U . . .
H12B H 0.905098 0.665538 0.530163 0.038 Uiso 1 1 calc R U . . .
H12C H 1.050061 0.618559 0.547657 0.038 Uiso 1 1 calc R U . . .
C13 C 0.6634(3) 0.2835(2) 0.59977(16) 0.0296(6) Uani 1 1 d . . . . .
H13A H 0.635950 0.220295 0.577454 0.044 Uiso 1 1 calc R U . . .
H13B H 0.760698 0.293248 0.593162 0.044 Uiso 1 1 calc R U . . .
H13C H 0.642659 0.281331 0.650915 0.044 Uiso 1 1 calc R U . . .
C14 C 0.6049(3) 0.3840(2) 0.45902(13) 0.0262(6) Uani 1 1 d . . . . .
H14A H 0.574290 0.319476 0.440020 0.039 Uiso 1 1 calc R U . . .
H14B H 0.556596 0.438398 0.434916 0.039 Uiso 1 1 calc R U . . .
H14C H 0.702139 0.391243 0.450745 0.039 Uiso 1 1 calc R U . . .
C15 C 0.3849(3) 0.3681(3) 0.56736(17) 0.0383(7) Uani 1 1 d . . . . .
H15A H 0.360091 0.304918 0.544173 0.057 Uiso 1 1 calc R U . . .
H15B H 0.361772 0.364812 0.618191 0.057 Uiso 1 1 calc R U . . .
H15C H 0.335416 0.423366 0.544939 0.057 Uiso 1 1 calc R U . . .
C16 C 0.3774(3) 0.6244(2) 0.45518(13) 0.0221(5) Uani 1 1 d . . . . .
H16 H 0.303081 0.603443 0.483552 0.027 Uiso 1 1 calc R U . . .
C17 C 0.3549(3) 0.6459(2) 0.38409(13) 0.0215(5) Uani 1 1 d . . . . .
H17 H 0.267131 0.638477 0.364335 0.026 Uiso 1 1 calc R U . . .
C18 C 0.4631(3) 0.67911(18) 0.34066(13) 0.0186(5) Uani 1 1 d . . . . .
C19 C 0.5914(3) 0.6830(2) 0.37413(14) 0.0199(5) Uani 1 1 d . . . . .
H19 H 0.668891 0.701643 0.347373 0.024 Uiso 1 1 calc R U . . .
C20 C 0.6034(3) 0.65992(19) 0.44443(14) 0.0210(5) Uani 1 1 d . . . . .
H20 H 0.690533 0.663927 0.465450 0.025 Uiso 1 1 calc R U . . .
C21 C 0.3135(3) 0.7008(3) 0.23918(16) 0.0329(7) Uani 1 1 d . . . . .
H21A H 0.247881 0.738018 0.268023 0.049 Uiso 1 1 calc R U . . .
H21B H 0.285552 0.630599 0.235768 0.049 Uiso 1 1 calc R U . . .
H21C H 0.317914 0.730025 0.191216 0.049 Uiso 1 1 calc R U . . .
C22 C 0.5615(3) 0.7352(2) 0.22853(14) 0.0258(6) Uani 1 1 d . . . . .
H22A H 0.529239 0.764404 0.183660 0.039 Uiso 1 1 calc R U . . .
H22B H 0.616202 0.675756 0.218211 0.039 Uiso 1 1 calc R U . . .
H22C H 0.616441 0.784485 0.254173 0.039 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge1 N1 1.911(2) . ?
Ge1 N2 2.083(2) . ?
Ge1 Cl1 2.3247(7) . ?
Ge1A N1 1.938(5) . ?
Ge1A N2 2.223(5) . ?
Ge1A Cl1A 2.245(12) . ?
Ge1A Si1 2.762(5) . ?
Si1 N1 1.737(2) . ?
Si1 C15 1.863(3) . ?
Si1 C13 1.868(3) . ?
Si1 C14 1.876(3) . ?
N1 C1 1.436(3) . ?
N2 C16 1.345(3) . ?
N2 C20 1.346(3) . ?
N3 C18 1.337(3) . ?
N3 C21 1.455(4) . ?
N3 C22 1.462(3) . ?
C1 C6 1.411(3) . ?
C1 C2 1.419(3) . ?
C2 C3 1.405(4) . ?
C2 C7 1.509(4) . ?
C3 C4 1.373(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.387(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.396(3) . ?
C5 H5 0.9500 . ?
C6 C10 1.515(3) . ?
C7 C8 1.531(4) . ?
C7 C9 1.534(4) . ?
C7 H7 1.0000 . ?
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 C12 1.523(4) . ?
C10 C11 1.533(4) . ?
C10 H10 1.0000 . ?
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 C17 1.380(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.416(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.417(4) . ?
C19 C20 1.357(4) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ge1 N2 96.04(9) . . ?
N1 Ge1 Cl1 102.44(6) . . ?
N2 Ge1 Cl1 91.69(6) . . ?
N1 Ge1A N2 90.9(2) . . ?
N1 Ge1A Cl1A 84.0(4) . . ?
N2 Ge1A Cl1A 77.2(4) . . ?
N1 Ge1A Si1 38.60(11) . . ?
N2 Ge1A Si1 90.74(18) . . ?
Cl1A Ge1A Si1 121.6(4) . . ?
N1 Si1 C15 111.54(13) . . ?
N1 Si1 C13 108.81(11) . . ?
C15 Si1 C13 109.24(16) . . ?
N1 Si1 C14 113.95(12) . . ?
C15 Si1 C14 105.91(13) . . ?
C13 Si1 C14 107.21(14) . . ?
N1 Si1 Ge1A 44.11(12) . . ?
C15 Si1 Ge1A 71.05(16) . . ?
C13 Si1 Ge1A 140.63(14) . . ?
C14 Si1 Ge1A 110.40(14) . . ?
C1 N1 Si1 120.88(16) . . ?
C1 N1 Ge1 106.40(15) . . ?
Si1 N1 Ge1 132.65(12) . . ?
C1 N1 Ge1A 134.4(2) . . ?
Si1 N1 Ge1A 97.29(17) . . ?
C16 N2 C20 117.1(2) . . ?
C16 N2 Ge1 129.31(17) . . ?
C20 N2 Ge1 112.39(17) . . ?
C16 N2 Ge1A 98.6(2) . . ?
C20 N2 Ge1A 143.7(2) . . ?
C18 N3 C21 120.7(2) . . ?
C18 N3 C22 120.7(2) . . ?
C21 N3 C22 118.4(2) . . ?
C6 C1 C2 119.8(2) . . ?
C6 C1 N1 120.7(2) . . ?
C2 C1 N1 119.3(2) . . ?
C3 C2 C1 118.2(2) . . ?
C3 C2 C7 118.9(2) . . ?
C1 C2 C7 122.9(2) . . ?
C4 C3 C2 121.8(2) . . ?
C4 C3 H3 119.1 . . ?
C2 C3 H3 119.1 . . ?
C3 C4 C5 119.9(2) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 120.8(2) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C1 119.5(2) . . ?
C5 C6 C10 118.5(2) . . ?
C1 C6 C10 122.0(2) . . ?
C2 C7 C8 111.3(2) . . ?
C2 C7 C9 111.5(2) . . ?
C8 C7 C9 110.6(2) . . ?
C2 C7 H7 107.8 . . ?
C8 C7 H7 107.8 . . ?
C9 C7 H7 107.8 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 C12 111.6(2) . . ?
C6 C10 C11 112.0(2) . . ?
C12 C10 C11 109.7(2) . . ?
C6 C10 H10 107.8 . . ?
C12 C10 H10 107.8 . . ?
C11 C10 H10 107.8 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N2 C16 C17 123.2(2) . . ?
N2 C16 H16 118.4 . . ?
C17 C16 H16 118.4 . . ?
C16 C17 C18 119.8(2) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
N3 C18 C17 122.5(2) . . ?
N3 C18 C19 121.7(2) . . ?
C17 C18 C19 115.8(2) . . ?
C20 C19 C18 120.0(2) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
N2 C20 C19 124.1(2) . . ?
N2 C20 H20 118.0 . . ?
C19 C20 H20 118.0 . . ?
N3 C21 H21A 109.5 . . ?
N3 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
N3 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N3 C22 H22A 109.5 . . ?
N3 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N3 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C15 Si1 N1 C1 129.1(2) . . . . ?
C13 Si1 N1 C1 8.6(2) . . . . ?
C14 Si1 N1 C1 -111.0(2) . . . . ?
Ge1A Si1 N1 C1 153.8(3) . . . . ?
C15 Si1 N1 Ge1 -47.4(2) . . . . ?
C13 Si1 N1 Ge1 -168.01(17) . . . . ?
C14 Si1 N1 Ge1 72.43(19) . . . . ?
C15 Si1 N1 Ge1A -24.7(2) . . . . ?
C13 Si1 N1 Ge1A -145.28(19) . . . . ?
C14 Si1 N1 Ge1A 95.16(19) . . . . ?
Si1 N1 C1 C6 84.9(3) . . . . ?
Ge1 N1 C1 C6 -97.7(2) . . . . ?
Ge1A N1 C1 C6 -132.8(3) . . . . ?
Si1 N1 C1 C2 -99.5(2) . . . . ?
Ge1 N1 C1 C2 77.9(2) . . . . ?
Ge1A N1 C1 C2 42.8(4) . . . . ?
C6 C1 C2 C3 2.0(4) . . . . ?
N1 C1 C2 C3 -173.7(2) . . . . ?
C6 C1 C2 C7 -177.2(2) . . . . ?
N1 C1 C2 C7 7.2(4) . . . . ?
C1 C2 C3 C4 -1.4(4) . . . . ?
C7 C2 C3 C4 177.8(2) . . . . ?
C2 C3 C4 C5 -0.3(4) . . . . ?
C3 C4 C5 C6 1.4(4) . . . . ?
C4 C5 C6 C1 -0.7(4) . . . . ?
C4 C5 C6 C10 178.5(2) . . . . ?
C2 C1 C6 C5 -1.0(4) . . . . ?
N1 C1 C6 C5 174.6(2) . . . . ?
C2 C1 C6 C10 179.9(2) . . . . ?
N1 C1 C6 C10 -4.6(4) . . . . ?
C3 C2 C7 C8 -59.5(3) . . . . ?
C1 C2 C7 C8 119.7(3) . . . . ?
C3 C2 C7 C9 64.5(3) . . . . ?
C1 C2 C7 C9 -116.4(3) . . . . ?
C5 C6 C10 C12 -60.4(3) . . . . ?
C1 C6 C10 C12 118.8(3) . . . . ?
C5 C6 C10 C11 63.1(3) . . . . ?
C1 C6 C10 C11 -117.8(3) . . . . ?
C20 N2 C16 C17 -1.2(4) . . . . ?
Ge1 N2 C16 C17 165.2(2) . . . . ?
Ge1A N2 C16 C17 -173.9(3) . . . . ?
N2 C16 C17 C18 -1.1(4) . . . . ?
C21 N3 C18 C17 -1.8(4) . . . . ?
C22 N3 C18 C17 -176.6(2) . . . . ?
C21 N3 C18 C19 179.2(2) . . . . ?
C22 N3 C18 C19 4.4(4) . . . . ?
C16 C17 C18 N3 -176.0(3) . . . . ?
C16 C17 C18 C19 3.1(4) . . . . ?
N3 C18 C19 C20 176.2(2) . . . . ?
C17 C18 C19 C20 -2.9(4) . . . . ?
C16 N2 C20 C19 1.4(4) . . . . ?
Ge1 N2 C20 C19 -167.2(2) . . . . ?
Ge1A N2 C20 C19 169.3(3) . . . . ?
C18 C19 C20 N2 0.7(4) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C16 H16 Cl1 0.95 2.70 3.268(3) 119.0 .

_refine_diff_density_max         0.341
_refine_diff_density_min         -0.194
_refine_diff_density_rms         0.047

####################################################################### 
# 
# 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_fl190215sq
_database_code_depnum_ccdc_archive 'CCDC 2007010'
loop_
_audit_author_name
_audit_author_address
'Felicitas Lips'
;Westfaelische Wilhelms Universitaet Muenster
Germany
;
_audit_update_record             
;
2020-06-01 deposited with the CCDC.	2020-07-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C60 H104 Ge6 N4 Si4'
_chemical_formula_weight         1429.37

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'

_space_group_crystal_system      tetragonal
_space_group_IT_number           114
_space_group_name_H-M_alt        'P -4 21 c'
_space_group_name_Hall           'P -4 2n'

_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'
'y, -x, -z'
'-y, x, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, z'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+1/2, z+1/2'

_cell_length_a                   16.4377(7)
_cell_length_b                   16.4377(7)
_cell_length_c                   27.2437(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7361.2(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9820
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      27.09

