# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_1b
_database_code_depnum_ccdc_archive 'CCDC 1855736'
_audit_update_record             
;
2018-07-13 deposited with the CCDC.
2018-09-25 downloaded from the CCDC.
;

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'C17 H41 Ge N3 Si2'
_chemical_formula_sum            'C17 H41 Ge N3 Si2'
_chemical_formula_weight         416.32

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.8800(19)
_cell_length_b                   11.262(3)
_cell_length_c                   13.201(3)
_cell_angle_alpha                90.873(4)
_cell_angle_beta                 104.888(4)
_cell_angle_gamma                105.925(5)
_cell_volume                     1221.7(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    253(2)
_cell_measurement_reflns_used    8033
_cell_measurement_theta_min      3.57
_cell_measurement_theta_max      29.41

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_exptl_crystal_density_diffrn    1.132
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             448

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    1.356
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_absorpt_correction_T_min  0.6743
_exptl_absorpt_correction_T_max  0.7470

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      253(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_measurement_device_type  'Bruker Kappa APEX II Quazar'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_av_R_equivalents  0.0281
_diffrn_reflns_av_unetI/netI     0.0304
_diffrn_reflns_number            25261
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         5.126
_diffrn_reflns_theta_max         30.507
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_reflns_Friedel_coverage         0
_reflns_number_total             7415
_reflns_number_gt                5852
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       APEX2
_computing_cell_refinement       SAINT
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0465P)²+0.2109P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         7415
_refine_ls_number_parameters     221
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0336
_refine_ls_wR_factor_ref         0.0921
_refine_ls_wR_factor_gt          0.086
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.462
_refine_diff_density_min         -0.23
_refine_diff_density_rms         0.05

