#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:07:40 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180169 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/65/7106534.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_7106534
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 H38 Cl2 Ge N2 O5 W'
_chemical_formula_sum            'C33 H38 Cl2 Ge N2 O5 W'
_chemical_formula_weight         869.99
_chemical_name_common            3
_chemical_name_systematic
;
?
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.2684(11)
_cell_length_b                   11.1671(5)
_cell_length_c                   13.2380(6)
_cell_measurement_reflns_used    9918
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.65
_cell_measurement_theta_min      2.28
_cell_volume                     3587.6(3)
_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    'SIR-97 (Altomare et al, 1999)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0163
_diffrn_reflns_av_sigmaI/netI    0.0142
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            31057
_diffrn_reflns_theta_full        27.70
_diffrn_reflns_theta_max         27.70
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    4.230
_exptl_absorpt_correction_T_max  0.7284
_exptl_absorpt_correction_T_min  0.4059
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1720
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.136
_refine_diff_density_min         -0.670
_refine_diff_density_rms         0.071
_refine_ls_abs_structure_details
'Flack H D (1983), Acta Cryst. A39, 876-881. 3983 Friedel pairs.'
_refine_ls_abs_structure_Flack   0.442(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.150
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     398
_refine_ls_number_reflns         8358
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.150
_refine_ls_R_factor_all          0.0211
_refine_ls_R_factor_gt           0.0203
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0233P)²+2.5957P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0498
_refine_ls_wR_factor_ref         0.0501
_reflns_number_gt                8171
_reflns_number_total             8358
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c1cc11737h.txt
_cod_data_source_block           riv1095
_cod_database_code               7106534
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'
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 0.048804(4) 0.357452(9) 0.575028(14) 0.02759(4) Uani 1 1 d . . .
Ge Ge 0.137970(12) 0.33340(3) 0.67925(2) 0.02351(6) Uani 1 1 d . . .
Cl1 Cl 0.14828(4) 0.41884(8) 0.82986(7) 0.03895(18) Uani 1 1 d . . .
Cl2 Cl 0.21289(4) 0.40705(9) 0.60019(7) 0.0457(2) Uani 1 1 d . . .
O1 O -0.05576(11) 0.3766(3) 0.4350(2) 0.0428(6) Uani 1 1 d . . .
O2 O 0.10102(13) 0.5981(2) 0.4895(3) 0.0555(8) Uani 1 1 d . . .
O3 O 0.11028(14) 0.2188(3) 0.3993(3) 0.0681(10) Uani 1 1 d . . .
O4 O 0.01021(15) 0.1069(3) 0.6618(3) 0.0725(11) Uani 1 1 d . . .
O5 O -0.01206(16) 0.5006(5) 0.7510(3) 0.0854(13) Uani 1 1 d . . .
N1 N 0.24678(10) 0.1660(2) 0.8351(2) 0.0230(5) Uani 1 1 d . . .
N2 N 0.16862(10) 0.0921(2) 0.88534(19) 0.0230(5) Uani 1 1 d . . .
C1 C -0.01791(14) 0.3706(3) 0.4870(3) 0.0296(7) Uani 1 1 d . . .
C2 C 0.08131(14) 0.5121(3) 0.5211(3) 0.0354(7) Uani 1 1 d . . .
C3 C 0.08835(14) 0.2688(3) 0.4630(3) 0.0389(8) Uani 1 1 d . . .
C4 C 0.02319(16) 0.1971(4) 0.6315(3) 0.0428(9) Uani 1 1 d . . .
C5 C 0.01013(16) 0.4484(4) 0.6885(3) 0.0500(10) Uani 1 1 d . . .
C6 C 0.16985(13) 0.1660(3) 0.7070(2) 0.0270(6) Uani 1 1 d . . .
H6A H 0.1399 0.1071 0.6968 0.032 Uiso 1 1 calc R . .
H6B H 0.1982 0.1498 0.6549 0.032 Uiso 1 1 calc R . .
C7 C 0.19466(12) 0.1420(2) 0.8057(2) 0.0221(6) Uani 1 1 d . . .
C8 C 0.25396(14) 0.1293(3) 0.9348(2) 0.0279(6) Uani 1 1 d . . .
H8 H 0.2870 0.1349 0.9731 0.033 Uiso 1 1 calc R . .
C9 C 0.20540(13) 0.0843(3) 0.9672(2) 0.0286(6) Uani 1 1 d . . .
H9 H 0.1976 0.0535 1.0325 0.034 Uiso 1 1 calc R . .
C11 C 0.29173(12) 0.2055(3) 0.7693(2) 0.0266(6) Uani 1 1 d . . .