_exptl_crystal_description       rod
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.290
_exptl_crystal_F_000             2960
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.176
_exptl_crystal_size_mid          0.099
_exptl_crystal_size_min          0.096
_exptl_absorpt_coefficient_mu    2.519
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5541
_exptl_absorpt_correction_T_max  0.7113
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            82973
_diffrn_reflns_av_unetI/netI     0.0273
_diffrn_reflns_av_R_equivalents  0.0466
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         2.303
_diffrn_reflns_theta_max         27.111
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             8118
_reflns_number_gt                7544
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.832
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0352P)²+10.7659P] 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_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.053(14)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         8118
_refine_ls_number_parameters     336
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0377
_refine_ls_wR_factor_ref         0.0906
_refine_ls_wR_factor_gt          0.0874
_refine_ls_goodness_of_fit_ref   1.193
_refine_ls_restrained_S_all      1.193
_refine_ls_shift/su_max          0.000
_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 0.07431(3) 0.59902(3) 0.65307(2) 0.02145(12) Uani 1 1 d . . . . .
Ge2 Ge 0.05759(3) 0.44031(4) 0.68740(2) 0.02346(12) Uani 1 1 d . . . . .
Ge3 Ge 0.07550(3) 0.48043(3) 0.59709(2) 0.02010(12) Uani 1 1 d . . . . .
Si4 Si 0.23242(10) 0.70459(10) 0.67668(6) 0.0283(3) Uani 1 1 d . . . . .
Si5 Si 0.19285(9) 0.49672(9) 0.50441(5) 0.0227(3) Uani 1 1 d . . . . .
N1 N 0.1401(3) 0.6605(3) 0.69459(16) 0.0222(9) Uani 1 1 d . . . . .
N2 N 0.1524(3) 0.4406(3) 0.55328(15) 0.0231(9) Uani 1 1 d . . . . .
C1 C 0.0999(3) 0.6816(3) 0.74005(19) 0.0241(11) Uani 1 1 d . . . . .
C2 C 0.0477(3) 0.7489(4) 0.7422(2) 0.0301(12) Uani 1 1 d . . . . .
C3 C 0.0074(4) 0.7658(4) 0.7853(2) 0.0392(15) Uani 1 1 d . . . . .
H3 H -0.0277 0.8117 0.7867 0.047 Uiso 1 1 calc R U . . .
C4 C 0.0168(4) 0.7176(5) 0.8267(2) 0.0462(18) Uani 1 1 d . . . . .
H4 H -0.0110 0.7304 0.8563 0.055 Uiso 1 1 calc R U . . .
C5 C 0.0675(4) 0.6508(4) 0.8240(2) 0.0395(15) Uani 1 1 d . . . . .
H5 H 0.0735 0.6172 0.8522 0.047 Uiso 1 1 calc R U . . .
C6 C 0.1101(4) 0.6308(4) 0.7814(2) 0.0289(12) Uani 1 1 d . . . . .
C7 C 0.0337(4) 0.8048(4) 0.6980(2) 0.0373(14) Uani 1 1 d . . . . .
H7 H 0.0685 0.7849 0.6704 0.045 Uiso 1 1 calc R U . . .
C8 C -0.0546(4) 0.8026(5) 0.6809(3) 0.0513(18) Uani 1 1 d . . . . .
H8A H -0.0614 0.8390 0.6527 0.077 Uiso 1 1 calc R U . . .
H8B H -0.0690 0.7470 0.6713 0.077 Uiso 1 1 calc R U . . .
H8C H -0.0902 0.8204 0.7076 0.077 Uiso 1 1 calc R U . . .
C9 C 0.0588(6) 0.8929(4) 0.7095(4) 0.070(3) Uani 1 1 d . . . . .
H9A H 0.1155 0.8939 0.7205 0.105 Uiso 1 1 calc R U . . .
H9B H 0.0531 0.9262 0.6799 0.105 Uiso 1 1 calc R U . . .
H9C H 0.0237 0.9147 0.7355 0.105 Uiso 1 1 calc R U . . .
C10 C 0.1653(4) 0.5573(4) 0.7817(2) 0.0350(13) Uani 1 1 d . . . . .
H10 H 0.1719 0.5392 0.7469 0.042 Uiso 1 1 calc R U . . .
C11 C 0.1307(6) 0.4850(4) 0.8107(3) 0.056(2) Uani 1 1 d . . . . .
H11A H 0.1693 0.4396 0.8094 0.084 Uiso 1 1 calc R U . . .
H11B H 0.1221 0.5012 0.8449 0.084 Uiso 1 1 calc R U . . .
H11C H 0.0788 0.4682 0.7961 0.084 Uiso 1 1 calc R U . . .
C12 C 0.2501(5) 0.5781(5) 0.8014(3) 0.054(2) Uani 1 1 d . . . . .
H12A H 0.2841 0.5291 0.8010 0.081 Uiso 1 1 calc R U . . .
H12B H 0.2749 0.6199 0.7806 0.081 Uiso 1 1 calc R U . . .
H12C H 0.2455 0.5985 0.8350 0.081 Uiso 1 1 calc R U . . .
C13 C 0.2689(4) 0.7735(4) 0.7265(3) 0.0428(16) Uani 1 1 d . . . . .
H13A H 0.3206 0.7984 0.7167 0.064 Uiso 1 1 calc R U . . .
H13B H 0.2284 0.8162 0.7323 0.064 Uiso 1 1 calc R U . . .
H13C H 0.2768 0.7421 0.7567 0.064 Uiso 1 1 calc R U . . .
C14 C 0.2190(5) 0.7654(4) 0.6193(3) 0.0456(17) Uani 1 1 d . . . . .
H14A H 0.2712 0.7895 0.6098 0.068 Uiso 1 1 calc R U . . .
H14B H 0.1997 0.7298 0.5929 0.068 Uiso 1 1 calc R U . . .
H14C H 0.1792 0.8087 0.6250 0.068 Uiso 1 1 calc R U . . .
C15 C 0.3075(4) 0.6231(4) 0.6645(2) 0.0359(14) Uani 1 1 d . . . . .
H15A H 0.3593 0.6474 0.6544 0.054 Uiso 1 1 calc R U . . .
H15B H 0.3157 0.5909 0.6944 0.054 Uiso 1 1 calc R U . . .
H15C H 0.2872 0.5877 0.6382 0.054 Uiso 1 1 calc R U . . .
C16 C 0.1762(3) 0.3572(3) 0.5611(2) 0.0251(11) Uani 1 1 d . . . . .
C17 C 0.2472(3) 0.3390(3) 0.5881(2) 0.0273(11) Uani 1 1 d . . . . .
C18 C 0.2707(4) 0.2578(4) 0.5927(2) 0.0346(13) Uani 1 1 d . . . . .
H18 H 0.3177 0.2446 0.6113 0.042 Uiso 1 1 calc R U . . .
C19 C 0.2265(4) 0.1962(4) 0.5705(3) 0.0402(15) Uani 1 1 d . . . . .
H19 H 0.2443 0.1414 0.5731 0.048 Uiso 1 1 calc R U . . .
C20 C 0.1571(4) 0.2143(4) 0.5447(2) 0.0359(13) Uani 1 1 d . . . . .
H20 H 0.1272 0.1715 0.5299 0.043 Uiso 1 1 calc R U . . .
C21 C 0.1298(4) 0.2935(3) 0.5399(2) 0.0299(12) Uani 1 1 d . . . . .
C22 C 0.2963(4) 0.4041(4) 0.6138(2) 0.0298(12) Uani 1 1 d . . . . .
H22 H 0.2698 0.4577 0.6070 0.036 Uiso 1 1 calc R U . . .
C23 C 0.3836(4) 0.4083(5) 0.5949(3) 0.0448(16) Uani 1 1 d . . . . .
H23A H 0.4130 0.4511 0.6125 0.067 Uiso 1 1 calc R U . . .
H23B H 0.4105 0.3559 0.6004 0.067 Uiso 1 1 calc R U . . .
H23C H 0.3832 0.4206 0.5597 0.067 Uiso 1 1 calc R U . . .
C24 C 0.2963(4) 0.3909(4) 0.6695(2) 0.0387(15) Uani 1 1 d . . . . .
H24A H 0.3285 0.4338 0.6852 0.058 Uiso 1 1 calc R U . . .
H24B H 0.2403 0.3928 0.6818 0.058 Uiso 1 1 calc R U . . .
H24C H 0.3202 0.3378 0.6770 0.058 Uiso 1 1 calc R U . . .
C25 C 0.0506(3) 0.3104(4) 0.5130(2) 0.0311(12) Uani 1 1 d . . . . .
H25 H 0.0389 0.3698 0.5162 0.037 Uiso 1 1 calc R U . . .
C26 C 0.0569(4) 0.2909(4) 0.4581(2) 0.0414(15) Uani 1 1 d . . . . .
H26A H 0.0047 0.3026 0.4422 0.062 Uiso 1 1 calc R U . . .
H26B H 0.0996 0.3244 0.4433 0.062 Uiso 1 1 calc R U . . .
H26C H 0.0703 0.2333 0.4539 0.062 Uiso 1 1 calc R U . . .
C27 C -0.0205(4) 0.2643(4) 0.5355(3) 0.0432(15) Uani 1 1 d . . . . .
H27A H -0.0704 0.2767 0.5172 0.065 Uiso 1 1 calc R U . . .
H27B H -0.0098 0.2057 0.5340 0.065 Uiso 1 1 calc R U . . .
H27C H -0.0273 0.2808 0.5698 0.065 Uiso 1 1 calc R U . . .
C28 C 0.2621(4) 0.4302(4) 0.4678(2) 0.0377(14) Uani 1 1 d . . . . .
H28A H 0.2849 0.4614 0.4404 0.057 Uiso 1 1 calc R U . . .
H28B H 0.3064 0.4105 0.4888 0.057 Uiso 1 1 calc R U . . .
H28C H 0.2315 0.3837 0.4550 0.057 Uiso 1 1 calc R U . . .
C29 C 0.2505(4) 0.5864(4) 0.5272(2) 0.0372(14) Uani 1 1 d . . . . .
H29A H 0.2725 0.6168 0.4992 0.056 Uiso 1 1 calc R U . . .
H29B H 0.2141 0.6217 0.5461 0.056 Uiso 1 1 calc R U . . .
H29C H 0.2953 0.5681 0.5482 0.056 Uiso 1 1 calc R U . . .
C30 C 0.1095(4) 0.5356(4) 0.4643(2) 0.0342(13) Uani 1 1 d . . . . .
H30A H 0.1330 0.5669 0.4371 0.051 Uiso 1 1 calc R U . . .
H30B H 0.0784 0.4897 0.4511 0.051 Uiso 1 1 calc R U . . .
H30C H 0.0734 0.5708 0.4835 0.051 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge1 N1 1.863(4) . ?
Ge1 Ge2 2.4481(7) 6_565 ?
Ge1 Ge3 2.4751(7) . ?
Ge1 Ge2 2.7852(8) . ?
Ge2 Ge1 2.4481(7) 6_565 ?
Ge2 Ge3 2.5642(7) . ?
Ge2 Ge2 2.7268(11) 6_565 ?
Ge3 N2 1.857(4) . ?
Ge3 Ge3 2.5639(11) 6_565 ?
Si4 N1 1.751(5) . ?
Si4 C15 1.852(6) . ?
Si4 C13 1.867(7) . ?
Si4 C14 1.869(8) . ?
Si5 N2 1.751(4) . ?
Si5 C29 1.859(6) . ?
Si5 C30 1.866(6) . ?
Si5 C28 1.868(6) . ?
N1 C1 1.446(6) . ?
N2 C16 1.441(7) . ?
C1 C2 1.401(8) . ?
C1 C6 1.412(8) . ?
C2 C3 1.378(8) . ?
C2 C7 1.532(9) . ?
C3 C4 1.387(10) . ?
C3 H3 0.9500 . ?
C4 C5 1.381(11) . ?
C4 H4 0.9500 . ?
C5 C6 1.396(8) . ?
C5 H5 0.9500 . ?
C6 C10 1.511(9) . ?
C7 C8 1.525(9) . ?
C7 C9 1.538(10) . ?
C7 H7 1.0000 . ?
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 C12 1.532(9) . ?
C10 C11 1.534(9) . ?
C10 H10 1.0000 . ?
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 C17 1.411(8) . ?
C16 C21 1.419(8) . ?
C17 C18 1.395(8) . ?
C17 C22 1.512(8) . ?
C18 C19 1.385(10) . ?
C18 H18 0.9500 . ?
C19 C20 1.372(10) . ?
C19 H19 0.9500 . ?
C20 C21 1.382(8) . ?
C20 H20 0.9500 . ?
C21 C25 1.520(8) . ?
C22 C23 1.526(8) . ?
C22 C24 1.533(8) . ?
C22 H22 1.0000 . ?
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 C27 1.523(9) . ?
C25 C26 1.532(8) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?

