#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/65/7106536.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7106536
loop_
_publ_author_name
'S.M. Ibrahim Al-Rafia'
'Adam Malcolm'
'Sean Liew'
'Michael Ferguson'
'Robert McDonald'
'Eri Rivard'
_publ_section_title
;
 Intercepting low oxidation state main group hydrides with a nucleophilic
 N-hetereocyclic olefin
;
_journal_name_full               'Chem. Commun.'
_journal_page_first              6987
_journal_paper_doi               10.1039/c1cc11737h
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         'C33 H40 Ge N2 O5 W, 0.5(C4 H10 O)'
_chemical_formula_sum            'C35 H45 Ge N2 O5.5 W'
_chemical_formula_weight         838.17
_chemical_name_common            5
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.6360(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   34.3772(15)
_cell_length_b                   10.0524(5)
_cell_length_c                   21.8558(10)
_cell_measurement_reflns_used    9217
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.61
_cell_measurement_theta_min      2.27
_cell_volume                     7423.0(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0191
_diffrn_reflns_av_sigmaI/netI    0.0155
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            32963
_diffrn_reflns_theta_full        26.40
_diffrn_reflns_theta_max         27.69
_diffrn_reflns_theta_min         1.21
_exptl_absorpt_coefficient_mu    3.948
_exptl_absorpt_correction_T_max  0.6751
_exptl_absorpt_correction_T_min  0.5193
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3352
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.253
_refine_diff_density_min         -0.473
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     410
_refine_ls_number_reflns         8636
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0234
_refine_ls_R_factor_gt           0.0196
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0231P)²+11.2718P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0465
_refine_ls_wR_factor_ref         0.0491
_reflns_number_gt                7859
_reflns_number_total             8636
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c1cc11737h.txt
_cod_data_source_block           riv1112
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C35 H45 Ge N2 O5.50 W'
_cod_database_code               7106536
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
W W 0.124016(2) 0.303296(9) 0.364732(4) 0.02831(3) Uani 1 1 d . . .
Ge Ge 0.161032(7) 0.37322(2) 0.273516(11) 0.03092(5) Uani 1 1 d . . .
H1A H 0.2031(9) 0.341(3) 0.2830(15) 0.064(9) Uiso 1 1 d . . .
H1B H 0.1607(9) 0.515(3) 0.2514(14) 0.061(9) Uiso 1 1 d . . .
O1 O 0.07851(6) 0.2005(2) 0.46718(9) 0.0507(5) Uani 1 1 d . . .
O2 O 0.04805(6) 0.3026(2) 0.25672(9) 0.0533(5) Uani 1 1 d . . .
O3 O 0.11041(7) 0.6045(2) 0.39987(10) 0.0642(6) Uani 1 1 d . . .
O4 O 0.20640(6) 0.3206(2) 0.45715(10) 0.0587(6) Uani 1 1 d . . .
O5 O 0.13977(6) 0.0068(2) 0.32646(11) 0.0625(6) Uani 1 1 d . . .
N1 N 0.11268(5) 0.45641(19) 0.10838(8) 0.0315(4) Uani 1 1 d . . .
N2 N 0.17072(6) 0.3783(2) 0.10380(8) 0.0331(4) Uani 1 1 d . . .
C1 C 0.09515(7) 0.2389(3) 0.42976(11) 0.0374(5) Uani 1 1 d . . .
C2 C 0.07472(7) 0.3046(2) 0.29675(11) 0.0356(5) Uani 1 1 d . . .
C3 C 0.11509(8) 0.4962(3) 0.38618(12) 0.0415(6) Uani 1 1 d . . .
C4 C 0.17684(8) 0.3117(2) 0.42378(11) 0.0376(5) Uani 1 1 d . . .
C5 C 0.13437(7) 0.1137(3) 0.34054(12) 0.0377(5) Uani 1 1 d . . .
