#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:29:40 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179248 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/68/4316854.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_4316854
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 H48 N2 Si Sn'
_chemical_formula_sum            'C30 H48 N2 Si Sn'
_chemical_formula_weight         583.48
_chemical_name_common            'Compound 4'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 110.7814(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.6257(7)
_cell_length_b                   11.2475(4)
_cell_length_c                   17.6079(7)
_cell_measurement_reflns_used    9753
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.23
_cell_volume                     3078.4(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    'DIRDIF-2008 (Beurskens et al., 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  0.0116
_diffrn_reflns_av_sigmaI/netI    0.0100
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            26638
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         2.19
_exptl_absorpt_coefficient_mu    0.888
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.7078
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.39
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.437
_refine_diff_density_min         -0.392
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         7080
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.0218
_refine_ls_R_factor_gt           0.0208
_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)+(0.0246P)²+1.8687P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0568
_refine_ls_wR_factor_ref         0.0574
_reflns_number_gt                6777
_reflns_number_total             7080
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic101485a_si_001_05.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4316854
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'
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
Sn Sn 0.251931(7) 0.142027(10) 0.335591(6) 0.02690(4) Uani 1 1 d . . .
Si Si 0.23406(2) 0.01269(3) 0.19076(2) 0.02050(8) Uani 1 1 d . . .
N1 N 0.30758(8) 0.00815(11) 0.29015(7) 0.0225(2) Uani 1 1 d . . .
N2 N 0.17879(8) 0.13140(10) 0.21355(7) 0.0211(2) Uani 1 1 d . . .
C1 C 0.16168(10) -0.12172(14) 0.16050(10) 0.0278(3) Uani 1 1 d . . .
H1 H 0.1423 -0.1382 0.2071 0.033 Uiso 1 1 calc R . .
C2 C 0.20555(13) -0.23598(15) 0.14758(12) 0.0396(4) Uani 1 1 d . . .
H2A H 0.1638 -0.3012 0.1335 0.048 Uiso 1 1 calc R . .
H2B H 0.2534 -0.2557 0.1976 0.048 Uiso 1 1 calc R . .
H2C H 0.2275 -0.2240 0.1033 0.048 Uiso 1 1 calc R . .
C3 C 0.07905(11) -0.10031(17) 0.08621(11) 0.0372(4) Uani 1 1 d . . .
H3A H 0.0438 -0.1726 0.0746 0.045 Uiso 1 1 calc R . .
H3B H 0.0945 -0.0801 0.0390 0.045 Uiso 1 1 calc R . .
H3C H 0.0464 -0.0347 0.0978 0.045 Uiso 1 1 calc R . .
C4 C 0.28699(10) 0.04696(15) 0.11404(9) 0.0282(3) Uani 1 1 d . . .
H4 H 0.3157 0.1259 0.1300 0.034 Uiso 1 1 calc R . .
C5 C 0.35876(12) -0.04132(18) 0.11669(12) 0.0404(4) Uani 1 1 d . . .
H5A H 0.3842 -0.0180 0.0765 0.048 Uiso 1 1 calc R . .
H5B H 0.3345 -0.1215 0.1042 0.048 Uiso 1 1 calc R . .
H5C H 0.4032 -0.0407 0.1710 0.048 Uiso 1 1 calc R . .
C6 C 0.22391(13) 0.06139(19) 0.02619(10) 0.0425(4) Uani 1 1 d . . .
H6A H 0.2560 0.0806 -0.0093 0.051 Uiso 1 1 calc R . .
H6B H 0.1833 0.1257 0.0239 0.051 Uiso 1 1 calc R . .
H6C H 0.1922 -0.0130 0.0081 0.051 Uiso 1 1 calc R . .
C11 C 0.38835(9) -0.04612(13) 0.33323(8) 0.0224(3) Uani 1 1 d . . .
