#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:29:40 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179248 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/68/4316850.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_4316850
loop_
_publ_author_name
'S. M. Ibrahim Al-Rafia'
'Paul A. Lummis'
'Michael J. Ferguson'
'Robert McDonald'
'Eric Rivard'
_publ_contact_author_address
;
Department of Chemistry
University of Alberta
Edmonton
AB T6G 2G2
CANADA
;
_publ_contact_author_email       ERIVARD@UALBERTA.CA
_publ_contact_author_name        'E. Rivard'
_publ_section_title
;
 Low-Coordinate Germylene and Stannylene Heterocycles featuring Sterically
 Tunable Bis(amido)silyl Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9709
_journal_page_last               9717
_journal_paper_doi               10.1021/ic101485a
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C30 H50 N2 Si'
_chemical_formula_sum            'C30 H50 N2 Si'
_chemical_formula_weight         466.81
_chemical_name_common            'compound 1'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           152
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   10.2694(3)
_cell_length_b                   10.2694(3)
_cell_length_c                   46.7860(14)
_cell_measurement_reflns_used    5457
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      21.15
_cell_measurement_theta_min      2.29
_cell_volume                     4273.0(2)
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0201
_diffrn_reflns_av_sigmaI/netI    0.0124
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       60
_diffrn_reflns_limit_l_min       -60
_diffrn_reflns_number            38035
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    0.102
_exptl_absorpt_correction_T_max  0.9579
_exptl_absorpt_correction_T_min  0.9546
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.088
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1548
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.43
_refine_diff_density_max         0.282
_refine_diff_density_min         -0.268
_refine_diff_density_rms         0.036
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.05(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         6589
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.130
_refine_ls_R_factor_all          0.0342
_refine_ls_R_factor_gt           0.0331
_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)+(0.0452P)²+0.8744P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0886
_refine_ls_wR_factor_ref         0.0894
_reflns_number_gt                6421
_reflns_number_total             6589
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic101485a_si_001_01.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4316850
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+1/3'
'-x+y, -x, z-1/3'
'x-y, -y, -z-1/3'
'-x, -x+y, -z+1/3'
'y, x, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
SiA Si 0.57558(4) 0.0000 0.3333 0.01800(10) Uani 1 2 d S . .
N1A N 0.56697(12) 0.16471(12) 0.33144(2) 0.0195(2) Uani 1 1 d . . .
H1NA H 0.5663 0.2024 0.3483 0.023 Uiso 1 1 calc R . .
C1A C 0.66075(15) -0.02233(15) 0.29919(3) 0.0250(3) Uani 1 1 d . . .
H1A H 0.5805 -0.0567 0.2843 0.030 Uiso 1 1 calc R . .
C2A C 0.70697(19) -0.14241(18) 0.30076(3) 0.0372(3) Uani 1 1 d . . .
H2AA H 0.7504 -0.1474 0.2824 0.045 Uiso 1 1 calc R . .
H2BA H 0.6184 -0.2402 0.3049 0.045 Uiso 1 1 calc R . .
H2CA H 0.7817 -0.1165 0.3159 0.045 Uiso 1 1 calc R . .
C3A C 0.7943(2) 0.12475(18) 0.28804(4) 0.0444(4) Uani 1 1 d . . .
H3AA H 0.8327 0.1046 0.2704 0.053 Uiso 1 1 calc R . .
H3BA H 0.8740 0.1661 0.3025 0.053 Uiso 1 1 calc R . .
H3CA H 0.7611 0.1974 0.2841 0.053 Uiso 1 1 calc R . .
C11A C 0.56078(14) 0.25127(14) 0.30810(3) 0.0194(2) Uani 1 1 d . . .
C12A C 0.67852(15) 0.40278(14) 0.30520(3) 0.0215(2) Uani 1 1 d . . .
C13A C 0.67412(16) 0.48799(15) 0.28250(3) 0.0276(3) Uani 1 1 d . . .
H13A H 0.7516 0.5898 0.2806 0.033 Uiso 1 1 calc R . .
C14A C 0.55907(17) 0.42737(17) 0.26254(3) 0.0318(3) Uani 1 1 d . . .