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

loop_
_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
C1 C 0.4550(2) 0.54028(14) 0.74478(13) 0.0362(3) Uani 1 1 d . . . . .
C2 C 0.3427(2) 0.41804(16) 0.76467(16) 0.0481(4) Uani 1 1 d . . . . .
C3 C 0.1878(3) 0.4425(2) 0.7817(2) 0.0746(7) Uani 1 1 d . . . . .
H3A H 0.218 0.5061 0.8396 0.112 Uiso 1 1 calc R U . . .
H3B H 0.1184 0.3667 0.7981 0.112 Uiso 1 1 calc R U . . .
H3C H 0.1296 0.4701 0.7181 0.112 Uiso 1 1 calc R U . . .
C4 C 0.3027(3) 0.32394(18) 0.66867(19) 0.0675(6) Uani 1 1 d . . . . .
H4A H 0.2536 0.3574 0.6055 0.101 Uiso 1 1 calc R U . . .
H4B H 0.2274 0.247 0.6781 0.101 Uiso 1 1 calc R U . . .
H4C H 0.402 0.3082 0.6621 0.101 Uiso 1 1 calc R U . . .
C5 C 0.4148(3) 0.3603(2) 0.86263(19) 0.0673(6) Uani 1 1 d . . . . .
H5A H 0.5134 0.3432 0.8563 0.101 Uiso 1 1 calc R U . . .
H5B H 0.3366 0.2835 0.8693 0.101 Uiso 1 1 calc R U . . .
H5C H 0.44 0.4174 0.9245 0.101 Uiso 1 1 calc R U . . .
C6 C 0.2595(2) 0.59412(18) 0.58565(16) 0.0527(5) Uani 1 1 d . . . . .
H6 H 0.1827 0.5128 0.5892 0.063 Uiso 1 1 calc R U . . .
C7 C 0.2965(4) 0.5957(3) 0.48002(19) 0.0864(9) Uani 1 1 d . . . . .
H7A H 0.3743 0.6741 0.4768 0.13 Uiso 1 1 calc R U . . .
H7B H 0.197 0.5855 0.4244 0.13 Uiso 1 1 calc R U . . .
H7C H 0.342 0.5284 0.4711 0.13 Uiso 1 1 calc R U . . .
C8 C 0.1831(3) 0.6949(3) 0.5995(2) 0.0825(8) Uani 1 1 d . . . . .
H8A H 0.1532 0.6892 0.6653 0.124 Uiso 1 1 calc R U . . .
H8B H 0.0866 0.6854 0.5416 0.124 Uiso 1 1 calc R U . . .
H8C H 0.2602 0.7752 0.6006 0.124 Uiso 1 1 calc R U . . .
C9 C 0.7351(3) 0.5572(2) 0.87054(16) 0.0511(4) Uani 1 1 d . . . . .
H9 H 0.6868 0.5142 0.9245 0.061 Uiso 1 1 calc R U . . .
C10 C 0.7994(4) 0.4684(3) 0.8164(2) 0.0849(9) Uani 1 1 d . . . . .
H10A H 0.7094 0.3983 0.7794 0.127 Uiso 1 1 calc R U . . .
H10B H 0.8761 0.439 0.8688 0.127 Uiso 1 1 calc R U . . .
H10C H 0.8535 0.5114 0.7666 0.127 Uiso 1 1 calc R U . . .
C11 C 0.8695(3) 0.6727(3) 0.9233(2) 0.0769(7) Uani 1 1 d . . . . .
H11A H 0.9144 0.7175 0.8706 0.115 Uiso 1 1 calc R U . . .
H11B H 0.9544 0.6493 0.974 0.115 Uiso 1 1 calc R U . . .
H11C H 0.8256 0.7254 0.9592 0.115 Uiso 1 1 calc R U . . .
C12 C 0.4606(3) 0.7922(2) 0.88621(18) 0.0592(5) Uani 1 1 d . . . . .
H12A H 0.3659 0.7476 0.8304 0.089 Uiso 1 1 calc R U . . .
H12B H 0.4258 0.8268 0.9409 0.089 Uiso 1 1 calc R U . . .
H12C H 0.522 0.7358 0.9156 0.089 Uiso 1 1 calc R U . . .
C13 C 0.4633(3) 1.0256(2) 0.7848(2) 0.0663(6) Uani 1 1 d . . . . .
H13A H 0.5323 1.1047 0.7736 0.099 Uiso 1 1 calc R U . . .
H13B H 0.4086 1.0382 0.8371 0.099 Uiso 1 1 calc R U . . .
H13C H 0.383 0.9888 0.7191 0.099 Uiso 1 1 calc R U . . .
C14 C 0.7636(3) 1.0036(3) 0.94633(19) 0.0778(8) Uani 1 1 d . . . . .
H14A H 0.8319 0.9504 0.9718 0.117 Uiso 1 1 calc R U . . .
H14B H 0.721 1.026 1.0022 0.117 Uiso 1 1 calc R U . . .
H14C H 0.8275 1.0781 0.9243 0.117 Uiso 1 1 calc R U . . .
C15 C 0.7309(5) 0.9462(3) 0.5308(2) 0.1086(13) Uani 1 1 d . . . . .
H15A H 0.7359 0.8645 0.5105 0.163 Uiso 1 1 calc R U . . .
H15B H 0.8032 1.0085 0.5016 0.163 Uiso 1 1 calc R U . . .
H15C H 0.6203 0.9508 0.5041 0.163 Uiso 1 1 calc R U . . .
C16 C 1.0040(3) 0.9612(4) 0.7247(4) 0.1180(14) Uani 1 1 d . . . . .
H16A H 1.0409 0.9785 0.8006 0.177 Uiso 1 1 calc R U . . .
H16B H 1.076 1.0203 0.6929 0.177 Uiso 1 1 calc R U . . .
H16C H 1.0047 0.8779 0.7057 0.177 Uiso 1 1 calc R U . . .
C17 C 0.8045(5) 1.1397(2) 0.7013(3) 0.1015(11) Uani 1 1 d . . . . .
H17A H 0.6964 1.1498 0.6762 0.152 Uiso 1 1 calc R U . . .
H17B H 0.8761 1.1909 0.6644 0.152 Uiso 1 1 calc R U . . .
H17C H 0.8462 1.1647 0.7762 0.152 Uiso 1 1 calc R U . . .
N1 N 0.40972(17) 0.61115(13) 0.66936(11) 0.0399(3) Uani 1 1 d . . . . .
N2 N 0.61034(17) 0.59674(13) 0.79492(11) 0.0384(3) Uani 1 1 d . . . . .
N3 N 0.66228(16) 0.87127(12) 0.73309(11) 0.0362(3) Uani 1 1 d . . . . .
Si1 Si 0.59100(6) 0.91948(4) 0.83205(4) 0.04030(11) Uani 1 1 d . . . . .
Si2 Si 0.79440(6) 0.97439(5) 0.67658(4) 0.04638(12) Uani 1 1 d . . . . .
Ge1 Ge 0.64018(2) 0.70747(2) 0.67884(2) 0.03786(7) Uani 1 1 d . . . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
C1 N2 1.335(2) . ?
C1 N1 1.336(2) . ?
C1 C2 1.533(2) . ?
C2 C5 1.528(3) . ?
C2 C4 1.542(3) . ?
C2 C3 1.544(3) . ?
C3 H3A 0.97 . ?
C3 H3B 0.97 . ?
C3 H3C 0.97 . ?
C4 H4A 0.97 . ?
C4 H4B 0.97 . ?
C4 H4C 0.97 . ?
C5 H5A 0.97 . ?
C5 H5B 0.97 . ?
C5 H5C 0.97 . ?
C6 N1 1.461(2) . ?
C6 C8 1.504(3) . ?
C6 C7 1.512(4) . ?
C6 H6 0.99 . ?
C7 H7A 0.97 . ?
C7 H7B 0.97 . ?
C7 H7C 0.97 . ?
C8 H8A 0.97 . ?
C8 H8B 0.97 . ?
C8 H8C 0.97 . ?
C9 N2 1.462(2) . ?
C9 C11 1.515(3) . ?
C9 C10 1.530(3) . ?
C9 H9 0.99 . ?
C10 H10A 0.97 . ?
C10 H10B 0.97 . ?
C10 H10C 0.97 . ?
C11 H11A 0.97 . ?
C11 H11B 0.97 . ?
C11 H11C 0.97 . ?
C12 Si1 1.858(2) . ?
C12 H12A 0.97 . ?
C12 H12B 0.97 . ?
C12 H12C 0.97 . ?
C13 Si1 1.872(2) . ?
C13 H13A 0.97 . ?
C13 H13B 0.97 . ?
C13 H13C 0.97 . ?
C14 Si1 1.869(2) . ?
C14 H14A 0.97 . ?
C14 H14B 0.97 . ?
C14 H14C 0.97 . ?
C15 Si2 1.857(3) . ?
C15 H15A 0.97 . ?
C15 H15B 0.97 . ?
C15 H15C 0.97 . ?
C16 Si2 1.854(3) . ?
C16 H16A 0.97 . ?
C16 H16B 0.97 . ?
C16 H16C 0.97 . ?
C17 Si2 1.859(3) . ?
C17 H17A 0.97 . ?
C17 H17B 0.97 . ?
C17 H17C 0.97 . ?
N1 Ge1 2.0066(15) . ?
N2 Ge1 2.0146(14) . ?
N3 Si1 1.7303(14) . ?
N3 Si2 1.7350(14) . ?
N3 Ge1 1.9086(13) . ?