C12 C 0.31364(15) 0.3202(4) 0.7825(3) 0.0338(8) Uani 1 1 d . . .
C13 C 0.35588(17) 0.3531(4) 0.7161(4) 0.0471(10) Uani 1 1 d . . .
H13 H 0.3725 0.4297 0.7225 0.056 Uiso 1 1 calc R . .
C14 C 0.37376(16) 0.2762(4) 0.6420(3) 0.0507(10) Uani 1 1 d . . .
H14 H 0.4013 0.3019 0.5959 0.061 Uiso 1 1 calc R . .
C15 C 0.35266(17) 0.1645(4) 0.6338(3) 0.0472(10) Uani 1 1 d . . .
H15 H 0.3663 0.1126 0.5827 0.057 Uiso 1 1 calc R . .
C16 C 0.31165(13) 0.1241(3) 0.6979(3) 0.0344(7) Uani 1 1 d . . .
C17 C 0.29634(16) 0.4034(3) 0.8663(3) 0.0360(7) Uani 1 1 d . . .
H17 H 0.2614 0.3718 0.8963 0.043 Uiso 1 1 calc R . .
C18 C 0.3410(2) 0.4053(4) 0.9502(3) 0.0517(10) Uani 1 1 d . . .
H18A H 0.3482 0.3233 0.9731 0.077 Uiso 1 1 calc R . .
H18B H 0.3279 0.4535 1.0072 0.077 Uiso 1 1 calc R . .
H18C H 0.3750 0.4402 0.9233 0.077 Uiso 1 1 calc R . .
C19 C 0.28579(18) 0.5313(3) 0.8299(4) 0.0513(10) Uani 1 1 d . . .
H19A H 0.2578 0.5304 0.7766 0.077 Uiso 1 1 calc R . .
H19B H 0.3201 0.5652 0.8032 0.077 Uiso 1 1 calc R . .
H19C H 0.2728 0.5802 0.8866 0.077 Uiso 1 1 calc R . .
C20 C 0.29330(15) -0.0061(3) 0.6964(3) 0.0402(8) Uani 1 1 d . . .
H20 H 0.2538 -0.0091 0.7179 0.048 Uiso 1 1 calc R . .
C21 C 0.2977(2) -0.0641(5) 0.5917(4) 0.0666(14) Uani 1 1 d . . .
H21A H 0.2844 -0.1469 0.5952 0.100 Uiso 1 1 calc R . .
H21B H 0.3362 -0.0635 0.5696 0.100 Uiso 1 1 calc R . .
H21C H 0.2752 -0.0189 0.5435 0.100 Uiso 1 1 calc R . .
C22 C 0.3272(2) -0.0792(4) 0.7720(4) 0.0524(10) Uani 1 1 d . . .
H22A H 0.3214 -0.0475 0.8403 0.079 Uiso 1 1 calc R . .
H22B H 0.3663 -0.0738 0.7546 0.079 Uiso 1 1 calc R . .
H22C H 0.3154 -0.1631 0.7697 0.079 Uiso 1 1 calc R . .
C31 C 0.11299(13) 0.0434(3) 0.8851(2) 0.0278(6) Uani 1 1 d . . .
C32 C 0.10297(15) -0.0649(3) 0.8340(3) 0.0348(7) Uani 1 1 d . . .
C33 C 0.04855(18) -0.1044(4) 0.8329(3) 0.0489(10) Uani 1 1 d . . .
H33 H 0.0398 -0.1761 0.7978 0.059 Uiso 1 1 calc R . .
C34 C 0.00744(18) -0.0436(4) 0.8806(3) 0.0534(11) Uani 1 1 d . . .
H34 H -0.0294 -0.0716 0.8761 0.064 Uiso 1 1 calc R . .
C35 C 0.01900(16) 0.0579(4) 0.9353(3) 0.0451(9) Uani 1 1 d . . .
H35 H -0.0098 0.0964 0.9715 0.054 Uiso 1 1 calc R . .
C36 C 0.07204(14) 0.1054(3) 0.9390(3) 0.0334(7) Uani 1 1 d . . .
C37 C 0.1488(2) -0.1380(3) 0.7859(3) 0.0451(10) Uani 1 1 d . . .
H37 H 0.1750 -0.0810 0.7531 0.054 Uiso 1 1 calc R . .
C38 C 0.1804(2) -0.2072(4) 0.8664(4) 0.0539(12) Uani 1 1 d . . .
H38A H 0.1942 -0.1514 0.9176 0.081 Uiso 1 1 calc R . .
H38B H 0.2115 -0.2490 0.8350 0.081 Uiso 1 1 calc R . .