C6 C 0.13844(7) 0.2859(2) 0.18934(10) 0.0308(4) Uani 1 1 d . . .
H6A H 0.1531 0.2025 0.1856 0.037 Uiso 1 1 calc R . .
H6B H 0.1104 0.2621 0.1887 0.037 Uiso 1 1 calc R . .
C7 C 0.14057(6) 0.3703(2) 0.13552(10) 0.0290(4) Uani 1 1 d . . .
C8 C 0.12534(7) 0.5189(3) 0.05889(11) 0.0405(6) Uani 1 1 d . . .
H8 H 0.1112 0.5838 0.0320 0.049 Uiso 1 1 calc R . .
C9 C 0.16109(7) 0.4707(3) 0.05611(11) 0.0411(6) Uani 1 1 d . . .
H9 H 0.1771 0.4951 0.0268 0.049 Uiso 1 1 calc R . .
C11 C 0.07366(6) 0.4748(2) 0.12437(10) 0.0332(5) Uani 1 1 d . . .
C12 C 0.06738(7) 0.5858(2) 0.15983(11) 0.0367(5) Uani 1 1 d . . .
C13 C 0.02962(8) 0.5996(3) 0.17430(13) 0.0461(6) Uani 1 1 d . . .
H13 H 0.0242 0.6730 0.1988 0.055 Uiso 1 1 calc R . .
C14 C 0.00037(8) 0.5093(3) 0.15389(15) 0.0532(7) Uani 1 1 d . . .
H14 H -0.0250 0.5202 0.1648 0.064 Uiso 1 1 calc R . .
C15 C 0.00719(8) 0.4029(3) 0.11780(14) 0.0501(7) Uani 1 1 d . . .
H15 H -0.0137 0.3420 0.1037 0.060 Uiso 1 1 calc R . .
C16 C 0.04435(7) 0.3823(3) 0.10139(12) 0.0398(5) Uani 1 1 d . . .
C17 C 0.09824(9) 0.6915(3) 0.18039(14) 0.0464(6) Uani 1 1 d . . .
H17 H 0.1244 0.6577 0.1731 0.056 Uiso 1 1 calc R . .
C18 C 0.08749(12) 0.8164(3) 0.1404(2) 0.0757(11) Uani 1 1 d . . .
H18A H 0.0848 0.7931 0.0963 0.091 Uiso 1 1 calc R . .
H18B H 0.1084 0.8831 0.1512 0.091 Uiso 1 1 calc R . .
H18C H 0.0624 0.8528 0.1482 0.091 Uiso 1 1 calc R . .
C19 C 0.10210(11) 0.7244(4) 0.24924(17) 0.0725(10) Uani 1 1 d . . .
H19A H 0.1095 0.6441 0.2740 0.087 Uiso 1 1 calc R . .
H19B H 0.0767 0.7580 0.2572 0.087 Uiso 1 1 calc R . .
H19C H 0.1225 0.7925 0.2607 0.087 Uiso 1 1 calc R . .
C20 C 0.05067(9) 0.2712(3) 0.05779(14) 0.0523(7) Uani 1 1 d . . .
H20 H 0.0797 0.2644 0.0580 0.063 Uiso 1 1 calc R . .
C21 C 0.03023(17) 0.3057(4) -0.00796(18) 0.1042(17) Uani 1 1 d . . .
H21A H 0.0342 0.2333 -0.0362 0.125 Uiso 1 1 calc R . .
H21B H 0.0415 0.3881 -0.0212 0.125 Uiso 1 1 calc R . .
H21C H 0.0018 0.3179 -0.0089 0.125 Uiso 1 1 calc R . .
C22 C 0.03668(13) 0.1375(4) 0.0773(2) 0.0823(11) Uani 1 1 d . . .
H22A H 0.0503 0.1167 0.1196 0.099 Uiso 1 1 calc R . .
H22B H 0.0426 0.0686 0.0486 0.099 Uiso 1 1 calc R . .