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
N1 Ge1 Ge2 115.16(14) . 6_565 ?
N1 Ge1 Ge3 142.85(14) . . ?
Ge2 Ge1 Ge3 91.97(2) 6_565 . ?
N1 Ge1 Ge2 111.21(14) . . ?
Ge2 Ge1 Ge2 62.41(3) 6_565 . ?
Ge3 Ge1 Ge2 57.99(2) . . ?
Ge1 Ge2 Ge3 78.64(2) 6_565 . ?
Ge1 Ge2 Ge2 64.86(2) 6_565 6_565 ?
Ge3 Ge2 Ge2 83.947(18) . 6_565 ?
Ge1 Ge2 Ge1 101.92(3) 6_565 . ?
Ge3 Ge2 Ge1 54.935(19) . . ?
Ge2 Ge2 Ge1 52.72(2) 6_565 . ?
N2 Ge3 Ge1 132.75(14) . . ?
N2 Ge3 Ge3 138.34(14) . 6_565 ?
Ge1 Ge3 Ge3 78.16(2) . 6_565 ?
N2 Ge3 Ge2 127.15(14) . . ?
Ge1 Ge3 Ge2 67.08(2) . . ?
Ge3 Ge3 Ge2 87.332(19) 6_565 . ?
N1 Si4 C15 109.2(3) . . ?
N1 Si4 C13 109.1(3) . . ?
C15 Si4 C13 110.8(3) . . ?
N1 Si4 C14 110.6(3) . . ?
C15 Si4 C14 108.4(3) . . ?
C13 Si4 C14 108.8(4) . . ?
N2 Si5 C29 111.0(3) . . ?
N2 Si5 C30 110.3(2) . . ?
C29 Si5 C30 107.3(3) . . ?
N2 Si5 C28 109.2(3) . . ?
C29 Si5 C28 109.4(3) . . ?
C30 Si5 C28 109.6(3) . . ?
C1 N1 Si4 122.4(4) . . ?
C1 N1 Ge1 112.6(3) . . ?
Si4 N1 Ge1 123.9(2) . . ?
C16 N2 Si5 120.7(3) . . ?
C16 N2 Ge3 115.2(3) . . ?
Si5 N2 Ge3 124.1(3) . . ?
C2 C1 C6 120.5(5) . . ?
C2 C1 N1 120.3(5) . . ?
C6 C1 N1 119.2(5) . . ?
C3 C2 C1 119.3(6) . . ?
C3 C2 C7 118.4(6) . . ?
C1 C2 C7 122.3(5) . . ?
C2 C3 C4 121.6(6) . . ?
C2 C3 H3 119.2 . . ?
C4 C3 H3 119.2 . . ?
C5 C4 C3 118.6(6) . . ?
C5 C4 H4 120.7 . . ?
C3 C4 H4 120.7 . . ?
C4 C5 C6 122.3(6) . . ?
C4 C5 H5 118.9 . . ?
C6 C5 H5 118.9 . . ?
C5 C6 C1 117.7(6) . . ?
C5 C6 C10 119.0(6) . . ?
C1 C6 C10 123.3(5) . . ?
C8 C7 C2 111.7(6) . . ?
C8 C7 C9 109.9(6) . . ?
C2 C7 C9 111.4(6) . . ?
C8 C7 H7 107.9 . . ?
C2 C7 H7 107.9 . . ?
C9 C7 H7 107.9 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 C12 111.7(5) . . ?
C6 C10 C11 113.6(6) . . ?
C12 C10 C11 109.3(6) . . ?
C6 C10 H10 107.3 . . ?
C12 C10 H10 107.3 . . ?
C11 C10 H10 107.3 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si4 C13 H13A 109.5 . . ?
Si4 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si4 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si4 C14 H14A 109.5 . . ?
Si4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si4 C15 H15A 109.5 . . ?
Si4 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si4 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C21 119.9(5) . . ?
C17 C16 N2 120.3(5) . . ?
C21 C16 N2 119.8(5) . . ?
C18 C17 C16 118.7(6) . . ?
C18 C17 C22 119.1(5) . . ?
C16 C17 C22 122.1(5) . . ?
C19 C18 C17 120.9(6) . . ?
C19 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
C20 C19 C18 120.0(6) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C20 C21 121.5(6) . . ?
C19 C20 H20 119.2 . . ?
C21 C20 H20 119.2 . . ?
C20 C21 C16 118.8(6) . . ?
C20 C21 C25 119.7(6) . . ?
C16 C21 C25 121.4(5) . . ?
C17 C22 C23 112.3(5) . . ?
C17 C22 C24 111.1(5) . . ?
C23 C22 C24 109.8(5) . . ?
C17 C22 H22 107.9 . . ?
C23 C22 H22 107.9 . . ?
C24 C22 H22 107.9 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C21 C25 C27 111.9(5) . . ?
C21 C25 C26 112.0(5) . . ?
C27 C25 C26 109.9(5) . . ?
C21 C25 H25 107.6 . . ?
C27 C25 H25 107.6 . . ?
C26 C25 H25 107.6 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si5 C28 H28A 109.5 . . ?
Si5 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si5 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si5 C29 H29A 109.5 . . ?
Si5 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si5 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si5 C30 H30A 109.5 . . ?
Si5 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si5 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C15 Si4 N1 C1 124.8(4) . . . . ?
C13 Si4 N1 C1 3.6(5) . . . . ?
C14 Si4 N1 C1 -116.0(5) . . . . ?
C15 Si4 N1 Ge1 -67.6(4) . . . . ?
C13 Si4 N1 Ge1 171.1(3) . . . . ?
C14 Si4 N1 Ge1 51.6(4) . . . . ?
Ge2 Ge1 N1 C1 -4.8(4) 6_565 . . . ?
Ge3 Ge1 N1 C1 -137.8(3) . . . . ?
Ge2 Ge1 N1 C1 -73.3(4) . . . . ?
Ge2 Ge1 N1 Si4 -173.4(2) 6_565 . . . ?
Ge3 Ge1 N1 Si4 53.6(4) . . . . ?
Ge2 Ge1 N1 Si4 118.1(3) . . . . ?
C29 Si5 N2 C16 -118.6(4) . . . . ?
C30 Si5 N2 C16 122.6(4) . . . . ?
C28 Si5 N2 C16 2.1(5) . . . . ?
C29 Si5 N2 Ge3 63.2(4) . . . . ?
C30 Si5 N2 Ge3 -55.6(4) . . . . ?
C28 Si5 N2 Ge3 -176.1(3) . . . . ?
Ge1 Ge3 N2 C16 124.0(3) . . . . ?
Ge3 Ge3 N2 C16 -107.8(4) 6_565 . . . ?
Ge2 Ge3 N2 C16 32.0(4) . . . . ?
Ge1 Ge3 N2 Si5 -57.7(3) . . . . ?
Ge3 Ge3 N2 Si5 70.5(4) 6_565 . . . ?
Ge2 Ge3 N2 Si5 -149.73(19) . . . . ?
Si4 N1 C1 C2 85.7(6) . . . . ?
Ge1 N1 C1 C2 -83.1(5) . . . . ?
Si4 N1 C1 C6 -98.0(5) . . . . ?
Ge1 N1 C1 C6 93.2(5) . . . . ?
C6 C1 C2 C3 1.0(8) . . . . ?
N1 C1 C2 C3 177.3(5) . . . . ?
C6 C1 C2 C7 -179.0(5) . . . . ?
N1 C1 C2 C7 -2.7(8) . . . . ?
C1 C2 C3 C4 -0.3(9) . . . . ?
C7 C2 C3 C4 179.7(6) . . . . ?
C2 C3 C4 C5 -0.6(10) . . . . ?
C3 C4 C5 C6 0.9(10) . . . . ?
C4 C5 C6 C1 -0.2(9) . . . . ?
C4 C5 C6 C10 179.1(6) . . . . ?
C2 C1 C6 C5 -0.7(8) . . . . ?
N1 C1 C6 C5 -177.1(5) . . . . ?
C2 C1 C6 C10 180.0(5) . . . . ?
N1 C1 C6 C10 3.6(8) . . . . ?
C3 C2 C7 C8 -63.3(8) . . . . ?
C1 C2 C7 C8 116.7(6) . . . . ?
C3 C2 C7 C9 60.1(8) . . . . ?
C1 C2 C7 C9 -119.9(7) . . . . ?
C5 C6 C10 C12 -85.4(7) . . . . ?
C1 C6 C10 C12 93.9(7) . . . . ?
C5 C6 C10 C11 38.7(7) . . . . ?
C1 C6 C10 C11 -142.0(6) . . . . ?
Si5 N2 C16 C17 85.2(6) . . . . ?
Ge3 N2 C16 C17 -96.5(5) . . . . ?
Si5 N2 C16 C21 -92.4(6) . . . . ?
Ge3 N2 C16 C21 86.0(5) . . . . ?
C21 C16 C17 C18 0.9(8) . . . . ?
N2 C16 C17 C18 -176.6(5) . . . . ?
C21 C16 C17 C22 -176.6(5) . . . . ?
N2 C16 C17 C22 5.9(8) . . . . ?
C16 C17 C18 C19 1.3(9) . . . . ?
C22 C17 C18 C19 178.8(6) . . . . ?
C17 C18 C19 C20 -2.0(10) . . . . ?
C18 C19 C20 C21 0.5(10) . . . . ?
C19 C20 C21 C16 1.7(9) . . . . ?
C19 C20 C21 C25 -177.2(6) . . . . ?
C17 C16 C21 C20 -2.4(8) . . . . ?
N2 C16 C21 C20 175.2(5) . . . . ?
C17 C16 C21 C25 176.6(5) . . . . ?
N2 C16 C21 C25 -5.9(8) . . . . ?
C18 C17 C22 C23 62.6(7) . . . . ?
C16 C17 C22 C23 -119.9(6) . . . . ?
C18 C17 C22 C24 -60.7(7) . . . . ?
C16 C17 C22 C24 116.7(6) . . . . ?
C20 C21 C25 C27 56.7(7) . . . . ?
C16 C21 C25 C27 -122.2(6) . . . . ?
C20 C21 C25 C26 -67.2(7) . . . . ?
C16 C21 C25 C26 113.8(6) . . . . ?

_refine_diff_density_max         0.860
_refine_diff_density_min         -0.732
_refine_diff_density_rms         0.089



####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2007012'
loop_
_audit_author_name
_audit_author_address
'Felicitas Lips'
;Westfaelische Wilhelms Universitaet Muenster
Germany
;
_audit_update_record             
;
2020-06-01 deposited with the CCDC.	2020-07-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C58 H72 Ge2 N2 Si2'
_chemical_formula_weight         998.53

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   18.8048(7)
_cell_length_b                   13.8910(5)
_cell_length_c                   21.7286(8)
_cell_angle_alpha                90
_cell_angle_beta                 109.945(2)
_cell_angle_gamma                90
_cell_volume                     5335.5(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9942
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      27.11