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
N2 C1 N1 106.79(14) . . ?
N2 C1 C2 129.22(16) . . ?
N1 C1 C2 123.98(15) . . ?
C5 C2 C1 114.70(17) . . ?
C5 C2 C4 107.78(18) . . ?
C1 C2 C4 108.07(15) . . ?
C5 C2 C3 105.90(19) . . ?
C1 C2 C3 108.75(16) . . ?
C4 C2 C3 111.7(2) . . ?
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 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N1 C6 C8 110.09(17) . . ?
N1 C6 C7 109.42(19) . . ?
C8 C6 C7 110.4(2) . . ?
N1 C6 H6 109 . . ?
C8 C6 H6 109 . . ?
C7 C6 H6 109 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N2 C9 C11 107.59(17) . . ?
N2 C9 C10 111.12(17) . . ?
C11 C9 C10 111.6(2) . . ?
N2 C9 H9 108.8 . . ?
C11 C9 H9 108.8 . . ?
C10 C9 H9 108.8 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si1 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 . . ?
Si2 C15 H15A 109.5 . . ?
Si2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si2 C16 H16A 109.5 . . ?
Si2 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si2 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si2 C17 H17A 109.5 . . ?
Si2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C1 N1 C6 132.16(15) . . ?
C1 N1 Ge1 93.02(10) . . ?
C6 N1 Ge1 131.17(13) . . ?
C1 N2 C9 133.10(15) . . ?
C1 N2 Ge1 92.69(10) . . ?
C9 N2 Ge1 127.65(12) . . ?
Si1 N3 Si2 122.02(8) . . ?
Si1 N3 Ge1 129.75(8) . . ?
Si2 N3 Ge1 107.80(7) . . ?
N3 Si1 C12 114.64(8) . . ?
N3 Si1 C14 110.85(10) . . ?
C12 Si1 C14 106.05(13) . . ?
N3 Si1 C13 111.50(10) . . ?
C12 Si1 C13 105.27(12) . . ?
C14 Si1 C13 108.12(13) . . ?
N3 Si2 C16 110.84(12) . . ?
N3 Si2 C15 111.66(11) . . ?
C16 Si2 C15 108.2(2) . . ?
N3 Si2 C17 114.35(11) . . ?
C16 Si2 C17 107.53(18) . . ?
C15 Si2 C17 103.86(17) . . ?
N3 Ge1 N1 105.13(6) . . ?
N3 Ge1 N2 106.80(6) . . ?
N1 Ge1 N2 64.44(6) . . ?