H22C H 0.0081 0.1407 0.0762 0.099 Uiso 1 1 calc R . .
C31 C 0.20716(7) 0.3020(2) 0.11504(11) 0.0344(5) Uani 1 1 d . . .
C32 C 0.24107(7) 0.3619(3) 0.14908(11) 0.0370(5) Uani 1 1 d . . .
C33 C 0.27621(8) 0.2896(3) 0.15549(14) 0.0486(7) Uani 1 1 d . . .
H33 H 0.2999 0.3269 0.1782 0.058 Uiso 1 1 calc R . .
C34 C 0.27711(9) 0.1651(3) 0.12951(15) 0.0557(8) Uani 1 1 d . . .
H34 H 0.3014 0.1178 0.1345 0.067 Uiso 1 1 calc R . .
C35 C 0.24342(9) 0.1087(3) 0.09665(14) 0.0521(7) Uani 1 1 d . . .
H35 H 0.2447 0.0227 0.0792 0.062 Uiso 1 1 calc R . .
C36 C 0.20726(8) 0.1751(3) 0.08829(13) 0.0442(6) Uani 1 1 d . . .
C37 C 0.24061(8) 0.5015(3) 0.17565(13) 0.0438(6) Uani 1 1 d . . .
H37 H 0.2130 0.5216 0.1811 0.053 Uiso 1 1 calc R . .
C38 C 0.25214(9) 0.6035(3) 0.12953(15) 0.0548(7) Uani 1 1 d . . .
H38A H 0.2521 0.6931 0.1472 0.066 Uiso 1 1 calc R . .
H38B H 0.2331 0.5995 0.0903 0.066 Uiso 1 1 calc R . .
H38C H 0.2787 0.5829 0.1217 0.066 Uiso 1 1 calc R . .
C39 C 0.26797(9) 0.5174(3) 0.23901(14) 0.0570(8) Uani 1 1 d . . .
H39A H 0.2605 0.4532 0.2685 0.068 Uiso 1 1 calc R . .
H39B H 0.2655 0.6079 0.2546 0.068 Uiso 1 1 calc R . .
H39C H 0.2954 0.5014 0.2345 0.068 Uiso 1 1 calc R . .
C40 C 0.17042(10) 0.1116(4) 0.05070(15) 0.0634(9) Uani 1 1 d . . .
H40 H 0.1468 0.1592 0.0608 0.076 Uiso 1 1 calc R . .
C41 C 0.16676(16) -0.0350(5) 0.0664(2) 0.1144(19) Uani 1 1 d . . .
H41A H 0.1696 -0.0454 0.1116 0.137 Uiso 1 1 calc R . .
H41B H 0.1876 -0.0857 0.0517 0.137 Uiso 1 1 calc R . .
H41C H 0.1408 -0.0682 0.0461 0.137 Uiso 1 1 calc R . .
C42 C 0.16961(15) 0.1257(5) -0.01876(18) 0.0974(14) Uani 1 1 d . . .
H42A H 0.1716 0.2200 -0.0292 0.117 Uiso 1 1 calc R . .
H42B H 0.1448 0.0892 -0.0419 0.117 Uiso 1 1 calc R . .
H42C H 0.1920 0.0771 -0.0300 0.117 Uiso 1 1 calc R . .
O1S O 0.0000 0.9129(3) 0.2500 0.0623(8) Uani 1 2 d S . .
C1S C 0.02165(18) 0.9868(4) 0.2988(2) 0.1048(16) Uani 1 1 d . . .
H1SA H 0.0043 1.0570 0.3107 0.126 Uiso 1 1 calc R . .
H1SB H 0.0437 1.0315 0.2835 0.126 Uiso 1 1 calc R . .
C2S C 0.03756(12) 0.9119(4) 0.35259(19) 0.0801(11) Uani 1 1 d . . .
H2SA H 0.0522 0.9711 0.3844 0.096 Uiso 1 1 calc R . .