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.243
_exptl_crystal_F_000             2104
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.672
_exptl_crystal_size_mid          0.460
_exptl_crystal_size_min          0.310
_exptl_absorpt_coefficient_mu    1.209
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6112
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            75087
_diffrn_reflns_av_unetI/netI     0.0252
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.762
_diffrn_reflns_theta_max         27.127
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             11771
_reflns_number_gt                10782
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0281P)²+3.3342P] 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         11771
_refine_ls_number_parameters     585
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0287
_refine_ls_R_factor_gt           0.0256
_refine_ls_wR_factor_ref         0.0671
_refine_ls_wR_factor_gt          0.0655
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.000
_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 0.22790(2) 0.22195(2) 0.45861(2) 0.01154(4) Uani 1 1 d . . . . .
Ge2 Ge 0.26400(2) 0.35069(2) 0.53656(2) 0.01223(4) Uani 1 1 d . . . . .
Si1 Si 0.09527(2) 0.07798(3) 0.43291(2) 0.01720(8) Uani 1 1 d . . . . .
Si2 Si 0.31454(2) 0.33360(3) 0.68785(2) 0.02139(9) Uani 1 1 d . . . . .
N1 N 0.18751(6) 0.10119(8) 0.43464(6) 0.0135(2) Uani 1 1 d . . . . .
N2 N 0.26994(7) 0.40072(9) 0.61653(6) 0.0163(2) Uani 1 1 d . . . . .
C1 C 0.33743(8) 0.24325(10) 0.47298(7) 0.0140(3) Uani 1 1 d . . . . .
C2 C 0.35908(8) 0.31406(10) 0.51803(7) 0.0140(3) Uani 1 1 d . . . . .
C3 C 0.17809(8) 0.34055(10) 0.40914(7) 0.0138(3) Uani 1 1 d . . . . .
C4 C 0.19920(8) 0.41347(10) 0.45291(7) 0.0141(3) Uani 1 1 d . . . . .
C5 C 0.38038(8) 0.20798(10) 0.43153(7) 0.0147(3) Uani 1 1 d . . . . .
C6 C 0.38694(9) 0.26626(11) 0.38140(8) 0.0194(3) Uani 1 1 d . . . . .
H6 H 0.3638 0.3280 0.3742 0.023 Uiso 1 1 calc R U . . .
C7 C 0.42693(10) 0.23502(12) 0.34190(8) 0.0250(3) Uani 1 1 d . . . . .
H7 H 0.4309 0.2753 0.3079 0.030 Uiso 1 1 calc R U . . .
C8 C 0.46096(10) 0.14524(12) 0.35206(9) 0.0275(4) Uani 1 1 d . . . . .
H8 H 0.4888 0.1241 0.3254 0.033 Uiso 1 1 calc R U . . .
C9 C 0.45420(9) 0.08639(12) 0.40122(9) 0.0252(3) Uani 1 1 d . . . . .
H9 H 0.4773 0.0247 0.4081 0.030 Uiso 1 1 calc R U . . .
C10 C 0.41384(8) 0.11705(11) 0.44043(8) 0.0197(3) Uani 1 1 d . . . . .
H10 H 0.4089 0.0758 0.4736 0.024 Uiso 1 1 calc R U . . .
C11 C 0.43272(8) 0.36365(10) 0.54153(7) 0.0150(3) Uani 1 1 d . . . . .
C12 C 0.43526(8) 0.46105(11) 0.55805(7) 0.0189(3) Uani 1 1 d . . . . .
H12 H 0.3894 0.4942 0.5530 0.023 Uiso 1 1 calc R U . . .
C13 C 0.50323(9) 0.51021(11) 0.58158(8) 0.0231(3) Uani 1 1 d . . . . .
H13 H 0.5037 0.5765 0.5925 0.028 Uiso 1 1 calc R U . . .
C14 C 0.57039(9) 0.46290(12) 0.58926(8) 0.0225(3) Uani 1 1 d . . . . .
H14 H 0.6171 0.4965 0.6053 0.027 Uiso 1 1 calc R U . . .
C15 C 0.56906(9) 0.36615(11) 0.57342(8) 0.0226(3) Uani 1 1 d . . . . .
H15 H 0.6151 0.3334 0.5788 0.027 Uiso 1 1 calc R U . . .
C16 C 0.50096(8) 0.31668(11) 0.54976(8) 0.0196(3) Uani 1 1 d . . . . .
H16 H 0.5008 0.2503 0.5391 0.023 Uiso 1 1 calc R U . . .
C17 C 0.13640(8) 0.34897(10) 0.33841(7) 0.0156(3) Uani 1 1 d . . . . .
C18 C 0.15560(9) 0.28995(11) 0.29445(7) 0.0204(3) Uani 1 1 d . . . . .
H18 H 0.1963 0.2458 0.3104 0.024 Uiso 1 1 calc R U . . .
C19 C 0.11590(10) 0.29506(12) 0.22770(8) 0.0259(3) Uani 1 1 d . . . . .
H19 H 0.1297 0.2546 0.1983 0.031 Uiso 1 1 calc R U . . .
C20 C 0.05640(10) 0.35884(13) 0.20391(8) 0.0286(4) Uani 1 1 d . . . . .
H20 H 0.0295 0.3627 0.1582 0.034 Uiso 1 1 calc R U . . .
C21 C 0.03618(9) 0.41699(12) 0.24694(8) 0.0271(4) Uani 1 1 d . . . . .
H21 H -0.0051 0.4604 0.2307 0.033 Uiso 1 1 calc R U . . .
C22 C 0.07570(9) 0.41232(11) 0.31362(8) 0.0213(3) Uani 1 1 d . . . . .
H22 H 0.0614 0.4526 0.3427 0.026 Uiso 1 1 calc R U . . .
C23 C 0.19053(8) 0.51744(10) 0.43675(7) 0.0149(3) Uani 1 1 d . . . . .
C24 C 0.15348(8) 0.57958(11) 0.46623(7) 0.0186(3) Uani 1 1 d . . . . .
H24 H 0.1329 0.5551 0.4974 0.022 Uiso 1 1 calc R U . . .
C25 C 0.14628(9) 0.67682(11) 0.45050(8) 0.0224(3) Uani 1 1 d . . . . .
H25 H 0.1202 0.7181 0.4705 0.027 Uiso 1 1 calc R U . . .
C26 C 0.17675(9) 0.71400(11) 0.40592(9) 0.0246(3) Uani 1 1 d . . . . .
H26 H 0.1726 0.7808 0.3959 0.029 Uiso 1 1 calc R U . . .
C27 C 0.21353(9) 0.65297(11) 0.37594(8) 0.0239(3) Uani 1 1 d . . . . .
H27 H 0.2344 0.6780 0.3451 0.029 Uiso 1 1 calc R U . . .
C28 C 0.21997(8) 0.55566(11) 0.39087(7) 0.0187(3) Uani 1 1 d . . . . .
H28 H 0.2447 0.5144 0.3697 0.022 Uiso 1 1 calc R U . . .
C29 C 0.23965(8) 0.02337(10) 0.43729(7) 0.0142(3) Uani 1 1 d . . . . .
C30 C 0.28510(8) -0.01583(10) 0.49763(7) 0.0166(3) Uani 1 1 d . . . . .
C31 C 0.33532(9) -0.09020(11) 0.49808(8) 0.0214(3) Uani 1 1 d . . . . .
H31 H 0.3658 -0.1173 0.5386 0.026 Uiso 1 1 calc R U . . .
C32 C 0.34137(9) -0.12486(11) 0.44047(9) 0.0248(3) Uani 1 1 d . . . . .
H32 H 0.3766 -0.1745 0.4415 0.030 Uiso 1 1 calc R U . . .
C33 C 0.29612(9) -0.08715(11) 0.38147(8) 0.0227(3) Uani 1 1 d . . . . .
H33 H 0.3003 -0.1117 0.3420 0.027 Uiso 1 1 calc R U . . .
C34 C 0.24439(8) -0.01377(10) 0.37826(7) 0.0171(3) Uani 1 1 d . . . . .
C35 C 0.28320(9) 0.01979(11) 0.56313(7) 0.0202(3) Uani 1 1 d . . . . .
H35 H 0.2468 0.0747 0.5547 0.024 Uiso 1 1 calc R U . . .
C36 C 0.36125(10) 0.05657(13) 0.60625(8) 0.0293(4) Uani 1 1 d . . . . .
H36A H 0.3982 0.0042 0.6142 0.044 Uiso 1 1 calc R U . . .
H36B H 0.3586 0.0794 0.6481 0.044 Uiso 1 1 calc R U . . .
H36C H 0.3768 0.1097 0.5840 0.044 Uiso 1 1 calc R U . . .
C37 C 0.25581(12) -0.05897(14) 0.59887(9) 0.0349(4) Uani 1 1 d . . . . .
H37A H 0.2079 -0.0855 0.5696 0.052 Uiso 1 1 calc R U . . .
H37B H 0.2482 -0.0316 0.6377 0.052 Uiso 1 1 calc R U . . .
H37C H 0.2937 -0.1103 0.6122 0.052 Uiso 1 1 calc R U . . .
C38 C 0.19733(9) 0.02365(11) 0.31129(7) 0.0209(3) Uani 1 1 d . . . . .
H38 H 0.1613 0.0730 0.3169 0.025 Uiso 1 1 calc R U . . .
C39 C 0.15134(11) -0.05718(13) 0.26718(8) 0.0312(4) Uani 1 1 d . . . . .
H39A H 0.1858 -0.1020 0.2567 0.047 Uiso 1 1 calc R U . . .
H39B H 0.1165 -0.0293 0.2267 0.047 Uiso 1 1 calc R U . . .
H39C H 0.1224 -0.0918 0.2901 0.047 Uiso 1 1 calc R U . . .
C40 C 0.24764(10) 0.07136(12) 0.27716(8) 0.0268(3) Uani 1 1 d . . . . .
H40A H 0.2790 0.1210 0.3058 0.040 Uiso 1 1 calc R U . . .
H40B H 0.2157 0.1008 0.2360 0.040 Uiso 1 1 calc R U . . .
H40C H 0.2803 0.0226 0.2679 0.040 Uiso 1 1 calc R U . . .
C41 C 0.08654(10) 0.09264(14) 0.51560(9) 0.0293(4) Uani 1 1 d . . . . .
H41A H 0.0344 0.0791 0.5128 0.044 Uiso 1 1 calc R U . . .
H41B H 0.1209 0.0477 0.5464 0.044 Uiso 1 1 calc R U . . .
H41C H 0.0998 0.1588 0.5309 0.044 Uiso 1 1 calc R U . . .
C42 C 0.03008(9) 0.16599(14) 0.37738(10) 0.0325(4) Uani 1 1 d . . . . .
H42A H -0.0217 0.1536 0.3761 0.049 Uiso 1 1 calc R U . . .
H42B H 0.0450 0.2314 0.3935 0.049 Uiso 1 1 calc R U . . .
H42C H 0.0325 0.1594 0.3332 0.049 Uiso 1 1 calc R U . . .
C43 C 0.06827(11) -0.04694(13) 0.40419(11) 0.0376(5) Uani 1 1 d . . . . .
H43A H 0.0167 -0.0598 0.4032 0.056 Uiso 1 1 calc R U . . .
H43B H 0.0706 -0.0547 0.3601 0.056 Uiso 1 1 calc R U . . .
H43C H 0.1033 -0.0923 0.4341 0.056 Uiso 1 1 calc R U . . .
C44 C 0.21973(8) 0.47838(11) 0.61931(7) 0.0177(3) Uani 1 1 d . . . . .
C45 C 0.14308(9) 0.46004(11) 0.61064(7) 0.0202(3) Uani 1 1 d . . . . .
C46 C 0.09749(9) 0.53693(13) 0.61604(8) 0.0252(3) Uani 1 1 d . . . . .
H46 H 0.0459 0.5253 0.6106 0.030 Uiso 1 1 calc R U . . .
C47 C 0.12560(10) 0.62922(13) 0.62903(8) 0.0291(4) Uani 1 1 d . . . . .
H47 H 0.0937 0.6804 0.6325 0.035 Uiso 1 1 calc R U . . .
C48 C 0.20048(10) 0.64657(12) 0.63690(8) 0.0271(4) Uani 1 1 d . . . . .
H48 H 0.2196 0.7103 0.6455 0.033 Uiso 1 1 calc R U . . .
C49 C 0.24877(9) 0.57258(12) 0.63250(7) 0.0216(3) Uani 1 1 d . . . . .
C50 C 0.10691(9) 0.36144(12) 0.59469(8) 0.0225(3) Uani 1 1 d . . . . .
H50 H 0.1473 0.3145 0.5948 0.027 Uiso 1 1 calc R U . . .
C51 C 0.07251(11) 0.32812(15) 0.64576(9) 0.0340(4) Uani 1 1 d . . . . .
H51A H 0.1108 0.3324 0.6896 0.051 Uiso 1 1 calc R U . . .
H51B H 0.0554 0.2613 0.6368 0.051 Uiso 1 1 calc R U . . .
H51C H 0.0294 0.3694 0.6435 0.051 Uiso 1 1 calc R U . . .
C52 C 0.04663(9) 0.36047(13) 0.52634(8) 0.0263(3) Uani 1 1 d . . . . .
H52A H 0.0076 0.4084 0.5243 0.040 Uiso 1 1 calc R U . . .
H52B H 0.0235 0.2965 0.5173 0.040 Uiso 1 1 calc R U . . .
H52C H 0.0701 0.3759 0.4937 0.040 Uiso 1 1 calc R U . . .
C53 C 0.33014(9) 0.59831(12) 0.64033(8) 0.0248(3) Uani 1 1 d . . . . .
H53 H 0.3584 0.5370 0.6413 0.030 Uiso 1 1 calc R U . . .
C54 C 0.37006(11) 0.65289(15) 0.70411(10) 0.0402(5) Uani 1 1 d . . . . .
H54A H 0.3463 0.7161 0.7025 0.060 Uiso 1 1 calc R U . . .
H54B H 0.4236 0.6614 0.7095 0.060 Uiso 1 1 calc R U . . .
H54C H 0.3659 0.6161 0.7412 0.060 Uiso 1 1 calc R U . . .
C55 C 0.33312(10) 0.65807(12) 0.58206(9) 0.0295(4) Uani 1 1 d . . . . .
H55A H 0.3101 0.6216 0.5415 0.044 Uiso 1 1 calc R U . . .
H55B H 0.3859 0.6726 0.5875 0.044 Uiso 1 1 calc R U . . .
H55C H 0.3052 0.7183 0.5799 0.044 Uiso 1 1 calc R U . . .
C56 C 0.31165(12) 0.40400(15) 0.75969(8) 0.0378(5) Uani 1 1 d . . . . .
H56A H 0.3364 0.3673 0.7998 0.057 Uiso 1 1 calc R U . . .
H56B H 0.3382 0.4653 0.7616 0.057 Uiso 1 1 calc R U . . .
H56C H 0.2589 0.4165 0.7555 0.057 Uiso 1 1 calc R U . . .
C57 C 0.26512(10) 0.21661(13) 0.68683(9) 0.0303(4) Uani 1 1 d . . . . .
H57A H 0.2913 0.1809 0.7271 0.045 Uiso 1 1 calc R U . . .
H57B H 0.2128 0.2290 0.6839 0.045 Uiso 1 1 calc R U . . .
H57C H 0.2654 0.1786 0.6489 0.045 Uiso 1 1 calc R U . . .
C58 C 0.41348(9) 0.30905(14) 0.69328(8) 0.0284(4) Uani 1 1 d . . . . .
H58A H 0.4390 0.2716 0.7329 0.043 Uiso 1 1 calc R U . . .
H58B H 0.4135 0.2725 0.6547 0.043 Uiso 1 1 calc R U . . .
H58C H 0.4402 0.3701 0.6951 0.043 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge1 N1 1.8418(12) . ?
Ge1 C1 1.9971(14) . ?
Ge1 C3 2.0149(14) . ?
Ge1 Ge2 2.3966(2) . ?
Ge2 N2 1.8391(12) . ?
Ge2 C4 2.0094(14) . ?
Ge2 C2 2.0271(13) . ?
Si1 N1 1.7520(12) . ?
Si1 C43 1.8554(18) . ?
Si1 C42 1.8558(18) . ?
Si1 C41 1.8701(17) . ?
Si2 N2 1.7571(13) . ?
Si2 C58 1.8554(17) . ?
Si2 C56 1.8584(17) . ?
Si2 C57 1.8684(19) . ?
N1 C29 1.4473(17) . ?
N2 C44 1.4484(18) . ?
C1 C2 1.349(2) . ?
C1 C5 1.4832(19) . ?
C2 C11 1.4734(19) . ?
C3 C4 1.353(2) . ?
C3 C17 1.4726(19) . ?
C4 C23 1.4821(19) . ?
C5 C10 1.395(2) . ?
C5 C6 1.396(2) . ?
C6 C7 1.389(2) . ?
C6 H6 0.9500 . ?
C7 C8 1.385(2) . ?
C7 H7 0.9500 . ?
C8 C9 1.385(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.387(2) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C16 1.396(2) . ?
C11 C12 1.397(2) . ?
C12 C13 1.384(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.382(2) . ?
C13 H13 0.9500 . ?
C14 C15 1.385(2) . ?
C14 H14 0.9500 . ?
C15 C16 1.388(2) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C22 1.396(2) . ?
C17 C18 1.396(2) . ?
C18 C19 1.388(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.382(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.384(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.386(2) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.395(2) . ?
C23 C28 1.399(2) . ?
C24 C25 1.389(2) . ?
C24 H24 0.9500 . ?
C25 C26 1.383(2) . ?
C25 H25 0.9500 . ?
C26 C27 1.389(2) . ?
C26 H26 0.9500 . ?
C27 C28 1.386(2) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.408(2) . ?