####################################################################### 
# 
# 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_2b
_database_code_depnum_ccdc_archive 'CCDC 1855737'
_audit_update_record             
;
2018-07-13 deposited with the CCDC.
2018-09-25 downloaded from the CCDC.
;

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C21 H41 Fe Ge N3 O4 Si2'
_chemical_formula_sum            'C21 H41 Fe Ge N3 O4 Si2'
_chemical_formula_weight         584.21
_chemical_compound_source        'synthesis as described'

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.2986(10)
_cell_length_b                   12.8496(8)
_cell_length_c                   15.7161(10)
_cell_angle_alpha                90
_cell_angle_beta                 96.027(2)
_cell_angle_gamma                90
_cell_volume                     2871.6(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9670
_cell_measurement_theta_min      3.05
_cell_measurement_theta_max      33.18
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.06
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1224
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    1.664
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_absorpt_correction_T_min  0.6654
_exptl_absorpt_correction_T_max  0.7465

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine focus sealed tube'
_diffrn_radiation_monochromator  triumph
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_radiation_probe          x-ray
_diffrn_reflns_av_R_equivalents  0.044
_diffrn_reflns_av_unetI/netI     0.0182
_diffrn_reflns_number            119176
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.05
_diffrn_reflns_theta_max         32.03
_diffrn_reflns_theta_full        32.03
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_reflns_number_total             9985
_reflns_number_gt                8173
_reflns_threshold_expression     >2sigma(I)

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       APEX2
_computing_cell_refinement       'APEX2 and SAINT'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0275P)²+1.3143P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         9985
_refine_ls_number_parameters     302
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0379
_refine_ls_R_factor_gt           0.0256
_refine_ls_wR_factor_ref         0.0662
_refine_ls_wR_factor_gt          0.06
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.474
_refine_diff_density_min         -0.465
_refine_diff_density_rms         0.061