H2SB H 0.0555 0.8438 0.3417 0.096 Uiso 1 1 calc R . .
H2SC H 0.0160 0.8689 0.3689 0.096 Uiso 1 1 calc R . .
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'
O O 0.0106 0.0060 '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'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 W C4 93.74(10) . . ?
C1 W C5 90.88(10) . . ?
C4 W C5 91.46(10) . . ?
C1 W C3 91.68(11) . . ?
C4 W C3 88.22(10) . . ?
C5 W C3 177.44(10) . . ?
C1 W C2 93.77(9) . . ?
C4 W C2 172.49(9) . . ?
C5 W C2 88.76(10) . . ?
C3 W C2 91.23(10) . . ?
C1 W Ge 175.89(7) . . ?
C4 W Ge 88.27(7) . . ?
C5 W Ge 85.49(7) . . ?
C3 W Ge 91.97(7) . . ?
C2 W Ge 84.26(6) . . ?
C6 Ge W 113.90(6) . . ?
C7 N1 C8 109.52(19) . . ?
C7 N1 C11 125.99(18) . . ?
C8 N1 C11 124.32(19) . . ?
C7 N2 C9 108.98(19) . . ?
C7 N2 C31 126.99(19) . . ?
C9 N2 C31 124.01(19) . . ?
O1 C1 W 179.4(2) . . ?
O2 C2 W 176.8(2) . . ?
O3 C3 W 178.2(2) . . ?
O4 C4 W 177.9(2) . . ?
O5 C5 W 179.2(3) . . ?
C7 C6 Ge 113.88(15) . . ?
N1 C7 N2 106.69(18) . . ?
N1 C7 C6 126.17(19) . . ?
N2 C7 C6 127.1(2) . . ?
C9 C8 N1 107.2(2) . . ?
C8 C9 N2 107.6(2) . . ?
C16 C11 C12 123.8(2) . . ?
C16 C11 N1 117.7(2) . . ?
C12 C11 N1 118.4(2) . . ?
C11 C12 C13 116.7(2) . . ?
C11 C12 C17 123.7(2) . . ?
C13 C12 C17 119.6(2) . . ?
C14 C13 C12 121.2(3) . . ?
C13 C14 C15 120.7(3) . . ?
C14 C15 C16 121.4(3) . . ?
C11 C16 C15 116.2(3) . . ?
C11 C16 C20 122.8(2) . . ?
C15 C16 C20 120.9(2) . . ?
C12 C17 C19 112.1(3) . . ?
C12 C17 C18 108.9(3) . . ?
C19 C17 C18 110.6(3) . . ?
C16 C20 C22 112.9(3) . . ?
C16 C20 C21 109.4(3) . . ?
C22 C20 C21 110.7(3) . . ?
C32 C31 C36 123.2(2) . . ?
C32 C31 N2 118.1(2) . . ?
C36 C31 N2 118.6(2) . . ?
C33 C32 C31 116.8(2) . . ?
C33 C32 C37 120.8(2) . . ?
C31 C32 C37 122.3(2) . . ?
C34 C33 C32 121.1(3) . . ?
C35 C34 C33 120.8(3) . . ?
C34 C35 C36 121.3(3) . . ?
C35 C36 C31 116.8(3) . . ?
C35 C36 C40 120.3(3) . . ?
C31 C36 C40 122.8(3) . . ?
C32 C37 C39 113.2(2) . . ?
C32 C37 C38 110.0(2) . . ?
C39 C37 C38 109.4(2) . . ?
C36 C40 C42 111.2(3) . . ?
C36 C40 C41 112.3(3) . . ?
C42 C40 C41 109.2(3) . . ?
C1S O1S C1S 115.7(5) . 2 ?
O1S C1S C2S 114.9(4) . . ?
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
W C1 1.986(3) . ?
W C4 2.026(3) . ?
W C5 2.027(3) . ?
W C3 2.032(3) . ?