C29 C34 1.413(2) . ?
C30 C31 1.397(2) . ?
C30 C35 1.519(2) . ?
C31 C32 1.381(2) . ?
C31 H31 0.9500 . ?
C32 C33 1.378(2) . ?
C32 H32 0.9500 . ?
C33 C34 1.394(2) . ?
C33 H33 0.9500 . ?
C34 C38 1.514(2) . ?
C35 C37 1.529(2) . ?
C35 C36 1.535(2) . ?
C35 H35 1.0000 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.537(2) . ?
C38 C40 1.537(2) . ?
C38 H38 1.0000 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C49 1.409(2) . ?
C44 C45 1.412(2) . ?
C45 C46 1.399(2) . ?
C45 C50 1.516(2) . ?
C46 C47 1.379(3) . ?
C46 H46 0.9500 . ?
C47 C48 1.381(3) . ?
C47 H47 0.9500 . ?
C48 C49 1.396(2) . ?
C48 H48 0.9500 . ?
C49 C53 1.523(2) . ?
C50 C52 1.530(2) . ?
C50 C51 1.534(2) . ?
C50 H50 1.0000 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C55 1.531(2) . ?
C53 C54 1.533(2) . ?
C53 H53 1.0000 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ge1 C1 118.88(5) . . ?
N1 Ge1 C3 121.47(5) . . ?
C1 Ge1 C3 103.25(6) . . ?
N1 Ge1 Ge2 150.40(4) . . ?
C1 Ge1 Ge2 75.56(4) . . ?
C3 Ge1 Ge2 74.63(4) . . ?
N2 Ge2 C4 120.88(5) . . ?
N2 Ge2 C2 120.60(6) . . ?
C4 Ge2 C2 103.48(5) . . ?
N2 Ge2 Ge1 149.43(4) . . ?
C4 Ge2 Ge1 75.31(4) . . ?
C2 Ge2 Ge1 74.26(4) . . ?
N1 Si1 C43 109.55(7) . . ?
N1 Si1 C42 108.80(7) . . ?
C43 Si1 C42 110.68(10) . . ?
N1 Si1 C41 111.72(7) . . ?
C43 Si1 C41 108.74(9) . . ?
C42 Si1 C41 107.34(9) . . ?
N2 Si2 C58 108.68(7) . . ?
N2 Si2 C56 108.64(7) . . ?
C58 Si2 C56 111.05(9) . . ?
N2 Si2 C57 111.43(7) . . ?
C58 Si2 C57 108.96(8) . . ?
C56 Si2 C57 108.10(9) . . ?
C29 N1 Si1 121.05(9) . . ?
C29 N1 Ge1 117.42(9) . . ?
Si1 N1 Ge1 118.91(6) . . ?
C44 N2 Si2 118.71(9) . . ?
C44 N2 Ge2 119.37(9) . . ?
Si2 N2 Ge2 119.31(7) . . ?
C2 C1 C5 126.12(13) . . ?
C2 C1 Ge1 105.15(10) . . ?
C5 C1 Ge1 127.03(10) . . ?
C1 C2 C11 127.42(13) . . ?
C1 C2 Ge2 105.01(10) . . ?
C11 C2 Ge2 127.04(10) . . ?
C4 C3 C17 126.75(13) . . ?
C4 C3 Ge1 105.40(10) . . ?
C17 C3 Ge1 127.36(10) . . ?
C3 C4 C23 125.50(13) . . ?
C3 C4 Ge2 104.65(10) . . ?
C23 C4 Ge2 128.39(10) . . ?
C10 C5 C6 118.53(13) . . ?
C10 C5 C1 121.88(13) . . ?
C6 C5 C1 119.58(13) . . ?
C7 C6 C5 120.75(14) . . ?
C7 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
C8 C7 C6 120.07(15) . . ?
C8 C7 H7 120.0 . . ?
C6 C7 H7 120.0 . . ?
C7 C8 C9 119.70(14) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 H8 120.2 . . ?
C8 C9 C10 120.39(15) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C9 C10 C5 120.54(14) . . ?
C9 C10 H10 119.7 . . ?
C5 C10 H10 119.7 . . ?
C16 C11 C12 118.08(13) . . ?
C16 C11 C2 122.71(13) . . ?
C12 C11 C2 119.19(13) . . ?
C13 C12 C11 121.28(14) . . ?
C13 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C14 C13 C12 120.04(14) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 C15 119.53(14) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 H14 120.2 . . ?
C14 C15 C16 120.55(14) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 H15 119.7 . . ?
C15 C16 C11 120.52(14) . . ?
C15 C16 H16 119.7 . . ?
C11 C16 H16 119.7 . . ?
C22 C17 C18 118.32(14) . . ?
C22 C17 C3 121.81(13) . . ?
C18 C17 C3 119.83(13) . . ?
C19 C18 C17 120.81(15) . . ?
C19 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
C20 C19 C18 120.13(16) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C19 C20 C21 119.72(15) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 H20 120.1 . . ?
C20 C21 C22 120.40(16) . . ?
C20 C21 H21 119.8 . . ?
C22 C21 H21 119.8 . . ?
C21 C22 C17 120.62(15) . . ?
C21 C22 H22 119.7 . . ?
C17 C22 H22 119.7 . . ?
C24 C23 C28 118.25(13) . . ?
C24 C23 C4 121.74(13) . . ?
C28 C23 C4 120.01(13) . . ?
C25 C24 C23 120.73(14) . . ?
C25 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C26 C25 C24 120.46(14) . . ?
C26 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C25 C26 C27 119.49(14) . . ?
C25 C26 H26 120.3 . . ?
C27 C26 H26 120.3 . . ?
C28 C27 C26 120.22(15) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C27 C28 C23 120.84(14) . . ?
C27 C28 H28 119.6 . . ?
C23 C28 H28 119.6 . . ?
C30 C29 C34 119.86(13) . . ?
C30 C29 N1 120.93(12) . . ?
C34 C29 N1 119.21(12) . . ?
C31 C30 C29 119.12(14) . . ?
C31 C30 C35 117.79(13) . . ?
C29 C30 C35 123.09(13) . . ?
C32 C31 C30 121.05(15) . . ?
C32 C31 H31 119.5 . . ?
C30 C31 H31 119.5 . . ?
C33 C32 C31 119.67(14) . . ?
C33 C32 H32 120.2 . . ?
C31 C32 H32 120.2 . . ?
C32 C33 C34 121.57(14) . . ?
C32 C33 H33 119.2 . . ?
C34 C33 H33 119.2 . . ?
C33 C34 C29 118.71(14) . . ?
C33 C34 C38 117.92(13) . . ?
C29 C34 C38 123.35(13) . . ?
C30 C35 C37 111.26(13) . . ?
C30 C35 C36 110.94(13) . . ?
C37 C35 C36 110.23(14) . . ?
C30 C35 H35 108.1 . . ?
C37 C35 H35 108.1 . . ?
C36 C35 H35 108.1 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C34 C38 C39 111.63(13) . . ?
C34 C38 C40 110.94(13) . . ?
C39 C38 C40 108.79(13) . . ?
C34 C38 H38 108.5 . . ?
C39 C38 H38 108.5 . . ?
C40 C38 H38 108.5 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si1 C41 H41A 109.5 . . ?
Si1 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si1 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si1 C42 H42A 109.5 . . ?
Si1 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si1 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Si1 C43 H43A 109.5 . . ?
Si1 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
Si1 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C49 C44 C45 120.12(13) . . ?
C49 C44 N2 119.15(13) . . ?
C45 C44 N2 120.70(14) . . ?
C46 C45 C44 118.55(15) . . ?
C46 C45 C50 117.96(14) . . ?
C44 C45 C50 123.48(13) . . ?
C47 C46 C45 121.59(15) . . ?
C47 C46 H46 119.2 . . ?
C45 C46 H46 119.2 . . ?
C46 C47 C48 119.42(15) . . ?
C46 C47 H47 120.3 . . ?
C48 C47 H47 120.3 . . ?
C47 C48 C49 121.51(16) . . ?
C47 C48 H48 119.2 . . ?
C49 C48 H48 119.2 . . ?
C48 C49 C44 118.79(15) . . ?
C48 C49 C53 118.14(15) . . ?
C44 C49 C53 123.05(13) . . ?
C45 C50 C52 110.85(13) . . ?
C45 C50 C51 111.97(14) . . ?
C52 C50 C51 110.10(14) . . ?
C45 C50 H50 107.9 . . ?
C52 C50 H50 107.9 . . ?
C51 C50 H50 107.9 . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C50 C52 H52A 109.5 . . ?
C50 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C50 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C49 C53 C55 110.70(14) . . ?
C49 C53 C54 112.36(14) . . ?
C55 C53 C54 109.56(15) . . ?
C49 C53 H53 108.0 . . ?
C55 C53 H53 108.0 . . ?
C54 C53 H53 108.0 . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
Si2 C56 H56A 109.5 . . ?
Si2 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
Si2 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
Si2 C57 H57A 109.5 . . ?
Si2 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
Si2 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
Si2 C58 H58A 109.5 . . ?
Si2 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
Si2 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C43 Si1 N1 C29 -20.99(14) . . . . ?
C42 Si1 N1 C29 -142.10(12) . . . . ?
C41 Si1 N1 C29 99.57(12) . . . . ?
C43 Si1 N1 Ge1 177.84(9) . . . . ?
C42 Si1 N1 Ge1 56.73(10) . . . . ?
C41 Si1 N1 Ge1 -61.60(10) . . . . ?
C1 Ge1 N1 C29 9.51(12) . . . . ?
C3 Ge1 N1 C29 139.64(10) . . . . ?
Ge2 Ge1 N1 C29 -103.72(10) . . . . ?
C1 Ge1 N1 Si1 171.36(6) . . . . ?
C3 Ge1 N1 Si1 -58.51(9) . . . . ?
Ge2 Ge1 N1 Si1 58.13(11) . . . . ?
C58 Si2 N2 C44 -139.77(12) . . . . ?
C56 Si2 N2 C44 -18.82(14) . . . . ?
C57 Si2 N2 C44 100.17(12) . . . . ?
C58 Si2 N2 Ge2 58.65(10) . . . . ?
C56 Si2 N2 Ge2 179.60(9) . . . . ?
C57 Si2 N2 Ge2 -61.41(10) . . . . ?
C4 Ge2 N2 C44 8.32(14) . . . . ?
C2 Ge2 N2 C44 140.32(11) . . . . ?
Ge1 Ge2 N2 C44 -107.25(11) . . . . ?
C4 Ge2 N2 Si2 169.77(7) . . . . ?
C2 Ge2 N2 Si2 -58.22(10) . . . . ?
Ge1 Ge2 N2 Si2 54.21(12) . . . . ?
C5 C1 C2 C11 -7.8(2) . . . . ?
Ge1 C1 C2 C11 -173.74(12) . . . . ?
C5 C1 C2 Ge2 164.23(12) . . . . ?
Ge1 C1 C2 Ge2 -1.72(10) . . . . ?
C17 C3 C4 C23 -6.1(2) . . . . ?
Ge1 C3 C4 C23 166.28(11) . . . . ?
C17 C3 C4 Ge2 -173.28(12) . . . . ?
Ge1 C3 C4 Ge2 -0.87(10) . . . . ?
C2 C1 C5 C10 110.31(17) . . . . ?
Ge1 C1 C5 C10 -86.76(17) . . . . ?
C2 C1 C5 C6 -70.7(2) . . . . ?
Ge1 C1 C5 C6 92.27(16) . . . . ?
C10 C5 C6 C7 -1.0(2) . . . . ?
C1 C5 C6 C7 179.93(14) . . . . ?
C5 C6 C7 C8 -0.1(2) . . . . ?
C6 C7 C8 C9 0.7(3) . . . . ?
C7 C8 C9 C10 -0.3(3) . . . . ?
C8 C9 C10 C5 -0.9(3) . . . . ?
C6 C5 C10 C9 1.5(2) . . . . ?
C1 C5 C10 C9 -179.46(14) . . . . ?
C1 C2 C11 C16 -36.2(2) . . . . ?
Ge2 C2 C11 C16 153.51(12) . . . . ?
C1 C2 C11 C12 145.60(15) . . . . ?
Ge2 C2 C11 C12 -24.73(19) . . . . ?
C16 C11 C12 C13 0.4(2) . . . . ?
C2 C11 C12 C13 178.69(14) . . . . ?
C11 C12 C13 C14 -0.1(2) . . . . ?
C12 C13 C14 C15 -0.2(2) . . . . ?
C13 C14 C15 C16 0.2(2) . . . . ?
C14 C15 C16 C11 0.0(2) . . . . ?
C12 C11 C16 C15 -0.3(2) . . . . ?
C2 C11 C16 C15 -178.58(14) . . . . ?
C4 C3 C17 C22 -41.4(2) . . . . ?
Ge1 C3 C17 C22 147.83(12) . . . . ?
C4 C3 C17 C18 141.02(15) . . . . ?
Ge1 C3 C17 C18 -29.75(19) . . . . ?
C22 C17 C18 C19 0.8(2) . . . . ?
C3 C17 C18 C19 178.46(14) . . . . ?
C17 C18 C19 C20 -0.2(2) . . . . ?
C18 C19 C20 C21 -0.5(2) . . . . ?
C19 C20 C21 C22 0.7(2) . . . . ?
C20 C21 C22 C17 -0.1(2) . . . . ?
C18 C17 C22 C21 -0.7(2) . . . . ?
C3 C17 C22 C21 -178.29(14) . . . . ?
C3 C4 C23 C24 126.10(16) . . . . ?
Ge2 C4 C23 C24 -69.84(18) . . . . ?
C3 C4 C23 C28 -54.0(2) . . . . ?
Ge2 C4 C23 C28 110.10(14) . . . . ?
C28 C23 C24 C25 -0.2(2) . . . . ?
C4 C23 C24 C25 179.75(14) . . . . ?
C23 C24 C25 C26 -0.9(2) . . . . ?
C24 C25 C26 C27 1.2(3) . . . . ?
C25 C26 C27 C28 -0.3(3) . . . . ?
C26 C27 C28 C23 -0.8(2) . . . . ?
C24 C23 C28 C27 1.0(2) . . . . ?
C4 C23 C28 C27 -178.90(14) . . . . ?
Si1 N1 C29 C30 -87.34(15) . . . . ?
Ge1 N1 C29 C30 74.10(15) . . . . ?
Si1 N1 C29 C34 92.32(14) . . . . ?
Ge1 N1 C29 C34 -106.24(13) . . . . ?
C34 C29 C30 C31 1.0(2) . . . . ?
N1 C29 C30 C31 -179.29(13) . . . . ?
C34 C29 C30 C35 -179.83(13) . . . . ?
N1 C29 C30 C35 -0.2(2) . . . . ?
C29 C30 C31 C32 0.6(2) . . . . ?
C35 C30 C31 C32 -178.57(14) . . . . ?
C30 C31 C32 C33 -1.4(2) . . . . ?
C31 C32 C33 C34 0.6(2) . . . . ?
C32 C33 C34 C29 1.1(2) . . . . ?
C32 C33 C34 C38 179.66(14) . . . . ?
C30 C29 C34 C33 -1.9(2) . . . . ?
N1 C29 C34 C33 178.47(13) . . . . ?
C30 C29 C34 C38 179.63(13) . . . . ?
N1 C29 C34 C38 0.0(2) . . . . ?
C31 C30 C35 C37 -64.30(18) . . . . ?
C29 C30 C35 C37 116.56(16) . . . . ?
C31 C30 C35 C36 58.80(18) . . . . ?
C29 C30 C35 C36 -120.33(15) . . . . ?
C33 C34 C38 C39 57.52(18) . . . . ?
C29 C34 C38 C39 -123.96(15) . . . . ?
C33 C34 C38 C40 -63.99(18) . . . . ?
C29 C34 C38 C40 114.52(15) . . . . ?
Si2 N2 C44 C49 93.30(15) . . . . ?
Ge2 N2 C44 C49 -105.13(14) . . . . ?
Si2 N2 C44 C45 -85.06(15) . . . . ?
Ge2 N2 C44 C45 76.51(16) . . . . ?
C49 C44 C45 C46 -0.6(2) . . . . ?
N2 C44 C45 C46 177.78(13) . . . . ?
C49 C44 C45 C50 178.45(14) . . . . ?
N2 C44 C45 C50 -3.2(2) . . . . ?
C44 C45 C46 C47 0.5(2) . . . . ?
C50 C45 C46 C47 -178.59(15) . . . . ?
C45 C46 C47 C48 0.0(3) . . . . ?
C46 C47 C48 C49 -0.5(3) . . . . ?
C47 C48 C49 C44 0.4(2) . . . . ?
C47 C48 C49 C53 178.68(15) . . . . ?
C45 C44 C49 C48 0.1(2) . . . . ?
N2 C44 C49 C48 -178.23(13) . . . . ?
C45 C44 C49 C53 -178.06(14) . . . . ?
N2 C44 C49 C53 3.6(2) . . . . ?
C46 C45 C50 C52 64.84(18) . . . . ?
C44 C45 C50 C52 -114.18(16) . . . . ?
C46 C45 C50 C51 -58.54(19) . . . . ?
C44 C45 C50 C51 122.43(16) . . . . ?
C48 C49 C53 C55 -68.58(18) . . . . ?
C44 C49 C53 C55 109.63(17) . . . . ?
C48 C49 C53 C54 54.3(2) . . . . ?
C44 C49 C53 C54 -127.52(17) . . . . ?