H38C H 0.1559 -0.2658 0.8983 0.081 Uiso 1 1 calc R . .
C39 C 0.1280(2) -0.2262(4) 0.7036(4) 0.0652(13) Uani 1 1 d . . .
H39A H 0.1074 -0.1819 0.6521 0.098 Uiso 1 1 calc R . .
H39B H 0.1040 -0.2864 0.7346 0.098 Uiso 1 1 calc R . .
H39C H 0.1596 -0.2661 0.6720 0.098 Uiso 1 1 calc R . .
C40 C 0.08342(16) 0.2129(3) 1.0046(3) 0.0370(8) Uani 1 1 d . . .
H40 H 0.1204 0.2456 0.9863 0.044 Uiso 1 1 calc R . .
C41 C 0.0848(2) 0.1745(4) 1.1163(3) 0.0572(12) Uani 1 1 d . . .
H41A H 0.1136 0.1140 1.1260 0.086 Uiso 1 1 calc R . .
H41B H 0.0490 0.1409 1.1353 0.086 Uiso 1 1 calc R . .
H41C H 0.0928 0.2443 1.1587 0.086 Uiso 1 1 calc R . .
C42 C 0.04057(19) 0.3125(4) 0.9907(5) 0.0612(13) Uani 1 1 d . . .
H42A H 0.0490 0.3790 1.0365 0.092 Uiso 1 1 calc R . .
H42B H 0.0038 0.2811 1.0060 0.092 Uiso 1 1 calc R . .
H42C H 0.0415 0.3410 0.9207 0.092 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'
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'
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 C3 89.59(15) . . ?
C1 W C2 92.70(13) . . ?
C3 W C2 88.52(14) . . ?
C1 W C4 91.79(14) . . ?
C3 W C4 89.05(16) . . ?
C2 W C4 174.88(15) . . ?
C1 W C5 91.16(14) . . ?
C3 W C5 179.02(16) . . ?
C2 W C5 90.82(17) . . ?
C4 W C5 91.56(18) . . ?
C1 W Ge 176.33(10) . . ?
C3 W Ge 86.74(11) . . ?
C2 W Ge 87.18(10) . . ?
C4 W Ge 88.18(10) . . ?
C5 W Ge 92.52(11) . . ?
C6 Ge Cl1 100.81(9) . . ?
C6 Ge Cl2 96.38(9) . . ?
Cl1 Ge Cl2 99.73(4) . . ?
C6 Ge W 120.37(9) . . ?
Cl1 Ge W 121.94(3) . . ?
Cl2 Ge W 112.98(3) . . ?
C7 N1 C8 109.4(3) . . ?
C7 N1 C11 125.9(3) . . ?
C8 N1 C11 124.0(3) . . ?
C7 N2 C9 109.3(2) . . ?
C7 N2 C31 125.9(3) . . ?
C9 N2 C31 124.5(2) . . ?
O1 C1 W 178.6(3) . . ?
O2 C2 W 178.1(3) . . ?
O3 C3 W 179.4(4) . . ?
O4 C4 W 178.2(4) . . ?
O5 C5 W 178.8(4) . . ?
C7 C6 Ge 118.7(2) . . ?
N2 C7 N1 107.2(3) . . ?
N2 C7 C6 125.5(3) . . ?
N1 C7 C6 127.3(3) . . ?
C9 C8 N1 107.5(3) . . ?
C8 C9 N2 106.6(3) . . ?
C12 C11 C16 123.3(3) . . ?
C12 C11 N1 119.1(3) . . ?
C16 C11 N1 117.6(3) . . ?
C11 C12 C13 116.2(4) . . ?
C11 C12 C17 123.4(3) . . ?
C13 C12 C17 120.3(4) . . ?
C14 C13 C12 121.1(4) . . ?
C15 C14 C13 120.9(4) . . ?
C14 C15 C16 121.6(4) . . ?
C15 C16 C11 116.8(4) . . ?
C15 C16 C20 121.0(3) . . ?
C11 C16 C20 122.0(3) . . ?
C12 C17 C19 113.0(3) . . ?
C12 C17 C18 110.0(3) . . ?
C19 C17 C18 109.2(3) . . ?
C16 C20 C22 110.1(3) . . ?
C16 C20 C21 113.3(4) . . ?
C22 C20 C21 109.2(3) . . ?
C36 C31 C32 123.1(3) . . ?
C36 C31 N2 118.1(3) . . ?
C32 C31 N2 118.8(3) . . ?
C33 C32 C31 116.1(3) . . ?
C33 C32 C37 121.3(4) . . ?