C12 C 0.39169(9) -0.15468(13) 0.37469(9) 0.0239(3) Uani 1 1 d . . .
C13 C 0.47177(10) -0.20315(16) 0.41933(10) 0.0313(3) Uani 1 1 d . . .
H13 H 0.4744 -0.2762 0.4472 0.038 Uiso 1 1 calc R . .
C14 C 0.54738(11) -0.14725(17) 0.42387(12) 0.0387(4) Uani 1 1 d . . .
H14 H 0.6013 -0.1819 0.4543 0.046 Uiso 1 1 calc R . .
C15 C 0.54406(10) -0.04127(18) 0.38415(11) 0.0364(4) Uani 1 1 d . . .
H15 H 0.5962 -0.0031 0.3877 0.044 Uiso 1 1 calc R . .
C16 C 0.46566(10) 0.01180(15) 0.33862(9) 0.0285(3) Uani 1 1 d . . .
C17 C 0.31031(10) -0.21402(14) 0.37604(9) 0.0275(3) Uani 1 1 d . . .
H17 H 0.2619 -0.1883 0.3262 0.033 Uiso 1 1 calc R . .
C18 C 0.29027(11) -0.17101(19) 0.44998(11) 0.0374(4) Uani 1 1 d . . .
H18A H 0.2377 -0.2097 0.4506 0.045 Uiso 1 1 calc R . .
H18B H 0.2820 -0.0846 0.4469 0.045 Uiso 1 1 calc R . .
H18C H 0.3383 -0.1912 0.4998 0.045 Uiso 1 1 calc R . .
C19 C 0.31413(14) -0.34990(16) 0.37531(14) 0.0434(4) Uani 1 1 d . . .
H19A H 0.3258 -0.3765 0.3272 0.052 Uiso 1 1 calc R . .
H19B H 0.2589 -0.3826 0.3738 0.052 Uiso 1 1 calc R . .
H19C H 0.3601 -0.3777 0.4244 0.052 Uiso 1 1 calc R . .
C20 C 0.46520(11) 0.13210(16) 0.29930(11) 0.0355(4) Uani 1 1 d . . .
H20 H 0.4093 0.1394 0.2529 0.043 Uiso 1 1 calc R . .
C21 C 0.46947(13) 0.23370(18) 0.35817(13) 0.0453(4) Uani 1 1 d . . .
H21A H 0.4233 0.2243 0.3802 0.054 Uiso 1 1 calc R . .
H21B H 0.4625 0.3097 0.3294 0.054 Uiso 1 1 calc R . .
H21C H 0.5253 0.2322 0.4027 0.054 Uiso 1 1 calc R . .
C22 C 0.53742(16) 0.1472(2) 0.26491(15) 0.0564(6) Uani 1 1 d . . .
H22A H 0.5347 0.0824 0.2269 0.068 Uiso 1 1 calc R . .
H22B H 0.5932 0.1455 0.3095 0.068 Uiso 1 1 calc R . .
H22C H 0.5305 0.2235 0.2364 0.068 Uiso 1 1 calc R . .
C31 C 0.10271(9) 0.19523(12) 0.17052(8) 0.0213(3) Uani 1 1 d . . .
C32 C 0.02341(10) 0.16550(13) 0.17836(9) 0.0249(3) Uani 1 1 d . . .
C33 C -0.04981(10) 0.23042(15) 0.13444(11) 0.0325(3) Uani 1 1 d . . .
H33 H -0.1033 0.2110 0.1395 0.039 Uiso 1 1 calc R . .
C34 C -0.04608(11) 0.32256(16) 0.08366(11) 0.0364(4) Uani 1 1 d . . .
H34 H -0.0969 0.3640 0.0527 0.044 Uiso 1 1 calc R . .
C35 C 0.03172(11) 0.35370(14) 0.07828(10) 0.0317(3) Uani 1 1 d . . .
H35 H 0.0340 0.4178 0.0439 0.038 Uiso 1 1 calc R . .