H14A H 0.5591 0.4863 0.2469 0.038 Uiso 1 1 calc R . .
C15A C 0.44443(17) 0.28050(16) 0.26561(3) 0.0286(3) Uani 1 1 d . . .
H15A H 0.3663 0.2390 0.2518 0.034 Uiso 1 1 calc R . .
C16A C 0.44033(15) 0.19119(14) 0.28858(3) 0.0220(3) Uani 1 1 d . . .
C17A C 0.80804(15) 0.47087(15) 0.32643(3) 0.0257(3) Uani 1 1 d . . .
H17A H 0.8320 0.3907 0.3316 0.031 Uiso 1 1 calc R . .
C18A C 0.95174(17) 0.60367(18) 0.31450(3) 0.0376(3) Uani 1 1 d . . .
H18A H 0.9796 0.5736 0.2967 0.045 Uiso 1 1 calc R . .
H18B H 1.0332 0.6348 0.3284 0.045 Uiso 1 1 calc R . .
H18C H 0.9346 0.6877 0.3107 0.045 Uiso 1 1 calc R . .
C19A C 0.76464(19) 0.52000(19) 0.35401(3) 0.0384(4) Uani 1 1 d . . .
H19A H 0.6721 0.4357 0.3617 0.046 Uiso 1 1 calc R . .
H19B H 0.7482 0.6043 0.3499 0.046 Uiso 1 1 calc R . .
H19C H 0.8458 0.5514 0.3680 0.046 Uiso 1 1 calc R . .
C20A C 0.30061(15) 0.03656(15) 0.29197(3) 0.0248(3) Uani 1 1 d . . .
H20A H 0.3114 -0.0087 0.3101 0.030 Uiso 1 1 calc R . .
C21A C 0.28159(19) -0.06989(18) 0.26753(3) 0.0365(3) Uani 1 1 d . . .
H21A H 0.3715 -0.0797 0.2662 0.044 Uiso 1 1 calc R . .
H21B H 0.2675 -0.0295 0.2495 0.044 Uiso 1 1 calc R . .
H21C H 0.1935 -0.1688 0.2712 0.044 Uiso 1 1 calc R . .
C22A C 0.15957(17) 0.05124(17) 0.29460(4) 0.0343(3) Uani 1 1 d . . .
H22A H 0.1718 0.1179 0.3106 0.041 Uiso 1 1 calc R . .
H22B H 0.0717 -0.0482 0.2980 0.041 Uiso 1 1 calc R . .
H22C H 0.1452 0.0933 0.2769 0.041 Uiso 1 1 calc R . .
SiB Si 0.27934(5) 0.27934(5) 0.5000 0.01772(10) Uani 1 2 d S . .
N1B N 0.28506(12) 0.45147(12) 0.50190(2) 0.0206(2) Uani 1 1 d . . .
H1NB H 0.2846 0.4898 0.4851 0.025 Uiso 1 1 calc R . .
C1B C 0.17934(15) 0.18678(15) 0.46567(3) 0.0245(3) Uani 1 1 d . . .
H1B H 0.2571 0.2302 0.4503 0.029 Uiso 1 1 calc R . .
C2B C 0.0508(2) 0.2122(2) 0.45609(4) 0.0410(4) Uani 1 1 d . . .
H2AB H 0.0092 0.1596 0.4380 0.049 Uiso 1 1 calc R . .
H2BB H 0.0893 0.3201 0.4535 0.049 Uiso 1 1 calc R . .
H2CB H -0.0282 0.1731 0.4707 0.049 Uiso 1 1 calc R . .
C3B C 0.12563(18) 0.01766(16) 0.46648(3) 0.0337(3) Uani 1 1 d . . .
H3AB H 0.0745 -0.0290 0.4485 0.040 Uiso 1 1 calc R . .
H3BB H 0.0557 -0.0291 0.4825 0.040 Uiso 1 1 calc R . .
H3CB H 0.2124 0.0033 0.4690 0.040 Uiso 1 1 calc R . .
C11B C 0.29033(15) 0.54242(14) 0.52540(3) 0.0199(2) Uani 1 1 d . . .