C31 C32 C37 122.5(3) . . ?
C34 C33 C32 122.2(4) . . ?
C33 C34 C35 120.4(4) . . ?
C34 C35 C36 121.4(4) . . ?
C35 C36 C31 116.6(3) . . ?
C35 C36 C40 119.5(3) . . ?
C31 C36 C40 123.7(3) . . ?
C32 C37 C38 110.4(3) . . ?
C32 C37 C39 113.4(4) . . ?
C38 C37 C39 109.4(4) . . ?
C36 C40 C42 112.6(4) . . ?
C36 C40 C41 109.7(3) . . ?
C42 C40 C41 109.4(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 2.000(3) . ?
W C3 2.025(4) . ?
W C2 2.029(4) . ?
W C4 2.038(4) . ?
W C5 2.042(4) . ?
W Ge 2.5803(3) . ?
Ge C6 2.056(3) . ?
Ge Cl1 2.2245(10) . ?
Ge Cl2 2.2534(9) . ?
O1 C1 1.149(4) . ?
O2 C2 1.151(5) . ?
O3 C3 1.144(5) . ?
O4 C4 1.129(5) . ?
O5 C5 1.147(5) . ?
N1 C7 1.350(4) . ?
N1 C8 1.393(4) . ?
N1 C11 1.464(4) . ?
N2 C7 1.350(4) . ?
N2 C9 1.406(4) . ?
N2 C31 1.456(4) . ?
C6 C7 1.463(4) . ?
C8 C9 1.351(4) . ?
C11 C12 1.398(5) . ?
C11 C16 1.398(5) . ?
C12 C13 1.398(5) . ?
C12 C17 1.507(6) . ?
C13 C14 1.374(6) . ?
C14 C15 1.353(6) . ?
C15 C16 1.384(5) . ?
C16 C20 1.520(5) . ?
C17 C19 1.529(5) . ?
C17 C18 1.552(5) . ?
C20 C22 1.532(6) . ?
C20 C21 1.533(5) . ?
C31 C36 1.406(5) . ?
C31 C32 1.408(5) . ?
C32 C33 1.392(5) . ?
C32 C37 1.519(6) . ?
C33 C34 1.362(6) . ?
C34 C35 1.374(6) . ?
C35 C36 1.393(5) . ?
C36 C40 1.507(5) . ?
C37 C38 1.524(7) . ?
C37 C39 1.553(6) . ?
C40 C42 1.534(5) . ?
C40 C41 1.540(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 -57.9(14) . . . . ?
C3 W Ge C6 -57.45(14) . . . . ?
C2 W Ge C6 -146.13(15) . . . . ?
C4 W Ge C6 31.70(16) . . . . ?
C5 W Ge C6 123.18(17) . . . . ?
C1 W Ge Cl1 173.7(14) . . . . ?
C3 W Ge Cl1 174.12(10) . . . . ?
C2 W Ge Cl1 85.45(11) . . . . ?
C4 W Ge Cl1 -96.73(13) . . . . ?
C5 W Ge Cl1 -5.25(14) . . . . ?
C1 W Ge Cl2 54.9(14) . . . . ?
C3 W Ge Cl2 55.40(10) . . . . ?
C2 W Ge Cl2 -33.27(11) . . . . ?
C4 W Ge Cl2 144.55(13) . . . . ?
C5 W Ge Cl2 -123.97(14) . . . . ?
C3 W C1 O1 10(14) . . . . ?
C2 W C1 O1 99(14) . . . . ?
C4 W C1 O1 -79(14) . . . . ?
C5 W C1 O1 -170(14) . . . . ?
Ge W C1 O1 11(15) . . . . ?
C1 W C2 O2 -120(11) . . . . ?
C3 W C2 O2 -31(11) . . . . ?
C4 W C2 O2 31(12) . . . . ?
C5 W C2 O2 149(11) . . . . ?
Ge W C2 O2 56(11) . . . . ?
C1 W C3 O3 1(38) . . . . ?
C2 W C3 O3 -92(38) . . . . ?
C4 W C3 O3 92(38) . . . . ?
C5 W C3 O3 -139(36) . . . . ?
Ge W C3 O3 -179(100) . . . . ?
C1 W C4 O4 120(12) . . . . ?
C3 W C4 O4 31(12) . . . . ?
C2 W C4 O4 -31(13) . . . . ?
C5 W C4 O4 -149(12) . . . . ?
Ge W C4 O4 -56(12) . . . . ?
C1 W C5 O5 -33(24) . . . . ?
C3 W C5 O5 107(23) . . . . ?
C2 W C5 O5 59(24) . . . . ?