C36 C 0.10730(10) 0.29365(13) 0.12190(9) 0.0243(3) Uani 1 1 d . . .
C37 C 0.01653(10) 0.07115(14) 0.23766(10) 0.0285(3) Uani 1 1 d . . .
H37 H 0.0700 0.0219 0.2537 0.034 Uiso 1 1 calc R . .
C38 C 0.01318(14) 0.13208(17) 0.31444(12) 0.0431(4) Uani 1 1 d . . .
H38A H 0.0626 0.1855 0.3363 0.052 Uiso 1 1 calc R . .
H38B H 0.0150 0.0717 0.3551 0.052 Uiso 1 1 calc R . .
H38C H -0.0402 0.1779 0.3009 0.052 Uiso 1 1 calc R . .
C39 C -0.06046(12) -0.01266(17) 0.20256(13) 0.0420(4) Uani 1 1 d . . .
H39A H -0.0579 -0.0507 0.1534 0.050 Uiso 1 1 calc R . .
H39B H -0.1140 0.0329 0.1890 0.050 Uiso 1 1 calc R . .
H39C H -0.0587 -0.0737 0.2428 0.050 Uiso 1 1 calc R . .
C40 C 0.19393(11) 0.33803(14) 0.12282(10) 0.0299(3) Uani 1 1 d . . .
H40 H 0.2325 0.2674 0.1304 0.036 Uiso 1 1 calc R . .
C41 C 0.23427(13) 0.42089(17) 0.19565(13) 0.0427(4) Uani 1 1 d . . .
H41A H 0.2367 0.3802 0.2456 0.051 Uiso 1 1 calc R . .
H41B H 0.1993 0.4930 0.1886 0.051 Uiso 1 1 calc R . .
H41C H 0.2926 0.4424 0.1992 0.051 Uiso 1 1 calc R . .
C42 C 0.19066(14) 0.4004(2) 0.04499(13) 0.0499(5) Uani 1 1 d . . .
H42A H 0.2484 0.4280 0.0506 0.060 Uiso 1 1 calc R . .
H42B H 0.1516 0.4687 0.0349 0.060 Uiso 1 1 calc R . .
H42C H 0.1698 0.3448 -0.0007 0.060 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'
Sn Sn -0.6537 1.4246 '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
N2 Sn N1 74.60(5) . . ?
N1 Si N2 91.74(6) . . ?
N1 Si C1 114.17(7) . . ?
N2 Si C1 110.03(7) . . ?
N1 Si C4 112.57(7) . . ?
N2 Si C4 115.06(7) . . ?
C1 Si C4 111.87(7) . . ?
C11 N1 Si 137.71(10) . . ?
C11 N1 Sn 124.88(9) . . ?
Si N1 Sn 96.67(5) . . ?
C31 N2 Si 134.98(10) . . ?
C31 N2 Sn 127.72(9) . . ?
Si N2 Sn 96.89(5) . . ?
C2 C1 C3 109.39(14) . . ?
C2 C1 Si 115.08(12) . . ?
C3 C1 Si 113.64(11) . . ?
C6 C4 C5 110.04(14) . . ?
C6 C4 Si 114.51(12) . . ?
C5 C4 Si 113.45(12) . . ?
C12 C11 C16 119.68(13) . . ?
C12 C11 N1 120.14(13) . . ?
C16 C11 N1 120.08(13) . . ?
C13 C12 C11 118.91(14) . . ?
C13 C12 C17 119.86(14) . . ?
C11 C12 C17 121.10(13) . . ?
C14 C13 C12 121.43(16) . . ?
C15 C14 C13 119.61(15) . . ?
C14 C15 C16 121.55(16) . . ?
C15 C16 C11 118.81(15) . . ?
C15 C16 C20 119.63(15) . . ?
C11 C16 C20 121.50(14) . . ?