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.01978(10) 0.01312(12) 0.23151(9) 0.0296(3) Uani 1 1 d . . .
C2 C 0.02896(11) 0.07010(12) 0.38364(9) 0.0320(3) Uani 1 1 d . . .
C3 C 0.18467(11) -0.02938(12) 0.37178(9) 0.0310(3) Uani 1 1 d . . .
C4 C 0.14081(10) 0.19361(11) 0.32077(9) 0.0283(3) Uani 1 1 d . . .
C5 C 0.26967(9) 0.22710(9) 0.15495(8) 0.0215(2) Uani 1 1 d . . .
C6 C 0.30526(11) 0.33783(10) 0.13932(9) 0.0297(3) Uani 1 1 d . . .
C7 C 0.24575(13) 0.39845(12) 0.06892(12) 0.0419(4) Uani 1 1 d . . .
H7A H 0.2436 0.36 0.0149 0.063 Uiso 1 1 calc R . .
H7B H 0.2739 0.4671 0.062 0.063 Uiso 1 1 calc R . .
H7C H 0.1818 0.407 0.0849 0.063 Uiso 1 1 calc R . .
C8 C 0.40508(12) 0.33351(14) 0.11017(12) 0.0428(4) Uani 1 1 d . . .
H8A H 0.403 0.2964 0.0555 0.064 Uiso 1 1 calc R . .
H8B H 0.4473 0.2969 0.1533 0.064 Uiso 1 1 calc R . .
H8C H 0.4282 0.4045 0.1032 0.064 Uiso 1 1 calc R . .
C9 C 0.30431(14) 0.40028(12) 0.22339(11) 0.0427(4) Uani 1 1 d . . .
H9A H 0.3277 0.4708 0.2152 0.064 Uiso 1 1 calc R . .
H9B H 0.3447 0.3657 0.2691 0.064 Uiso 1 1 calc R . .
H9C H 0.2399 0.4039 0.2392 0.064 Uiso 1 1 calc R . .
C10 C 0.10754(9) 0.21700(10) 0.06551(8) 0.0231(2) Uani 1 1 d . . .
H10 H 0.1289 0.266 0.0221 0.028 Uiso 1 1 calc R . .
C11 C 0.06069(10) 0.12367(12) 0.01924(9) 0.0305(3) Uani 1 1 d . . .
H11A H 0.105 0.0905 -0.0159 0.046 Uiso 1 1 calc R . .
H11B H 0.0049 0.1468 -0.0175 0.046 Uiso 1 1 calc R . .
H11C H 0.0419 0.0736 0.0613 0.046 Uiso 1 1 calc R . .
C12 C 0.03844(11) 0.27396(13) 0.11711(10) 0.0351(3) Uani 1 1 d . . .
H12A H 0.0129 0.2251 0.1566 0.053 Uiso 1 1 calc R . .
H12B H -0.013 0.3028 0.0781 0.053 Uiso 1 1 calc R . .
H12C H 0.0712 0.3305 0.1498 0.053 Uiso 1 1 calc R . .
C13 C 0.40427(10) 0.16532(11) 0.26385(10) 0.0305(3) Uani 1 1 d . . .
H13 H 0.4294 0.2376 0.2598 0.037 Uiso 1 1 calc R . .
C14 C 0.47523(11) 0.08997(16) 0.23323(14) 0.0482(4) Uani 1 1 d . . .
H14A H 0.4505 0.0189 0.2345 0.072 Uiso 1 1 calc R . .
H14B H 0.5343 0.0945 0.2708 0.072 Uiso 1 1 calc R . .
H14C H 0.4868 0.1078 0.1746 0.072 Uiso 1 1 calc R . .
C15 C 0.38884(13) 0.14416(19) 0.35640(11) 0.0519(5) Uani 1 1 d . . .
H15A H 0.3423 0.1932 0.3744 0.078 Uiso 1 1 calc R . .
H15B H 0.4483 0.1528 0.3927 0.078 Uiso 1 1 calc R . .
H15C H 0.3659 0.0728 0.3618 0.078 Uiso 1 1 calc R . .
C16 C 0.32155(12) 0.08521(13) -0.00347(10) 0.0358(3) Uani 1 1 d . . .
H16A H 0.2621 0.1225 -0.0168 0.054 Uiso 1 1 calc R . .
H16B H 0.3541 0.0799 -0.0552 0.054 Uiso 1 1 calc R . .
H16C H 0.3612 0.1231 0.0408 0.054 Uiso 1 1 calc R . .
C17 C 0.41760(11) -0.11034(15) 0.04918(13) 0.0430(4) Uani 1 1 d . . .
H17A H 0.4625 -0.063 0.0806 0.064 Uiso 1 1 calc R . .
H17B H 0.4378 -0.1247 -0.0073 0.064 Uiso 1 1 calc R . .
H17C H 0.4149 -0.1756 0.0811 0.064 Uiso 1 1 calc R . .
C18 C 0.22236(13) -0.11256(15) -0.05330(11) 0.0434(4) Uani 1 1 d . . .