C4 W C5 O5 -125(24) . . . . ?
Ge W C5 O5 147(24) . . . . ?
Cl1 Ge C6 C7 -4.9(2) . . . . ?
Cl2 Ge C6 C7 96.3(2) . . . . ?
W Ge C6 C7 -142.3(2) . . . . ?
C9 N2 C7 N1 -0.1(3) . . . . ?
C31 N2 C7 N1 -174.8(3) . . . . ?
C9 N2 C7 C6 -179.4(3) . . . . ?
C31 N2 C7 C6 5.9(5) . . . . ?
C8 N1 C7 N2 0.7(3) . . . . ?
C11 N1 C7 N2 171.3(3) . . . . ?
C8 N1 C7 C6 180.0(3) . . . . ?
C11 N1 C7 C6 -9.4(5) . . . . ?
Ge C6 C7 N2 94.8(3) . . . . ?
Ge C6 C7 N1 -84.4(3) . . . . ?
C7 N1 C8 C9 -1.0(4) . . . . ?
C11 N1 C8 C9 -171.9(3) . . . . ?
N1 C8 C9 N2 1.0(4) . . . . ?
C7 N2 C9 C8 -0.6(3) . . . . ?
C31 N2 C9 C8 174.2(3) . . . . ?
C7 N1 C11 C12 114.1(3) . . . . ?
C8 N1 C11 C12 -76.6(4) . . . . ?
C7 N1 C11 C16 -67.8(4) . . . . ?
C8 N1 C11 C16 101.6(4) . . . . ?
C16 C11 C12 C13 2.9(5) . . . . ?
N1 C11 C12 C13 -179.1(3) . . . . ?
C16 C11 C12 C17 -173.4(3) . . . . ?
N1 C11 C12 C17 4.7(5) . . . . ?
C11 C12 C13 C14 0.8(6) . . . . ?
C17 C12 C13 C14 177.2(4) . . . . ?
C12 C13 C14 C15 -2.9(7) . . . . ?
C13 C14 C15 C16 1.4(7) . . . . ?
C14 C15 C16 C11 2.2(6) . . . . ?
C14 C15 C16 C20 -172.4(4) . . . . ?
C12 C11 C16 C15 -4.4(5) . . . . ?
N1 C11 C16 C15 177.6(3) . . . . ?
C12 C11 C16 C20 170.1(3) . . . . ?
N1 C11 C16 C20 -8.0(5) . . . . ?
C11 C12 C17 C19 -134.5(4) . . . . ?
C13 C12 C17 C19 49.4(5) . . . . ?
C11 C12 C17 C18 103.2(4) . . . . ?
C13 C12 C17 C18 -72.9(5) . . . . ?
C15 C16 C20 C22 90.9(4) . . . . ?
C11 C16 C20 C22 -83.4(4) . . . . ?
C15 C16 C20 C21 -31.8(5) . . . . ?
C11 C16 C20 C21 154.0(4) . . . . ?
C7 N2 C31 C36 -110.3(4) . . . . ?
C9 N2 C31 C36 75.8(4) . . . . ?
C7 N2 C31 C32 71.6(4) . . . . ?
C9 N2 C31 C32 -102.3(4) . . . . ?
C36 C31 C32 C33 4.6(5) . . . . ?
N2 C31 C32 C33 -177.4(3) . . . . ?
C36 C31 C32 C37 -173.1(3) . . . . ?
N2 C31 C32 C37 4.9(5) . . . . ?
C31 C32 C33 C34 -1.6(6) . . . . ?
C37 C32 C33 C34 176.1(4) . . . . ?
C32 C33 C34 C35 -2.5(7) . . . . ?
C33 C34 C35 C36 3.8(6) . . . . ?
C34 C35 C36 C31 -0.9(5) . . . . ?
C34 C35 C36 C40 -176.6(4) . . . . ?
C32 C31 C36 C35 -3.4(5) . . . . ?
N2 C31 C36 C35 178.6(3) . . . . ?
C32 C31 C36 C40 172.1(3) . . . . ?
N2 C31 C36 C40 -5.8(5) . . . . ?
C33 C32 C37 C38 -100.3(5) . . . . ?
C31 C32 C37 C38 77.2(4) . . . . ?
C33 C32 C37 C39 22.9(5) . . . . ?
C31 C32 C37 C39 -159.6(3) . . . . ?
C35 C36 C40 C42 -47.5(5) . . . . ?
C31 C36 C40 C42 137.1(4) . . . . ?
C35 C36 C40 C41 74.5(5) . . . . ?
C31 C36 C40 C41 -100.9(4) . . . . ?