C12 C17 C19 113.56(14) . . ?
C12 C17 C18 109.79(13) . . ?
C19 C17 C18 110.17(15) . . ?
C16 C20 C21 111.45(15) . . ?
C16 C20 C22 113.62(17) . . ?
C21 C20 C22 109.30(16) . . ?
C32 C31 N2 120.95(13) . . ?
C32 C31 C36 119.70(13) . . ?
N2 C31 C36 119.29(13) . . ?
C33 C32 C31 118.88(14) . . ?
C33 C32 C37 118.84(14) . . ?
C31 C32 C37 122.13(13) . . ?
C34 C33 C32 121.31(15) . . ?
C35 C34 C33 119.59(15) . . ?
C34 C35 C36 121.67(15) . . ?
C35 C36 C31 118.70(14) . . ?
C35 C36 C40 120.86(14) . . ?
C31 C36 C40 120.27(13) . . ?
C32 C37 C39 114.07(14) . . ?
C32 C37 C38 109.17(14) . . ?
C39 C37 C38 110.11(15) . . ?
C36 C40 C42 114.25(15) . . ?
C36 C40 C41 109.90(14) . . ?
C42 C40 C41 109.73(16) . . ?
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
Sn N2 2.0631(12) . ?
Sn N1 2.0709(12) . ?
Si N1 1.7440(12) . ?
Si N2 1.7463(12) . ?
Si C1 1.8874(16) . ?
Si C4 1.8951(16) . ?
N1 C11 1.4242(18) . ?
N2 C31 1.4175(17) . ?
C1 C2 1.534(2) . ?
C1 C3 1.543(2) . ?
C4 C6 1.539(2) . ?
C4 C5 1.540(2) . ?
C11 C12 1.414(2) . ?
C11 C16 1.414(2) . ?
C12 C13 1.395(2) . ?
C12 C17 1.516(2) . ?
C13 C14 1.382(2) . ?
C14 C15 1.373(3) . ?
C15 C16 1.399(2) . ?
C16 C20 1.519(2) . ?
C17 C19 1.530(2) . ?
C17 C18 1.532(2) . ?
C20 C21 1.528(3) . ?
C20 C22 1.534(3) . ?
C31 C32 1.414(2) . ?
C31 C36 1.418(2) . ?
C32 C33 1.395(2) . ?
C32 C37 1.521(2) . ?
C33 C34 1.384(2) . ?
C34 C35 1.375(3) . ?
C35 C36 1.393(2) . ?
C36 C40 1.519(2) . ?
C37 C39 1.532(2) . ?
C37 C38 1.534(3) . ?
C40 C42 1.524(2) . ?
C40 C41 1.534(3) . ?
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
N2 Si N1 C11 -167.37(15) . . . . ?
C1 Si N1 C11 79.71(16) . . . . ?
C4 Si N1 C11 -49.24(17) . . . . ?
N2 Si N1 Sn 2.48(6) . . . . ?
C1 Si N1 Sn -110.44(7) . . . . ?
C4 Si N1 Sn 120.61(7) . . . . ?
N2 Sn N1 C11 169.52(12) . . . . ?
N2 Sn N1 Si -2.17(5) . . . . ?
N1 Si N2 C31 -175.19(14) . . . . ?
C1 Si N2 C31 -58.63(16) . . . . ?
C4 Si N2 C31 68.83(16) . . . . ?
N1 Si N2 Sn -2.49(6) . . . . ?
C1 Si N2 Sn 114.07(6) . . . . ?
C4 Si N2 Sn -118.47(7) . . . . ?
N1 Sn N2 C31 175.65(13) . . . . ?
N1 Sn N2 Si 2.17(5) . . . . ?
N1 Si C1 C2 -72.38(14) . . . . ?
N2 Si C1 C2 -173.87(12) . . . . ?
C4 Si C1 C2 56.92(14) . . . . ?