H18A H 0.2254 -0.1882 -0.0458 0.065 Uiso 1 1 calc R . .
H18B H 0.2452 -0.0939 -0.1079 0.065 Uiso 1 1 calc R . .
H18C H 0.1571 -0.0892 -0.0531 0.065 Uiso 1 1 calc R . .
C19 C 0.25644(16) -0.28909(13) 0.10302(13) 0.0522(5) Uani 1 1 d . . .
H19A H 0.2027 -0.2903 0.0588 0.078 Uiso 1 1 calc R . .
H19B H 0.26 -0.3554 0.1339 0.078 Uiso 1 1 calc R . .
H19C H 0.3145 -0.2784 0.0761 0.078 Uiso 1 1 calc R . .
C20 C 0.12737(11) -0.21489(12) 0.22034(11) 0.0350(3) Uani 1 1 d . . .
H20A H 0.1174 -0.1703 0.2692 0.053 Uiso 1 1 calc R . .
H20B H 0.1289 -0.2879 0.2384 0.053 Uiso 1 1 calc R . .
H20C H 0.076 -0.2045 0.1748 0.053 Uiso 1 1 calc R . .
C21 C 0.34098(12) -0.19152(14) 0.26655(12) 0.0429(4) Uani 1 1 d . . .
H21A H 0.4008 -0.1888 0.2414 0.064 Uiso 1 1 calc R . .
H21B H 0.3363 -0.2578 0.2967 0.064 Uiso 1 1 calc R . .
H21C H 0.3381 -0.1339 0.307 0.064 Uiso 1 1 calc R . .
N1 N 0.19056(7) 0.18005(8) 0.12083(6) 0.01947(18) Uani 1 1 d . . .
N2 N 0.31527(7) 0.15806(8) 0.20850(7) 0.0226(2) Uani 1 1 d . . .
N3 N 0.24454(7) -0.05503(8) 0.13270(7) 0.02099(19) Uani 1 1 d . . .
O1 O -0.04327(9) -0.01572(12) 0.18632(8) 0.0480(3) Uani 1 1 d . . .
O2 O -0.02652(10) 0.07858(12) 0.43070(9) 0.0521(3) Uani 1 1 d . . .
O3 O 0.22873(11) -0.08471(11) 0.41696(8) 0.0518(3) Uani 1 1 d . . .
O4 O 0.15723(10) 0.27996(9) 0.33371(8) 0.0443(3) Uani 1 1 d . . .
Si1 Si 0.29733(3) -0.04821(3) 0.03619(2) 0.02566(8) Uani 1 1 d . . .
Si2 Si 0.24130(3) -0.18036(3) 0.17980(3) 0.02567(7) Uani 1 1 d . . .
Fe1 Fe 0.111810(13) 0.059180(14) 0.307379(11) 0.02035(4) Uani 1 1 d . . .
Ge1 Ge 0.209669(8) 0.058419(9) 0.196093(8) 0.01694(3) Uani 1 1 d . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
C1 O1 1.1490(18) . ?
C1 Fe1 1.7816(15) . ?
C2 O2 1.1451(19) . ?
C2 Fe1 1.7770(15) . ?
C3 O3 1.1457(18) . ?
C3 Fe1 1.7842(15) . ?
C4 O4 1.1478(17) . ?
C4 Fe1 1.7838(14) . ?
C5 N2 1.3435(16) . ?
C5 N1 1.3436(15) . ?
C5 C6 1.5395(18) . ?
C6 C7 1.535(2) . ?
C6 C8 1.545(2) . ?
C6 C9 1.547(2) . ?
C7 H7A 0.98 . ?
C7 H7B 0.98 . ?
C7 H7C 0.98 . ?
C8 H8A 0.98 . ?
C8 H8B 0.98 . ?
C8 H8C 0.98 . ?
C9 H9A 0.98 . ?
C9 H9B 0.98 . ?
C9 H9C 0.98 . ?
C10 N1 1.4743(15) . ?
C10 C11 1.5211(19) . ?
C10 C12 1.5291(19) . ?
C10 H10 1 . ?
C11 H11A 0.98 . ?
C11 H11B 0.98 . ?
C11 H11C 0.98 . ?
C12 H12A 0.98 . ?
C12 H12B 0.98 . ?
C12 H12C 0.98 . ?
C13 N2 1.4671(16) . ?
C13 C14 1.517(2) . ?
C13 C15 1.518(2) . ?
C13 H13 1 . ?
C14 H14A 0.98 . ?
C14 H14B 0.98 . ?
C14 H14C 0.98 . ?
C15 H15A 0.98 . ?
C15 H15B 0.98 . ?
C15 H15C 0.98 . ?
C16 Si1 1.8689(16) . ?
C16 H16A 0.98 . ?
C16 H16B 0.98 . ?
C16 H16C 0.98 . ?
C17 Si1 1.8875(16) . ?
C17 H17A 0.98 . ?
C17 H17B 0.98 . ?
C17 H17C 0.98 . ?
C18 Si1 1.8693(17) . ?
C18 H18A 0.98 . ?
C18 H18B 0.98 . ?
C18 H18C 0.98 . ?
C19 Si2 1.8734(17) . ?
C19 H19A 0.98 . ?
C19 H19B 0.98 . ?
C19 H19C 0.98 . ?
C20 Si2 1.8640(15) . ?
C20 H20A 0.98 . ?
C20 H20B 0.98 . ?