C12B C 0.17194(15) 0.57430(14) 0.52881(3) 0.0229(3) Uani 1 1 d . . .
C13B C 0.18031(17) 0.66962(16) 0.55076(3) 0.0295(3) Uani 1 1 d . . .
H13B H 0.1027 0.6938 0.5527 0.035 Uiso 1 1 calc R . .
C14B C 0.29954(17) 0.72986(17) 0.56976(3) 0.0322(3) Uani 1 1 d . . .
H14B H 0.3033 0.7941 0.5847 0.039 Uiso 1 1 calc R . .
C15B C 0.41274(16) 0.69601(16) 0.56678(3) 0.0290(3) Uani 1 1 d . . .
H15B H 0.4931 0.7357 0.5802 0.035 Uiso 1 1 calc R . .
C16B C 0.41260(14) 0.60489(14) 0.54460(3) 0.0221(3) Uani 1 1 d . . .
C17B C 0.03854(16) 0.50969(16) 0.50840(3) 0.0282(3) Uani 1 1 d . . .
H17B H 0.0227 0.4106 0.5015 0.034 Uiso 1 1 calc R . .
C18B C -0.10762(18) 0.4809(2) 0.52259(4) 0.0445(4) Uani 1 1 d . . .
H18D H -0.1277 0.4165 0.5394 0.053 Uiso 1 1 calc R . .
H18E H -0.1908 0.4309 0.5090 0.053 Uiso 1 1 calc R . .
H18F H -0.0981 0.5769 0.5285 0.053 Uiso 1 1 calc R . .
C19B C 0.0701(2) 0.6094(2) 0.48222(3) 0.0417(4) Uani 1 1 d . . .
H19D H 0.1637 0.6273 0.4732 0.050 Uiso 1 1 calc R . .
H19E H 0.0801 0.7056 0.4881 0.050 Uiso 1 1 calc R . .
H19F H -0.0131 0.5594 0.4686 0.050 Uiso 1 1 calc R . .
C20B C 0.54903(15) 0.58450(16) 0.54172(3) 0.0252(3) Uani 1 1 d . . .
H20B H 0.5372 0.5270 0.5237 0.030 Uiso 1 1 calc R . .
C21B C 0.56082(18) 0.4942(2) 0.56671(4) 0.0405(4) Uani 1 1 d . . .
H21D H 0.6491 0.4825 0.5640 0.049 Uiso 1 1 calc R . .
H21E H 0.4700 0.3948 0.5674 0.049 Uiso 1 1 calc R . .
H21F H 0.5709 0.5475 0.5847 0.049 Uiso 1 1 calc R . .
C22B C 0.69381(17) 0.73679(18) 0.53922(4) 0.0361(3) Uani 1 1 d . . .
H22D H 0.6862 0.7920 0.5228 0.043 Uiso 1 1 calc R . .
H22E H 0.7794 0.7208 0.5365 0.043 Uiso 1 1 calc R . .
H22F H 0.7084 0.7950 0.5567 0.043 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'
Si Si 0.0817 0.0704 '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
N1A SiA N1A 115.04(8) . 4_556 ?
N1A SiA C1A 109.06(5) . . ?
N1A SiA C1A 103.64(5) 4_556 . ?
N1A SiA C1A 103.64(5) . 4_556 ?
N1A SiA C1A 109.06(5) 4_556 4_556 ?
C1A SiA C1A 116.86(9) . 4_556 ?
C11A N1A SiA 133.10(8) . . ?
C2A C1A C3A 108.96(12) . . ?
C2A C1A SiA 113.98(10) . . ?
C3A C1A SiA 114.03(10) . . ?
C16A C11A C12A 119.87(11) . . ?
C16A C11A N1A 121.70(11) . . ?
C12A C11A N1A 118.41(11) . . ?
C13A C12A C11A 118.95(12) . . ?
C13A C12A C17A 120.35(12) . . ?
C11A C12A C17A 120.70(11) . . ?
C14A C13A C12A 121.36(13) . . ?
C15A C14A C13A 119.39(13) . . ?
C14A C15A C16A 121.69(13) . . ?