N1 Si C1 C3 160.39(12) . . . . ?
N2 Si C1 C3 58.90(14) . . . . ?
C4 Si C1 C3 -70.31(14) . . . . ?
N1 Si C4 C6 -175.55(12) . . . . ?
N2 Si C4 C6 -72.21(14) . . . . ?
C1 Si C4 C6 54.31(14) . . . . ?
N1 Si C4 C5 56.97(14) . . . . ?
N2 Si C4 C5 160.31(12) . . . . ?
C1 Si C4 C5 -73.16(14) . . . . ?
Si N1 C11 C12 -95.64(18) . . . . ?
Sn N1 C11 C12 96.68(15) . . . . ?
Si N1 C11 C16 88.02(19) . . . . ?
Sn N1 C11 C16 -79.66(16) . . . . ?
C16 C11 C12 C13 -0.9(2) . . . . ?
N1 C11 C12 C13 -177.21(14) . . . . ?
C16 C11 C12 C17 174.88(14) . . . . ?
N1 C11 C12 C17 -1.5(2) . . . . ?
C11 C12 C13 C14 0.1(2) . . . . ?
C17 C12 C13 C14 -175.66(16) . . . . ?
C12 C13 C14 C15 0.4(3) . . . . ?
C13 C14 C15 C16 -0.3(3) . . . . ?
C14 C15 C16 C11 -0.5(3) . . . . ?
C14 C15 C16 C20 176.90(18) . . . . ?
C12 C11 C16 C15 1.0(2) . . . . ?
N1 C11 C16 C15 177.37(15) . . . . ?
C12 C11 C16 C20 -176.29(15) . . . . ?
N1 C11 C16 C20 0.1(2) . . . . ?
C13 C12 C17 C19 -38.9(2) . . . . ?
C11 C12 C17 C19 145.42(16) . . . . ?
C13 C12 C17 C18 84.93(18) . . . . ?
C11 C12 C17 C18 -90.76(17) . . . . ?
C15 C16 C20 C21 -85.7(2) . . . . ?
C11 C16 C20 C21 91.55(19) . . . . ?
C15 C16 C20 C22 38.3(2) . . . . ?
C11 C16 C20 C22 -144.45(17) . . . . ?
Si N2 C31 C32 95.96(17) . . . . ?
Sn N2 C31 C32 -74.86(17) . . . . ?
Si N2 C31 C36 -86.93(18) . . . . ?
Sn N2 C31 C36 102.24(14) . . . . ?
N2 C31 C32 C33 -179.63(14) . . . . ?
C36 C31 C32 C33 3.3(2) . . . . ?
N2 C31 C32 C37 4.9(2) . . . . ?
C36 C31 C32 C37 -172.19(14) . . . . ?
C31 C32 C33 C34 0.1(3) . . . . ?
C37 C32 C33 C34 175.72(16) . . . . ?
C32 C33 C34 C35 -2.2(3) . . . . ?
C33 C34 C35 C36 0.9(3) . . . . ?
C34 C35 C36 C31 2.4(2) . . . . ?
C34 C35 C36 C40 -172.89(16) . . . . ?
C32 C31 C36 C35 -4.5(2) . . . . ?
N2 C31 C36 C35 178.36(14) . . . . ?
C32 C31 C36 C40 170.84(14) . . . . ?
N2 C31 C36 C40 -6.3(2) . . . . ?
C33 C32 C37 C39 47.7(2) . . . . ?
C31 C32 C37 C39 -136.83(16) . . . . ?
C33 C32 C37 C38 -75.94(19) . . . . ?
C31 C32 C37 C38 99.53(18) . . . . ?
C35 C36 C40 C42 -31.5(2) . . . . ?
C31 C36 C40 C42 153.29(16) . . . . ?
C35 C36 C40 C41 92.36(18) . . . . ?
C31 C36 C40 C41 -82.88(18) . . . . ?