_refine_diff_density_max         0.474
_refine_diff_density_min         -0.279
_refine_diff_density_rms         0.053

####################################################################### 
# 
# 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_shelx_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2007011'
loop_
_audit_author_name
_audit_author_address
'Felicitas Lips'
;Westfaelische Wilhelms Universitaet Muenster
Germany
;
_audit_update_record             
;
2020-06-01 deposited with the CCDC.	2020-07-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H60 Ge2 N2 Si2'
_chemical_formula_weight         698.20

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'

_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                   8.4166(4)
_cell_length_b                   14.6198(6)
_cell_length_c                   16.8627(7)
_cell_angle_alpha                69.7190(10)
_cell_angle_beta                 85.8760(10)
_cell_angle_gamma                76.0670(10)
_cell_volume                     1888.88(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9758
_cell_measurement_theta_min      2.61
_cell_measurement_theta_max      27.16

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.228
_exptl_crystal_F_000             740
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.315
_exptl_crystal_size_mid          0.295
_exptl_crystal_size_min          0.280
_exptl_absorpt_coefficient_mu    1.678
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5906
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22954
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.308
_diffrn_reflns_theta_max         27.161
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measured_fraction_theta_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_point_group_measured_fraction_full 0.982
_reflns_number_total             8234
_reflns_number_gt                7756
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0214P)²+1.4207P] 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         8234
_refine_ls_number_parameters     369
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0262
_refine_ls_R_factor_gt           0.0244
_refine_ls_wR_factor_ref         0.0623
_refine_ls_wR_factor_gt          0.0613
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.000
_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 0.76137(2) 0.43469(2) 0.35832(2) 0.01348(5) Uani 1 1 d . . . . .
Ge2 Ge 0.60671(2) 0.60279(2) 0.27524(2) 0.01337(5) Uani 1 1 d . . . . .
Si1 Si 1.10291(5) 0.28504(3) 0.36616(3) 0.01763(9) Uani 1 1 d . . . . .
Si2 Si 0.33562(5) 0.72525(3) 0.13301(3) 0.01741(9) Uani 1 1 d . . . . .
N1 N 0.88979(15) 0.30875(9) 0.37105(8) 0.0146(2) Uani 1 1 d . . . . .
N2 N 0.52923(16) 0.70497(9) 0.17607(8) 0.0151(2) Uani 1 1 d . . . . .
C1 C 0.5364(2) 0.43794(12) 0.40420(10) 0.0212(3) Uani 1 1 d . . . . .
H1A H 0.4919 0.3847 0.3964 0.025 Uiso 1 1 calc R U . . .
H1B H 0.5351 0.4295 0.4651 0.025 Uiso 1 1 calc R U . . .
C2 C 0.43765(19) 0.54328(12) 0.35130(10) 0.0195(3) Uani 1 1 d . . . . .
H2A H 0.3897 0.5831 0.3878 0.023 Uiso 1 1 calc R U . . .
H2B H 0.3489 0.5387 0.3184 0.023 Uiso 1 1 calc R U . . .
C3 C 0.8467(2) 0.52394(12) 0.40305(11) 0.0232(3) Uani 1 1 d . . . . .
H3A H 0.8180 0.5124 0.4632 0.028 Uiso 1 1 calc R U . . .
H3B H 0.9670 0.5138 0.3972 0.028 Uiso 1 1 calc R U . . .
C4 C 0.7579(2) 0.62988(12) 0.34580(10) 0.0198(3) Uani 1 1 d . . . . .
H4A H 0.8367 0.6666 0.3101 0.024 Uiso 1 1 calc R U . . .
H4B H 0.6962 0.6694 0.3800 0.024 Uiso 1 1 calc R U . . .
C5 C 0.80377(17) 0.23079(11) 0.38284(10) 0.0141(3) Uani 1 1 d . . . . .
C6 C 0.77030(18) 0.17169(11) 0.46503(10) 0.0151(3) Uani 1 1 d . . . . .
C7 C 0.68897(19) 0.09563(12) 0.47475(11) 0.0193(3) Uani 1 1 d . . . . .
H7 H 0.6666 0.0549 0.5300 0.023 Uiso 1 1 calc R U . . .
C8 C 0.6406(2) 0.07859(12) 0.40568(12) 0.0228(3) Uani 1 1 d . . . . .
H8 H 0.5862 0.0262 0.4135 0.027 Uiso 1 1 calc R U . . .
C9 C 0.6714(2) 0.13789(13) 0.32519(11) 0.0214(3) Uani 1 1 d . . . . .
H9 H 0.6363 0.1265 0.2778 0.026 Uiso 1 1 calc R U . . .
C10 C 0.75320(18) 0.21432(12) 0.31205(10) 0.0170(3) Uani 1 1 d . . . . .
C11 C 0.8163(2) 0.18780(12) 0.54349(10) 0.0194(3) Uani 1 1 d . . . . .
H11 H 0.8621 0.2489 0.5252 0.023 Uiso 1 1 calc R U . . .
C12 C 0.6662(2) 0.20572(15) 0.59769(11) 0.0289(4) Uani 1 1 d . . . . .
H12A H 0.5805 0.2602 0.5628 0.043 Uiso 1 1 calc R U . . .
H12B H 0.6967 0.2240 0.6442 0.043 Uiso 1 1 calc R U . . .
H12C H 0.6254 0.1444 0.6208 0.043 Uiso 1 1 calc R U . . .
C13 C 0.9479(2) 0.09902(14) 0.59638(12) 0.0297(4) Uani 1 1 d . . . . .
H13A H 0.9025 0.0394 0.6190 0.045 Uiso 1 1 calc R U . . .
H13B H 0.9833 0.1148 0.6432 0.045 Uiso 1 1 calc R U . . .
H13C H 1.0418 0.0861 0.5607 0.045 Uiso 1 1 calc R U . . .
C14 C 0.7785(2) 0.28027(14) 0.22216(10) 0.0225(3) Uani 1 1 d . . . . .
H14 H 0.8633 0.3171 0.2240 0.027 Uiso 1 1 calc R U . . .
C15 C 0.6196(2) 0.35815(14) 0.18676(11) 0.0273(4) Uani 1 1 d . . . . .
H15A H 0.5322 0.3238 0.1882 0.041 Uiso 1 1 calc R U . . .
H15B H 0.6364 0.3989 0.1283 0.041 Uiso 1 1 calc R U . . .
H15C H 0.5887 0.4015 0.2212 0.041 Uiso 1 1 calc R U . . .
C16 C 0.8385(3) 0.22075(18) 0.16263(13) 0.0386(5) Uani 1 1 d . . . . .
H16A H 0.9395 0.1706 0.1857 0.058 Uiso 1 1 calc R U . . .
H16B H 0.8601 0.2665 0.1069 0.058 Uiso 1 1 calc R U . . .
H16C H 0.7545 0.1871 0.1571 0.058 Uiso 1 1 calc R U . . .
C17 C 1.1791(2) 0.16622(14) 0.34428(15) 0.0333(4) Uani 1 1 d . . . . .
H17A H 1.2988 0.1518 0.3413 0.050 Uiso 1 1 calc R U . . .
H17B H 1.1454 0.1115 0.3897 0.050 Uiso 1 1 calc R U . . .
H17C H 1.1333 0.1726 0.2903 0.050 Uiso 1 1 calc R U . . .
C18 C 1.1991(2) 0.27533(16) 0.46574(12) 0.0328(4) Uani 1 1 d . . . . .
H18A H 1.3184 0.2620 0.4599 0.049 Uiso 1 1 calc R U . . .
H18B H 1.1598 0.3384 0.4770 0.049 Uiso 1 1 calc R U . . .
H18C H 1.1697 0.2205 0.5128 0.049 Uiso 1 1 calc R U . . .
C19 C 1.1633(2) 0.39015(14) 0.27929(12) 0.0271(4) Uani 1 1 d . . . . .
H19A H 1.2829 0.3773 0.2762 0.041 Uiso 1 1 calc R U . . .
H19B H 1.1182 0.3955 0.2255 0.041 Uiso 1 1 calc R U . . .
H19C H 1.1205 0.4530 0.2905 0.041 Uiso 1 1 calc R U . . .
C20 C 0.64448(18) 0.76030(11) 0.12737(9) 0.0154(3) Uani 1 1 d . . . . .
C21 C 0.73609(19) 0.72962(13) 0.06379(10) 0.0202(3) Uani 1 1 d . . . . .
C22 C 0.8364(2) 0.78957(15) 0.01283(11) 0.0268(4) Uani 1 1 d . . . . .
H22 H 0.8982 0.7697 -0.0303 0.032 Uiso 1 1 calc R U . . .
C23 C 0.8476(2) 0.87701(14) 0.02368(11) 0.0275(4) Uani 1 1 d . . . . .
H23 H 0.9136 0.9180 -0.0129 0.033 Uiso 1 1 calc R U . . .
C24 C 0.7627(2) 0.90480(13) 0.08786(11) 0.0227(3) Uani 1 1 d . . . . .
H24 H 0.7740 0.9639 0.0963 0.027 Uiso 1 1 calc R U . . .
C25 C 0.66047(19) 0.84775(11) 0.14078(10) 0.0168(3) Uani 1 1 d . . . . .
C26 C 0.7304(2) 0.63282(15) 0.05050(12) 0.0270(4) Uani 1 1 d . . . . .
H26 H 0.6368 0.6081 0.0838 0.032 Uiso 1 1 calc R U . . .
C27 C 0.8857(2) 0.55276(14) 0.08384(12) 0.0277(4) Uani 1 1 d . . . . .
H27A H 0.9792 0.5738 0.0508 0.042 Uiso 1 1 calc R U . . .
H27B H 0.8752 0.4896 0.0789 0.042 Uiso 1 1 calc R U . . .
H27C H 0.9027 0.5432 0.1433 0.042 Uiso 1 1 calc R U . . .
C28 C 0.7013(4) 0.6470(2) -0.04190(16) 0.0596(8) Uani 1 1 d . . . . .
H28A H 0.6040 0.7010 -0.0639 0.089 Uiso 1 1 calc R U . . .
H28B H 0.6845 0.5847 -0.0458 0.089 Uiso 1 1 calc R U . . .
H28C H 0.7967 0.6645 -0.0753 0.089 Uiso 1 1 calc R U . . .
C29 C 0.5693(2) 0.88301(12) 0.20974(10) 0.0211(3) Uani 1 1 d . . . . .
H29 H 0.5184 0.8282 0.2472 0.025 Uiso 1 1 calc R U . . .
C30 C 0.4318(3) 0.97604(15) 0.17264(13) 0.0343(4) Uani 1 1 d . . . . .
H30A H 0.4784 1.0310 0.1354 0.051 Uiso 1 1 calc R U . . .
H30B H 0.3730 0.9959 0.2186 0.051 Uiso 1 1 calc R U . . .
H30C H 0.3557 0.9609 0.1402 0.051 Uiso 1 1 calc R U . . .
C31 C 0.6849(3) 0.90349(14) 0.26442(12) 0.0317(4) Uani 1 1 d . . . . .
H31A H 0.7748 0.8442 0.2860 0.048 Uiso 1 1 calc R U . . .
H31B H 0.6244 0.9185 0.3120 0.048 Uiso 1 1 calc R U . . .
H31C H 0.7295 0.9608 0.2303 0.048 Uiso 1 1 calc R U . . .
C32 C 0.3038(2) 0.61177(14) 0.11494(12) 0.0284(4) Uani 1 1 d . . . . .
H32A H 0.1942 0.6264 0.0909 0.043 Uiso 1 1 calc R U . . .
H32B H 0.3862 0.5933 0.0757 0.043 Uiso 1 1 calc R U . . .
H32C H 0.3143 0.5561 0.1688 0.043 Uiso 1 1 calc R U . . .
C33 C 0.1699(2) 0.76047(16) 0.20378(12) 0.0308(4) Uani 1 1 d . . . . .
H33A H 0.0631 0.7713 0.1781 0.046 Uiso 1 1 calc R U . . .
H33B H 0.1798 0.7064 0.2587 0.046 Uiso 1 1 calc R U . . .
H33C H 0.1796 0.8222 0.2118 0.046 Uiso 1 1 calc R U . . .
C34 C 0.3189(2) 0.82880(13) 0.02924(11) 0.0247(4) Uani 1 1 d . . . . .
H34A H 0.2113 0.8417 0.0037 0.037 Uiso 1 1 calc R U . . .
H34B H 0.3322 0.8895 0.0378 0.037 Uiso 1 1 calc R U . . .
H34C H 0.4046 0.8096 -0.0083 0.037 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge1 N1 1.8454(13) . ?
Ge1 C1 1.9893(16) . ?
Ge1 C3 1.9997(16) . ?
Ge1 Ge2 2.4560(2) . ?
Ge2 N2 1.8464(13) . ?
Ge2 C4 1.9946(16) . ?
Ge2 C2 1.9967(16) . ?
Si1 N1 1.7446(13) . ?
Si1 C17 1.8545(19) . ?
Si1 C18 1.8627(19) . ?
Si1 C19 1.8638(18) . ?
Si2 N2 1.7489(13) . ?
Si2 C34 1.8627(17) . ?
Si2 C33 1.8645(19) . ?
Si2 C32 1.8689(19) . ?
N1 C5 1.4431(18) . ?
N2 C20 1.4396(19) . ?
C1 C2 1.548(2) . ?
C3 C4 1.549(2) . ?
C5 C6 1.406(2) . ?
C5 C10 1.409(2) . ?
C6 C7 1.399(2) . ?
C6 C11 1.513(2) . ?
C7 C8 1.379(2) . ?
C8 C9 1.380(3) . ?
C9 C10 1.396(2) . ?
C10 C14 1.520(2) . ?
C11 C12 1.530(2) . ?
C11 C13 1.534(2) . ?
C14 C16 1.530(2) . ?
C14 C15 1.533(2) . ?
C20 C25 1.411(2) . ?
C20 C21 1.412(2) . ?
C21 C22 1.396(2) . ?
C21 C26 1.520(2) . ?
C22 C23 1.378(3) . ?
C23 C24 1.379(3) . ?
C24 C25 1.397(2) . ?
C25 C29 1.518(2) . ?
C26 C27 1.519(2) . ?
C26 C28 1.529(3) . ?
C29 C30 1.529(2) . ?
C29 C31 1.532(2) . ?