C20 H20C 0.98 . ?
C21 Si2 1.8716(17) . ?
C21 H21A 0.98 . ?
C21 H21B 0.98 . ?
C21 H21C 0.98 . ?
N1 Ge1 1.9618(10) . ?
N2 Ge1 1.9737(10) . ?
N3 Si1 1.7658(11) . ?
N3 Si2 1.7750(11) . ?
N3 Ge1 1.8631(10) . ?
Fe1 Ge1 2.3518(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
O1 C1 Fe1 175.81(14) . . ?
O2 C2 Fe1 177.71(15) . . ?
O3 C3 Fe1 176.13(14) . . ?
O4 C4 Fe1 176.11(13) . . ?
N2 C5 N1 106.61(10) . . ?
N2 C5 C6 124.29(11) . . ?
N1 C5 C6 129.10(11) . . ?
C7 C6 C5 114.61(12) . . ?
C7 C6 C8 105.30(13) . . ?
C5 C6 C8 110.19(12) . . ?
C7 C6 C9 107.36(13) . . ?
C5 C6 C9 108.08(12) . . ?
C8 C6 C9 111.29(13) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 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 . . ?
N1 C10 C11 108.36(10) . . ?
N1 C10 C12 111.50(11) . . ?
C11 C10 C12 110.75(12) . . ?
N1 C10 H10 108.7 . . ?
C11 C10 H10 108.7 . . ?
C12 C10 H10 108.7 . . ?
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 . . ?
N2 C13 C14 109.80(13) . . ?
N2 C13 C15 110.63(12) . . ?
C14 C13 C15 111.03(15) . . ?
N2 C13 H13 108.4 . . ?
C14 C13 H13 108.4 . . ?
C15 C13 H13 108.4 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1 C16 H16A 109.5 . . ?
Si1 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si1 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si1 C17 H17A 109.5 . . ?
Si1 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si1 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si1 C18 H18A 109.5 . . ?
Si1 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si1 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si2 C19 H19A 109.5 . . ?
Si2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si2 C20 H20A 109.5 . . ?
Si2 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si2 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si2 C21 H21A 109.5 . . ?
Si2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C5 N1 C10 133.04(11) . . ?
C5 N1 Ge1 93.42(7) . . ?
C10 N1 Ge1 131.65(8) . . ?
C5 N2 C13 131.54(11) . . ?
C5 N2 Ge1 92.90(7) . . ?
C13 N2 Ge1 134.97(9) . . ?
Si1 N3 Si2 115.82(6) . . ?
Si1 N3 Ge1 125.66(6) . . ?
Si2 N3 Ge1 117.82(6) . . ?
N3 Si1 C16 116.29(6) . . ?
N3 Si1 C18 111.17(7) . . ?
C16 Si1 C18 105.46(8) . . ?
N3 Si1 C17 110.66(7) . . ?
C16 Si1 C17 103.03(8) . . ?
C18 Si1 C17 109.77(9) . . ?
N3 Si2 C20 114.87(6) . . ?
N3 Si2 C21 108.79(7) . . ?
C20 Si2 C21 111.02(8) . . ?
N3 Si2 C19 113.46(7) . . ?
C20 Si2 C19 101.94(8) . . ?
C21 Si2 C19 106.34(10) . . ?
C2 Fe1 C1 88.84(7) . . ?
C2 Fe1 C4 90.41(7) . . ?
C1 Fe1 C4 123.15(7) . . ?
C2 Fe1 C3 93.36(7) . . ?
C1 Fe1 C3 120.94(7) . . ?
C4 Fe1 C3 115.85(7) . . ?
C2 Fe1 Ge1 173.10(5) . . ?
C1 Fe1 Ge1 87.49(5) . . ?
C4 Fe1 Ge1 86.71(4) . . ?
C3 Fe1 Ge1 93.54(5) . . ?
N3 Ge1 N1 109.21(5) . . ?
N3 Ge1 N2 108.39(5) . . ?
N1 Ge1 N2 66.39(4) . . ?
N3 Ge1 Fe1 127.92(3) . . ?
N1 Ge1 Fe1 112.90(3) . . ?
N2 Ge1 Fe1 115.63(3) . . ?