W C2 2.037(3) . ?
W Ge 2.6503(3) . ?
Ge C6 2.057(2) . ?
O1 C1 1.148(3) . ?
O2 C2 1.145(3) . ?
O3 C3 1.148(3) . ?
O4 C4 1.140(3) . ?
O5 C5 1.142(3) . ?
N1 C7 1.345(3) . ?
N1 C8 1.388(3) . ?
N1 C11 1.459(3) . ?
N2 C7 1.352(3) . ?
N2 C9 1.390(3) . ?
N2 C31 1.451(3) . ?
C6 C7 1.463(3) . ?
C8 C9 1.333(4) . ?
C11 C16 1.394(3) . ?
C11 C12 1.398(3) . ?
C12 C13 1.399(3) . ?
C12 C17 1.510(4) . ?
C13 C14 1.367(4) . ?
C14 C15 1.375(4) . ?
C15 C16 1.404(4) . ?
C16 C20 1.510(4) . ?
C17 C19 1.522(4) . ?
C17 C18 1.536(4) . ?
C20 C22 1.515(5) . ?
C20 C21 1.519(5) . ?
C31 C32 1.398(3) . ?
C31 C36 1.404(3) . ?
C32 C33 1.395(4) . ?
C32 C37 1.520(4) . ?
C33 C34 1.377(4) . ?
C34 C35 1.368(4) . ?
C35 C36 1.393(4) . ?
C36 C40 1.517(4) . ?
C37 C39 1.532(4) . ?
C37 C38 1.540(4) . ?
C40 C42 1.520(5) . ?
C40 C41 1.524(6) . ?
O1S C1S 1.396(5) . ?
O1S C1S 1.396(5) 2 ?
C1S C2S 1.419(6) . ?
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
C1 W Ge C6 25.4(10) . . . . ?
C4 W Ge C6 144.71(10) . . . . ?
C5 W Ge C6 53.11(10) . . . . ?
C3 W Ge C6 -127.13(10) . . . . ?
C2 W Ge C6 -36.09(10) . . . . ?
C4 W C1 O1 -94(20) . . . . ?
C5 W C1 O1 -3(20) . . . . ?
C3 W C1 O1 177(100) . . . . ?
C2 W C1 O1 86(20) . . . . ?
Ge W C1 O1 25(20) . . . . ?
C1 W C2 O2 -136(4) . . . . ?
C4 W C2 O2 47(4) . . . . ?
C5 W C2 O2 -45(4) . . . . ?
C3 W C2 O2 133(4) . . . . ?
Ge W C2 O2 41(4) . . . . ?
C1 W C3 O3 51(8) . . . . ?
C4 W C3 O3 -43(8) . . . . ?
C5 W C3 O3 -126(8) . . . . ?
C2 W C3 O3 144(8) . . . . ?
Ge W C3 O3 -131(8) . . . . ?
C1 W C4 O4 -101(6) . . . . ?
C5 W C4 O4 168(6) . . . . ?
C3 W C4 O4 -9(6) . . . . ?
C2 W C4 O4 77(6) . . . . ?
Ge W C4 O4 83(6) . . . . ?
C1 W C5 O5 84(21) . . . . ?
C4 W C5 O5 177(100) . . . . ?
C3 W C5 O5 -100(22) . . . . ?
C2 W C5 O5 -10(21) . . . . ?
Ge W C5 O5 -94(21) . . . . ?
W Ge C6 C7 146.45(14) . . . . ?
C8 N1 C7 N2 0.2(3) . . . . ?
C11 N1 C7 N2 175.5(2) . . . . ?
C8 N1 C7 C6 179.7(2) . . . . ?
C11 N1 C7 C6 -5.0(4) . . . . ?
C9 N2 C7 N1 -0.2(3) . . . . ?
C31 N2 C7 N1 -178.6(2) . . . . ?
C9 N2 C7 C6 -179.7(2) . . . . ?