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
N1 Ge1 C1 115.42(6) . . ?
N1 Ge1 C3 118.44(6) . . ?
C1 Ge1 C3 104.59(8) . . ?
N1 Ge1 Ge2 153.84(4) . . ?
C1 Ge1 Ge2 76.79(5) . . ?
C3 Ge1 Ge2 77.09(5) . . ?
N2 Ge2 C4 116.70(6) . . ?
N2 Ge2 C2 115.93(6) . . ?
C4 Ge2 C2 107.81(7) . . ?
N2 Ge2 Ge1 154.15(4) . . ?
C4 Ge2 Ge1 76.55(5) . . ?
C2 Ge2 Ge1 76.87(5) . . ?
N1 Si1 C17 108.40(7) . . ?
N1 Si1 C18 112.59(8) . . ?
C17 Si1 C18 109.47(10) . . ?
N1 Si1 C19 109.04(7) . . ?
C17 Si1 C19 109.85(10) . . ?
C18 Si1 C19 107.47(9) . . ?
N2 Si2 C34 107.79(7) . . ?
N2 Si2 C33 111.28(8) . . ?
C34 Si2 C33 109.54(9) . . ?
N2 Si2 C32 112.17(7) . . ?
C34 Si2 C32 108.41(8) . . ?
C33 Si2 C32 107.60(9) . . ?
C5 N1 Si1 121.44(10) . . ?
C5 N1 Ge1 116.20(10) . . ?
Si1 N1 Ge1 122.34(7) . . ?
C20 N2 Si2 119.38(10) . . ?
C20 N2 Ge2 116.80(9) . . ?
Si2 N2 Ge2 123.22(7) . . ?
C2 C1 Ge1 103.50(10) . . ?
C1 C2 Ge2 102.83(10) . . ?
C4 C3 Ge1 102.43(10) . . ?
C3 C4 Ge2 103.66(10) . . ?
C6 C5 C10 120.24(14) . . ?
C6 C5 N1 119.82(13) . . ?
C10 C5 N1 119.94(13) . . ?
C7 C6 C5 118.67(14) . . ?
C7 C6 C11 118.51(14) . . ?
C5 C6 C11 122.81(14) . . ?
C8 C7 C6 121.30(15) . . ?
C7 C8 C9 119.74(15) . . ?
C8 C9 C10 121.21(15) . . ?
C9 C10 C5 118.82(15) . . ?
C9 C10 C14 119.25(14) . . ?
C5 C10 C14 121.88(14) . . ?
C6 C11 C12 111.13(14) . . ?
C6 C11 C13 111.54(14) . . ?
C12 C11 C13 109.86(14) . . ?
C10 C14 C16 113.14(16) . . ?
C10 C14 C15 110.19(14) . . ?
C16 C14 C15 109.68(15) . . ?
C25 C20 C21 120.04(14) . . ?
C25 C20 N2 119.86(14) . . ?
C21 C20 N2 120.04(14) . . ?
C22 C21 C20 118.67(16) . . ?
C22 C21 C26 119.45(16) . . ?
C20 C21 C26 121.87(15) . . ?
C23 C22 C21 121.42(16) . . ?
C22 C23 C24 119.73(16) . . ?
C23 C24 C25 121.32(16) . . ?
C24 C25 C20 118.73(15) . . ?
C24 C25 C29 118.68(15) . . ?
C20 C25 C29 122.59(14) . . ?
C27 C26 C21 111.03(14) . . ?
C27 C26 C28 109.86(16) . . ?
C21 C26 C28 112.94(18) . . ?
C25 C29 C30 111.26(14) . . ?
C25 C29 C31 111.74(15) . . ?
C30 C29 C31 110.27(15) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C17 Si1 N1 C5 17.65(15) . . . . ?
C18 Si1 N1 C5 -103.60(13) . . . . ?
C19 Si1 N1 C5 137.22(12) . . . . ?
C17 Si1 N1 Ge1 -160.46(10) . . . . ?
C18 Si1 N1 Ge1 78.29(11) . . . . ?
C19 Si1 N1 Ge1 -40.89(11) . . . . ?
C1 Ge1 N1 C5 22.06(13) . . . . ?
C3 Ge1 N1 C5 147.13(11) . . . . ?
Ge2 Ge1 N1 C5 -91.11(13) . . . . ?
C1 Ge1 N1 Si1 -159.74(8) . . . . ?
C3 Ge1 N1 Si1 -34.67(12) . . . . ?
Ge2 Ge1 N1 Si1 87.09(11) . . . . ?
C34 Si2 N2 C20 -4.44(14) . . . . ?
C33 Si2 N2 C20 -124.57(13) . . . . ?
C32 Si2 N2 C20 114.83(13) . . . . ?
C34 Si2 N2 Ge2 -175.31(9) . . . . ?
C33 Si2 N2 Ge2 64.56(11) . . . . ?
C32 Si2 N2 Ge2 -56.04(11) . . . . ?
C4 Ge2 N2 C20 40.99(13) . . . . ?
C2 Ge2 N2 C20 169.69(11) . . . . ?
Ge1 Ge2 N2 C20 -75.18(15) . . . . ?
C4 Ge2 N2 Si2 -147.92(9) . . . . ?
C2 Ge2 N2 Si2 -19.22(11) . . . . ?
Ge1 Ge2 N2 Si2 95.91(11) . . . . ?
Ge1 C1 C2 Ge2 -0.85(12) . . . . ?
Ge1 C3 C4 Ge2 4.92(12) . . . . ?
Si1 N1 C5 C6 89.83(16) . . . . ?
Ge1 N1 C5 C6 -91.95(14) . . . . ?
Si1 N1 C5 C10 -90.36(16) . . . . ?
Ge1 N1 C5 C10 87.86(15) . . . . ?
C10 C5 C6 C7 1.1(2) . . . . ?
N1 C5 C6 C7 -179.04(13) . . . . ?
C10 C5 C6 C11 -177.93(14) . . . . ?
N1 C5 C6 C11 1.9(2) . . . . ?
C5 C6 C7 C8 -0.5(2) . . . . ?
C11 C6 C7 C8 178.58(15) . . . . ?
C6 C7 C8 C9 -0.5(2) . . . . ?
C7 C8 C9 C10 1.0(3) . . . . ?
C8 C9 C10 C5 -0.3(2) . . . . ?
C8 C9 C10 C14 -177.65(15) . . . . ?
C6 C5 C10 C9 -0.7(2) . . . . ?
N1 C5 C10 C9 179.47(14) . . . . ?
C6 C5 C10 C14 176.51(14) . . . . ?
N1 C5 C10 C14 -3.3(2) . . . . ?
C7 C6 C11 C12 -55.67(19) . . . . ?
C5 C6 C11 C12 123.41(16) . . . . ?
C7 C6 C11 C13 67.30(19) . . . . ?
C5 C6 C11 C13 -113.62(17) . . . . ?
C9 C10 C14 C16 -45.5(2) . . . . ?
C5 C10 C14 C16 137.24(16) . . . . ?
C9 C10 C14 C15 77.65(19) . . . . ?
C5 C10 C14 C15 -99.57(17) . . . . ?
Si2 N2 C20 C25 96.96(15) . . . . ?
Ge2 N2 C20 C25 -91.59(15) . . . . ?
Si2 N2 C20 C21 -80.27(16) . . . . ?
Ge2 N2 C20 C21 91.18(15) . . . . ?
C25 C20 C21 C22 -2.6(2) . . . . ?
N2 C20 C21 C22 174.58(14) . . . . ?
C25 C20 C21 C26 176.35(14) . . . . ?
N2 C20 C21 C26 -6.4(2) . . . . ?
C20 C21 C22 C23 0.2(2) . . . . ?
C26 C21 C22 C23 -178.79(16) . . . . ?
C21 C22 C23 C24 2.2(3) . . . . ?
C22 C23 C24 C25 -2.2(3) . . . . ?
C23 C24 C25 C20 -0.2(2) . . . . ?
C23 C24 C25 C29 -179.46(15) . . . . ?
C21 C20 C25 C24 2.6(2) . . . . ?
N2 C20 C25 C24 -174.59(14) . . . . ?
C21 C20 C25 C29 -178.15(14) . . . . ?
N2 C20 C25 C29 4.6(2) . . . . ?
C22 C21 C26 C27 73.9(2) . . . . ?
C20 C21 C26 C27 -105.11(18) . . . . ?
C22 C21 C26 C28 -50.0(2) . . . . ?
C20 C21 C26 C28 130.98(19) . . . . ?
C24 C25 C29 C30 71.6(2) . . . . ?
C20 C25 C29 C30 -107.62(18) . . . . ?
C24 C25 C29 C31 -52.13(19) . . . . ?
C20 C25 C29 C31 128.65(16) . . . . ?

_refine_diff_density_max         0.360
_refine_diff_density_min         -0.419
_refine_diff_density_rms         0.061

####################################################################### 
# 
# 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_fl191114t1_a
_database_code_depnum_ccdc_archive 'CCDC 2007014'
loop_
_audit_author_name
_audit_author_address
'Felicitas Lips'
;Westfaelische Wilhelms Universitaet Muenster
Germany
;
_audit_update_record             
;
2020-06-01 deposited with the CCDC.	2020-07-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H82 Ge2 N2 Si2'
_chemical_formula_weight         888.51

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'
N N 0.0311 0.0180 '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'
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                   9.1917(3)
_cell_length_b                   10.5041(4)
_cell_length_c                   13.6603(5)
_cell_angle_alpha                100.7620(10)
_cell_angle_beta                 90.7000(10)
_cell_angle_gamma                106.8920(10)
_cell_volume                     1236.70(8)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9740
_cell_measurement_theta_min      3.30
_cell_measurement_theta_max      70.14