C15A C16A C11A 118.62(12) . . ?
C15A C16A C20A 117.78(12) . . ?
C11A C16A C20A 123.51(11) . . ?
C12A C17A C18A 113.81(12) . . ?
C12A C17A C19A 111.73(12) . . ?
C18A C17A C19A 108.91(12) . . ?
C16A C20A C21A 112.64(12) . . ?
C16A C20A C22A 110.42(12) . . ?
C21A C20A C22A 109.99(12) . . ?
N1B SiB N1B 116.74(8) . 6_556 ?
N1B SiB C1B 106.76(5) . . ?
N1B SiB C1B 105.14(6) 6_556 . ?
N1B SiB C1B 105.14(6) . 6_556 ?
N1B SiB C1B 106.76(5) 6_556 6_556 ?
C1B SiB C1B 116.82(9) . 6_556 ?
C11B N1B SiB 132.46(8) . . ?
C2B C1B C3B 110.24(13) . . ?
C2B C1B SiB 117.42(10) . . ?
C3B C1B SiB 110.20(10) . . ?
C16B C11B C12B 119.63(12) . . ?
C16B C11B N1B 121.51(11) . . ?
C12B C11B N1B 118.83(11) . . ?
C13B C12B C11B 119.16(13) . . ?
C13B C12B C17B 119.66(12) . . ?
C11B C12B C17B 121.15(11) . . ?
C14B C13B C12B 121.21(13) . . ?
C15B C14B C13B 119.49(13) . . ?
C14B C15B C16B 121.75(13) . . ?
C15B C16B C11B 118.71(12) . . ?
C15B C16B C20B 117.72(12) . . ?
C11B C16B C20B 123.51(11) . . ?
C12B C17B C19B 111.62(12) . . ?
C12B C17B C18B 113.22(12) . . ?
C19B C17B C18B 109.71(12) . . ?
C16B C20B C22B 110.89(12) . . ?
C16B C20B C21B 111.83(12) . . ?
C22B C20B C21B 110.24(12) . . ?
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
SiA N1A 1.7397(11) . ?
SiA N1A 1.7397(11) 4_556 ?
SiA C1A 1.8896(13) . ?
SiA C1A 1.8896(13) 4_556 ?
N1A C11A 1.4293(15) . ?
C1A C2A 1.5287(19) . ?
C1A C3A 1.537(2) . ?
C11A C16A 1.4076(18) . ?
C11A C12A 1.4213(18) . ?
C12A C13A 1.3911(18) . ?
C12A C17A 1.5214(18) . ?
C13A C14A 1.385(2) . ?
C14A C15A 1.381(2) . ?
C15A C16A 1.4000(18) . ?
C16A C20A 1.5254(18) . ?
C17A C18A 1.5286(19) . ?
C17A C19A 1.531(2) . ?
C20A C21A 1.5254(19) . ?
C20A C22A 1.534(2) . ?
SiB N1B 1.7413(11) . ?
SiB N1B 1.7413(11) 6_556 ?
SiB C1B 1.8873(13) . ?
SiB C1B 1.8873(13) 6_556 ?
N1B C11B 1.4260(16) . ?
C1B C2B 1.535(2) . ?
C1B C3B 1.5375(19) . ?
C11B C16B 1.4107(18) . ?
C11B C12B 1.4174(18) . ?
C12B C13B 1.3915(19) . ?
C12B C17B 1.5231(19) . ?
C13B C14B 1.384(2) . ?
C14B C15B 1.377(2) . ?
C15B C16B 1.3966(19) . ?
C16B C20B 1.5226(18) . ?
C17B C19B 1.524(2) . ?
C17B C18B 1.529(2) . ?
C20B C22B 1.531(2) . ?
C20B C21B 1.534(2) . ?
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
N1A SiA N1A C11A -91.07(12) 4_556 . . . ?
C1A SiA N1A C11A 24.82(14) . . . . ?
C1A SiA N1A C11A 149.97(12) 4_556 . . . ?
N1A SiA C1A C2A 166.97(10) . . . . ?
N1A SiA C1A C2A -70.03(12) 4_556 . . . ?