C31 N2 C7 C6 1.9(4) . . . . ?
Ge C6 C7 N1 -90.1(2) . . . . ?
Ge C6 C7 N2 89.2(3) . . . . ?
C7 N1 C8 C9 -0.1(3) . . . . ?
C11 N1 C8 C9 -175.5(2) . . . . ?
N1 C8 C9 N2 0.0(3) . . . . ?
C7 N2 C9 C8 0.1(3) . . . . ?
C31 N2 C9 C8 178.6(2) . . . . ?
C7 N1 C11 C16 -79.2(3) . . . . ?
C8 N1 C11 C16 95.4(3) . . . . ?
C7 N1 C11 C12 103.0(3) . . . . ?
C8 N1 C11 C12 -82.5(3) . . . . ?
C16 C11 C12 C13 2.5(3) . . . . ?
N1 C11 C12 C13 -179.8(2) . . . . ?
C16 C11 C12 C17 -175.0(2) . . . . ?
N1 C11 C12 C17 2.7(3) . . . . ?
C11 C12 C13 C14 -0.8(4) . . . . ?
C17 C12 C13 C14 176.8(2) . . . . ?
C12 C13 C14 C15 -0.8(4) . . . . ?
C13 C14 C15 C16 0.8(4) . . . . ?
C12 C11 C16 C15 -2.4(3) . . . . ?
N1 C11 C16 C15 179.9(2) . . . . ?
C12 C11 C16 C20 173.6(2) . . . . ?
N1 C11 C16 C20 -4.1(3) . . . . ?
C14 C15 C16 C11 0.7(4) . . . . ?
C14 C15 C16 C20 -175.4(3) . . . . ?
C11 C12 C17 C19 -132.3(3) . . . . ?
C13 C12 C17 C19 50.2(3) . . . . ?
C11 C12 C17 C18 105.0(3) . . . . ?
C13 C12 C17 C18 -72.5(3) . . . . ?
C11 C16 C20 C22 132.7(3) . . . . ?
C15 C16 C20 C22 -51.5(4) . . . . ?
C11 C16 C20 C21 -103.6(4) . . . . ?
C15 C16 C20 C21 72.2(4) . . . . ?
C7 N2 C31 C32 -99.1(3) . . . . ?
C9 N2 C31 C32 82.7(3) . . . . ?
C7 N2 C31 C36 84.5(3) . . . . ?
C9 N2 C31 C36 -93.6(3) . . . . ?
C36 C31 C32 C33 0.4(4) . . . . ?
N2 C31 C32 C33 -175.7(2) . . . . ?
C36 C31 C32 C37 177.7(2) . . . . ?
N2 C31 C32 C37 1.5(3) . . . . ?
C31 C32 C33 C34 -0.2(4) . . . . ?
C37 C32 C33 C34 -177.5(3) . . . . ?
C32 C33 C34 C35 0.0(5) . . . . ?
C33 C34 C35 C36 0.1(5) . . . . ?
C34 C35 C36 C31 0.1(4) . . . . ?
C34 C35 C36 C40 178.9(3) . . . . ?
C32 C31 C36 C35 -0.4(4) . . . . ?
N2 C31 C36 C35 175.8(2) . . . . ?
C32 C31 C36 C40 -179.2(3) . . . . ?
N2 C31 C36 C40 -3.0(4) . . . . ?
C33 C32 C37 C39 -38.9(3) . . . . ?
C31 C32 C37 C39 143.9(2) . . . . ?
C33 C32 C37 C38 83.9(3) . . . . ?
C31 C32 C37 C38 -93.3(3) . . . . ?
C35 C36 C40 C42 -78.9(4) . . . . ?
C31 C36 C40 C42 99.9(4) . . . . ?
C35 C36 C40 C41 43.8(4) . . . . ?
C31 C36 C40 C41 -137.4(3) . . . . ?
C1S O1S C1S C2S 169.1(6) 2 . . . ?