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.193
_exptl_crystal_F_000             476
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.305
_exptl_crystal_size_mid          0.285
_exptl_crystal_size_min          0.275
_exptl_absorpt_coefficient_mu    2.186
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5337
_exptl_absorpt_correction_T_max  0.7194
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            30688
_diffrn_reflns_av_unetI/netI     0.0306
_diffrn_reflns_av_R_equivalents  0.0484
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.301
_diffrn_reflns_theta_max         70.439
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measured_fraction_theta_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_point_group_measured_fraction_full 0.988
_reflns_number_total             4626
_reflns_number_gt                4571
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0441P)²+1.0170P] 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         4626
_refine_ls_number_parameters     254
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0301
_refine_ls_wR_factor_ref         0.0824
_refine_ls_wR_factor_gt          0.0822
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.000
_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 0.35835(2) 0.38096(2) 0.20003(2) 0.01243(8) Uani 1 1 d . . . . .
Si1 Si 0.52810(5) 0.23407(5) 0.32166(3) 0.01577(12) Uani 1 1 d . . . . .
N1 N 0.36097(16) 0.23936(14) 0.26457(10) 0.0132(3) Uani 1 1 d . . . . .
C1 C 0.5117(2) 0.39075(18) 0.09958(13) 0.0176(4) Uani 1 1 d . . . . .
H1A H 0.611078 0.399020 0.133028 0.021 Uiso 1 1 calc R U . . .
H1B H 0.481915 0.304747 0.049483 0.021 Uiso 1 1 calc R U . . .
C2 C 0.53105(19) 0.50750(18) 0.04612(13) 0.0169(3) Uani 1 1 d . . . . .
C3 C 0.6264(2) 0.64450(19) 0.10484(14) 0.0239(4) Uani 1 1 d . . . . .
H3A H 0.702550 0.688934 0.062648 0.036 Uiso 1 1 calc R U . . .
H3B H 0.678043 0.631743 0.163829 0.036 Uiso 1 1 calc R U . . .
H3C H 0.560237 0.701311 0.125984 0.036 Uiso 1 1 calc R U . . .
C4 C 0.1553(2) 0.36683(18) 0.14547(14) 0.0187(4) Uani 1 1 d . . . . .
H4A H 0.152567 0.357943 0.071981 0.022 Uiso 1 1 calc R U . . .
H4B H 0.077681 0.287880 0.162176 0.022 Uiso 1 1 calc R U . . .
C5 C 0.1289(2) 0.49909(19) 0.19569(14) 0.0203(4) Uani 1 1 d . . . . .
C6 C 0.2319(2) 0.58619(18) 0.26571(14) 0.0201(4) Uani 1 1 d . . . . .
C7 C 0.3727(2) 0.55069(17) 0.29458(14) 0.0187(4) Uani 1 1 d . . . . .
H7A H 0.372045 0.536986 0.364357 0.022 Uiso 1 1 calc R U . . .
H7B H 0.466572 0.622902 0.287303 0.022 Uiso 1 1 calc R U . . .
C8 C -0.0191(3) 0.5185(2) 0.16405(18) 0.0340(5) Uani 1 1 d . . . . .
H8A H -0.024325 0.607551 0.198411 0.051 Uiso 1 1 calc R U . . .
H8B H -0.104297 0.447216 0.181421 0.051 Uiso 1 1 calc R U . . .
H8C H -0.025176 0.513376 0.091675 0.051 Uiso 1 1 calc R U . . .
C9 C 0.2181(3) 0.7176(2) 0.32508(16) 0.0320(5) Uani 1 1 d . . . . .
H9A H 0.129800 0.737296 0.297722 0.048 Uiso 1 1 calc R U . . .
H9B H 0.310728 0.791233 0.321196 0.048 Uiso 1 1 calc R U . . .
H9C H 0.204695 0.709695 0.394993 0.048 Uiso 1 1 calc R U . . .
C10 C 0.21994(19) 0.13178(16) 0.26015(12) 0.0128(3) Uani 1 1 d . . . . .
C11 C 0.1179(2) 0.14013(17) 0.33616(13) 0.0152(3) Uani 1 1 d . . . . .
C12 C -0.0202(2) 0.03785(18) 0.32818(13) 0.0180(4) Uani 1 1 d . . . . .
H12 H -0.089454 0.043358 0.378750 0.022 Uiso 1 1 calc R U . . .
C13 C -0.0595(2) -0.07146(18) 0.24878(13) 0.0193(4) Uani 1 1 d . . . . .
H13 H -0.154799 -0.139624 0.244634 0.023 Uiso 1 1 calc R U . . .
C14 C 0.0415(2) -0.08062(17) 0.17532(13) 0.0184(4) Uani 1 1 d . . . . .
H14 H 0.015189 -0.156321 0.121150 0.022 Uiso 1 1 calc R U . . .
C15 C 0.1816(2) 0.01941(17) 0.17934(13) 0.0151(3) Uani 1 1 d . . . . .
C16 C 0.1517(2) 0.25730(17) 0.42545(13) 0.0165(3) Uani 1 1 d . . . . .
H16 H 0.258516 0.316048 0.423448 0.020 Uiso 1 1 calc R U . . .
C17 C 0.0439(2) 0.34347(19) 0.42048(14) 0.0225(4) Uani 1 1 d . . . . .
H17A H 0.054548 0.377568 0.358069 0.034 Uiso 1 1 calc R U . . .
H17B H 0.069646 0.420227 0.477359 0.034 Uiso 1 1 calc R U . . .
H17C H -0.061499 0.287717 0.422833 0.034 Uiso 1 1 calc R U . . .
C18 C 0.1387(2) 0.2079(2) 0.52465(13) 0.0235(4) Uani 1 1 d . . . . .
H18A H 0.032945 0.155515 0.530188 0.035 Uiso 1 1 calc R U . . .
H18B H 0.169894 0.286219 0.580243 0.035 Uiso 1 1 calc R U . . .
H18C H 0.205112 0.150247 0.526932 0.035 Uiso 1 1 calc R U . . .
C19 C 0.2848(2) 0.00600(17) 0.09456(13) 0.0171(4) Uani 1 1 d . . . . .
H19 H 0.382590 0.080916 0.112833 0.021 Uiso 1 1 calc R U . . .
C20 C 0.2143(2) 0.0239(2) -0.00221(13) 0.0221(4) Uani 1 1 d . . . . .
H20A H 0.121639 -0.051821 -0.024548 0.033 Uiso 1 1 calc R U . . .
H20B H 0.287496 0.025530 -0.053852 0.033 Uiso 1 1 calc R U . . .
H20C H 0.188579 0.109519 0.009853 0.033 Uiso 1 1 calc R U . . .
C21 C 0.3229(2) -0.1286(2) 0.07841(16) 0.0273(4) Uani 1 1 d . . . . .
H21A H 0.365697 -0.139369 0.141361 0.041 Uiso 1 1 calc R U . . .
H21B H 0.397588 -0.128813 0.027802 0.041 Uiso 1 1 calc R U . . .
H21C H 0.229986 -0.203876 0.055714 0.041 Uiso 1 1 calc R U . . .
C22 C 0.6456(2) 0.4123(2) 0.37361(15) 0.0248(4) Uani 1 1 d . . . . .
H22A H 0.668881 0.462648 0.319308 0.037 Uiso 1 1 calc R U . . .
H22B H 0.740758 0.411829 0.406438 0.037 Uiso 1 1 calc R U . . .
H22C H 0.588739 0.455974 0.422351 0.037 Uiso 1 1 calc R U . . .
C23 C 0.6461(2) 0.1536(2) 0.23434(15) 0.0266(4) Uani 1 1 d . . . . .
H23A H 0.593612 0.056308 0.213229 0.040 Uiso 1 1 calc R U . . .
H23B H 0.745267 0.166408 0.268434 0.040 Uiso 1 1 calc R U . . .
H23C H 0.661312 0.195940 0.175627 0.040 Uiso 1 1 calc R U . . .
C24 C 0.4860(3) 0.1375(2) 0.42475(16) 0.0309(5) Uani 1 1 d . . . . .
H24A H 0.455765 0.192885 0.482184 0.046 Uiso 1 1 calc R U . . .
H24B H 0.577282 0.115420 0.444441 0.046 Uiso 1 1 calc R U . . .
H24C H 0.402925 0.053411 0.401783 0.046 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge1 N1 1.8708(14) . ?
Ge1 C4 1.9553(18) . ?
Ge1 C7 1.9656(17) . ?
Ge1 C1 1.9737(17) . ?
Si1 N1 1.7342(14) . ?
Si1 C24 1.866(2) . ?
Si1 C22 1.8667(19) . ?
Si1 C23 1.8715(19) . ?
N1 C10 1.443(2) . ?
C1 C2 1.510(2) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C2 1.340(4) 2_665 ?
C2 C3 1.517(2) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.518(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.340(3) . ?
C5 C8 1.503(3) . ?
C6 C9 1.505(3) . ?
C6 C7 1.514(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
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 C15 1.414(2) . ?
C10 C11 1.415(2) . ?
C11 C12 1.392(2) . ?
C11 C16 1.519(2) . ?
C12 C13 1.382(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.385(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.398(2) . ?
C14 H14 0.9500 . ?
C15 C19 1.518(2) . ?
C16 C17 1.533(2) . ?
C16 C18 1.533(2) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.532(2) . ?
C19 C21 1.532(2) . ?
C19 H19 1.0000 . ?
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 . ?

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
N1 Ge1 C4 113.34(7) . . ?
N1 Ge1 C7 112.41(7) . . ?
C4 Ge1 C7 92.77(8) . . ?
N1 Ge1 C1 107.87(7) . . ?
C4 Ge1 C1 113.64(8) . . ?
C7 Ge1 C1 116.41(7) . . ?
N1 Si1 C24 110.76(9) . . ?
N1 Si1 C22 108.01(8) . . ?
C24 Si1 C22 109.49(10) . . ?
N1 Si1 C23 113.63(8) . . ?
C24 Si1 C23 107.41(10) . . ?
C22 Si1 C23 107.44(9) . . ?
C10 N1 Si1 121.69(11) . . ?
C10 N1 Ge1 117.04(11) . . ?
Si1 N1 Ge1 121.20(8) . . ?
C2 C1 Ge1 114.07(12) . . ?
C2 C1 H1A 108.7 . . ?
Ge1 C1 H1A 108.7 . . ?
C2 C1 H1B 108.7 . . ?
Ge1 C1 H1B 108.7 . . ?
H1A C1 H1B 107.6 . . ?
C2 C2 C1 123.0(2) 2_665 . ?
C2 C2 C3 122.0(2) 2_665 . ?
C1 C2 C3 114.97(16) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C4 Ge1 103.73(12) . . ?
C5 C4 H4A 111.0 . . ?
Ge1 C4 H4A 111.0 . . ?
C5 C4 H4B 111.0 . . ?
Ge1 C4 H4B 111.0 . . ?
H4A C4 H4B 109.0 . . ?
C6 C5 C8 124.86(18) . . ?
C6 C5 C4 119.74(16) . . ?
C8 C5 C4 115.36(17) . . ?
C5 C6 C9 125.77(18) . . ?
C5 C6 C7 119.51(16) . . ?
C9 C6 C7 114.63(17) . . ?
C6 C7 Ge1 103.68(12) . . ?
C6 C7 H7A 111.0 . . ?
Ge1 C7 H7A 111.0 . . ?
C6 C7 H7B 111.0 . . ?
Ge1 C7 H7B 111.0 . . ?
H7A C7 H7B 109.0 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C15 C10 C11 119.77(15) . . ?
C15 C10 N1 120.41(15) . . ?
C11 C10 N1 119.81(15) . . ?
C12 C11 C10 118.76(16) . . ?
C12 C11 C16 118.52(15) . . ?
C10 C11 C16 122.71(15) . . ?
C13 C12 C11 121.85(16) . . ?
C13 C12 H12 119.1 . . ?
C11 C12 H12 119.1 . . ?
C12 C13 C14 119.32(16) . . ?
C12 C13 H13 120.3 . . ?
C14 C13 H13 120.3 . . ?
C13 C14 C15 121.27(16) . . ?
C13 C14 H14 119.4 . . ?
C15 C14 H14 119.4 . . ?
C14 C15 C10 119.02(16) . . ?
C14 C15 C19 118.68(15) . . ?
C10 C15 C19 122.26(15) . . ?
C11 C16 C17 110.63(15) . . ?
C11 C16 C18 111.93(14) . . ?
C17 C16 C18 109.42(15) . . ?
C11 C16 H16 108.3 . . ?
C17 C16 H16 108.3 . . ?
C18 C16 H16 108.3 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C15 C19 C20 110.76(14) . . ?
C15 C19 C21 112.45(15) . . ?
C20 C19 C21 110.58(15) . . ?
C15 C19 H19 107.6 . . ?
C20 C19 H19 107.6 . . ?
C21 C19 H19 107.6 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si1 C22 H22A 109.5 . . ?
Si1 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si1 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si1 C23 H23A 109.5 . . ?
Si1 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si1 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si1 C24 H24A 109.5 . . ?
Si1 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si1 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C24 Si1 N1 C10 -29.59(15) . . . . ?
C22 Si1 N1 C10 -149.48(13) . . . . ?
C23 Si1 N1 C10 91.42(15) . . . . ?
C24 Si1 N1 Ge1 153.67(10) . . . . ?
C22 Si1 N1 Ge1 33.77(12) . . . . ?
C23 Si1 N1 Ge1 -85.32(11) . . . . ?
C4 Ge1 N1 C10 4.98(14) . . . . ?
C7 Ge1 N1 C10 108.56(12) . . . . ?
C1 Ge1 N1 C10 -121.75(12) . . . . ?
C4 Ge1 N1 Si1 -178.14(8) . . . . ?
C7 Ge1 N1 Si1 -74.55(10) . . . . ?
C1 Ge1 N1 Si1 55.13(11) . . . . ?
Ge1 C1 C2 C2 -101.4(2) . . . 2_665 ?
Ge1 C1 C2 C3 78.49(17) . . . . ?
Ge1 C4 C5 C6 -4.7(2) . . . . ?
Ge1 C4 C5 C8 177.76(14) . . . . ?
C8 C5 C6 C9 0.3(3) . . . . ?
C4 C5 C6 C9 -177.03(18) . . . . ?
C8 C5 C6 C7 176.65(18) . . . . ?
C4 C5 C6 C7 -0.6(3) . . . . ?
C5 C6 C7 Ge1 5.6(2) . . . . ?
C9 C6 C7 Ge1 -177.65(14) . . . . ?
Si1 N1 C10 C15 -89.32(17) . . . . ?
Ge1 N1 C10 C15 87.55(17) . . . . ?
Si1 N1 C10 C11 91.96(17) . . . . ?
Ge1 N1 C10 C11 -91.17(17) . . . . ?
C15 C10 C11 C12 -1.3(2) . . . . ?
N1 C10 C11 C12 177.42(15) . . . . ?
C15 C10 C11 C16 179.65(15) . . . . ?
N1 C10 C11 C16 -1.6(2) . . . . ?
C10 C11 C12 C13 0.5(3) . . . . ?
C16 C11 C12 C13 179.56(16) . . . . ?
C11 C12 C13 C14 0.6(3) . . . . ?
C12 C13 C14 C15 -0.8(3) . . . . ?
C13 C14 C15 C10 0.0(3) . . . . ?
C13 C14 C15 C19 -177.82(16) . . . . ?
C11 C10 C15 C14 1.1(2) . . . . ?
N1 C10 C15 C14 -177.62(15) . . . . ?
C11 C10 C15 C19 178.79(15) . . . . ?
N1 C10 C15 C19 0.1(2) . . . . ?
C12 C11 C16 C17 -67.2(2) . . . . ?
C10 C11 C16 C17 111.82(18) . . . . ?
C12 C11 C16 C18 55.1(2) . . . . ?
C10 C11 C16 C18 -125.87(18) . . . . ?
C14 C15 C19 C20 67.7(2) . . . . ?
C10 C15 C19 C20 -110.02(18) . . . . ?
C14 C15 C19 C21 -56.6(2) . . . . ?
C10 C15 C19 C21 125.70(18) . . . . ?

_refine_diff_density_max         0.367
_refine_diff_density_min         -0.502
_refine_diff_density_rms         0.068