C1A SiA C1A C2A 49.93(10) 4_556 . . . ?
N1A SiA C1A C3A 40.98(13) . . . . ?
N1A SiA C1A C3A 163.98(12) 4_556 . . . ?
C1A SiA C1A C3A -76.06(11) 4_556 . . . ?
SiA N1A C11A C16A 62.01(17) . . . . ?
SiA N1A C11A C12A -119.40(12) . . . . ?
C16A C11A C12A C13A -1.67(18) . . . . ?
N1A C11A C12A C13A 179.72(11) . . . . ?
C16A C11A C12A C17A 178.71(12) . . . . ?
N1A C11A C12A C17A 0.09(17) . . . . ?
C11A C12A C13A C14A -1.1(2) . . . . ?
C17A C12A C13A C14A 178.54(13) . . . . ?
C12A C13A C14A C15A 1.6(2) . . . . ?
C13A C14A C15A C16A 0.7(2) . . . . ?
C14A C15A C16A C11A -3.4(2) . . . . ?
C14A C15A C16A C20A 173.31(14) . . . . ?
C12A C11A C16A C15A 3.82(19) . . . . ?
N1A C11A C16A C15A -177.61(12) . . . . ?
C12A C11A C16A C20A -172.66(12) . . . . ?
N1A C11A C16A C20A 5.91(19) . . . . ?
C13A C12A C17A C18A -23.60(18) . . . . ?
C11A C12A C17A C18A 156.02(13) . . . . ?
C13A C12A C17A C19A 100.27(15) . . . . ?
C11A C12A C17A C19A -80.11(15) . . . . ?
C15A C16A C20A C21A 65.82(17) . . . . ?
C11A C16A C20A C21A -117.67(14) . . . . ?
C15A C16A C20A C22A -57.57(17) . . . . ?
C11A C16A C20A C22A 118.93(14) . . . . ?
N1B SiB N1B C11B -90.69(12) 6_556 . . . ?
C1B SiB N1B C11B 152.11(12) . . . . ?
C1B SiB N1B C11B 27.39(14) 6_556 . . . ?
N1B SiB C1B C2B -35.13(13) . . . . ?
N1B SiB C1B C2B -159.76(12) 6_556 . . . ?
C1B SiB C1B C2B 82.11(12) 6_556 . . . ?
N1B SiB C1B C3B -162.45(10) . . . . ?
N1B SiB C1B C3B 72.93(11) 6_556 . . . ?
C1B SiB C1B C3B -45.20(8) 6_556 . . . ?
SiB N1B C11B C16B 62.73(18) . . . . ?
SiB N1B C11B C12B -119.39(13) . . . . ?
C16B C11B C12B C13B 1.40(19) . . . . ?
N1B C11B C12B C13B -176.52(12) . . . . ?
C16B C11B C12B C17B 179.64(12) . . . . ?
N1B C11B C12B C17B 1.71(19) . . . . ?
C11B C12B C13B C14B -2.0(2) . . . . ?
C17B C12B C13B C14B 179.74(13) . . . . ?
C12B C13B C14B C15B 0.6(2) . . . . ?
C13B C14B C15B C16B 1.5(2) . . . . ?
C14B C15B C16B C11B -2.1(2) . . . . ?
C14B C15B C16B C20B 175.12(13) . . . . ?
C12B C11B C16B C15B 0.58(18) . . . . ?
N1B C11B C16B C15B 178.45(12) . . . . ?
C12B C11B C16B C20B -176.44(12) . . . . ?
N1B C11B C16B C20B 1.43(19) . . . . ?
C13B C12B C17B C19B 91.46(16) . . . . ?
C11B C12B C17B C19B -86.77(15) . . . . ?
C13B C12B C17B C18B -32.93(18) . . . . ?
C11B C12B C17B C18B 148.84(14) . . . . ?
C15B C16B C20B C22B -55.49(17) . . . . ?
C11B C16B C20B C22B 121.55(14) . . . . ?
C15B C16B C20B C21B 68.00(16) . . . . ?
C11B C16B C20B C21B -114.96(15) . . . . ?
