#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:31:19 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179794 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/90/7009023.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_7009023
loop_
_publ_author_name
'Hensen, Karl'
'Mayr-Stein, Ralf'
'Stumpf, Thorsten'
'Pickel, Peter'
'Bolte, Michael'
'Fleischer, Holger'
_publ_section_title
;
 Halogen exchange and expulsion: ligand stabilized dihalogen silicon
 dications
;
_journal_issue                   4
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              473
_journal_paper_doi               10.1039/a908134h
_journal_year                    2000
_chemical_formula_sum            'C19 H27 Br2 Cl11 N8 Si'
_chemical_formula_weight         945.35
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.370(10)
_cell_angle_beta                 94.740(10)
_cell_angle_gamma                99.170(10)
_cell_formula_units_Z            2
_cell_length_a                   9.6530(10)
_cell_length_b                   12.5500(10)
_cell_length_c                   15.709(2)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      1
_cell_volume                     1869.4(3)
_computing_cell_refinement       'Siemens SMART'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens SAINT'
_computing_molecular_graphics    'XP (Siemens XTL-Plus)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.882
_diffrn_measured_fraction_theta_max 0.882
_diffrn_measurement_device_type  'Siemens CCD three-circle diffractometer'
_diffrn_measurement_method       ω
_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  0.0253
_diffrn_reflns_av_sigmaI/netI    0.0273
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            45112
_diffrn_reflns_theta_full        32.25
_diffrn_reflns_theta_max         32.25
_diffrn_reflns_theta_min         1.30
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  1080
_diffrn_standards_number         316
_exptl_absorpt_coefficient_mu    3.013
_exptl_absorpt_correction_T_max  0.3787
_exptl_absorpt_correction_T_min  0.2651
_exptl_absorpt_correction_type   'Empirical, SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.679
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.210
_refine_diff_density_min         -0.952
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     374
_refine_ls_number_reflns         11710
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0349
_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)+(0.0276P)²+2.2380P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0724
_refine_ls_wR_factor_ref         0.0798
_reflns_number_gt                9332
_reflns_number_total             11710
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            a908134h.txt
_cod_data_source_block           (2a)_he57
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7009023
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
Br1 Br 0.97139(2) 0.266520(17) 0.498146(14) 0.02551(5) Uani 1 1 d . . .
Br2 Br 0.70124(3) 0.621770(19) 0.857441(16) 0.03401(6) Uani 1 1 d . . .
Si1 Si 0.49606(5) 0.26105(4) 0.62700(3) 0.01718(10) Uani 1 1 d . . .
Cl1 Cl 0.37263(5) 0.39386(4) 0.63817(3) 0.02195(9) Uani 1 1 d . . .
Cl2 Cl 0.62215(5) 0.12971(4) 0.61880(3) 0.02248(9) Uani 1 1 d . . .
N11 N 0.51059(18) 0.25423(13) 0.74820(11) 0.0203(3) Uani 1 1 d . . .
C12 C 0.5478(2) 0.33664(16) 0.80697(13) 0.0216(4) Uani 1 1 d . . .
H12 H 0.5726 0.4103 0.7945 0.026 Uiso 1 1 calc R . .
N13 N 0.54487(19) 0.29988(15) 0.88575(11) 0.0245(4) Uani 1 1 d . . .
C13 C 0.5774(3) 0.3652(2) 0.96682(14) 0.0324(5) Uani 1 1 d . . .
H13A H 0.6068 0.4411 0.9550 0.049 Uiso 1 1 calc R . .
H13B H 0.6537 0.3395 1.0011 0.049 Uiso 1 1 calc R . .
H13C H 0.4933 0.3585 0.9985 0.049 Uiso 1 1 calc R . .
C14 C 0.5036(3) 0.18871(19) 0.87783(15) 0.0326(5) Uani 1 1 d . . .
H14 H 0.4920 0.1412 0.9232 0.039 Uiso 1 1 calc R . .
C15 C 0.4830(3) 0.16072(17) 0.79299(14) 0.0286(5) Uani 1 1 d . . .
H15 H 0.4545 0.0894 0.7682 0.034 Uiso 1 1 calc R . .
N21 N 0.47951(17) 0.26501(13) 0.50657(10) 0.0192(3) Uani 1 1 d . . .
C22 C 0.5864(2) 0.27142(17) 0.45634(13) 0.0233(4) Uani 1 1 d . . .
H22 H 0.6814 0.2677 0.4754 0.028 Uiso 1 1 calc R . .
N23 N 0.53917(19) 0.28380(15) 0.37579(11) 0.0256(4) Uani 1 1 d . . .
C23 C 0.6271(3) 0.2977(2) 0.30356(16) 0.0400(6) Uani 1 1 d . . .
H23A H 0.7267 0.3128 0.3254 0.060 Uiso 1 1 calc R . .
H23B H 0.6035 0.3582 0.2708 0.060 Uiso 1 1 calc R . .
H23C H 0.6095 0.2314 0.2664 0.060 Uiso 1 1 calc R . .
C24 C 0.3951(2) 0.28431(18) 0.37233(14) 0.0263(4) Uani 1 1 d . . .
H24 H 0.3342 0.2916 0.3230 0.032 Uiso 1 1 calc R . .
C25 C 0.3583(2) 0.27225(17) 0.45363(13) 0.0226(4) Uani 1 1 d . . .
H25 H 0.2661 0.2693 0.4713 0.027 Uiso 1 1 calc R . .
N31 N 0.66264(17) 0.36559(13) 0.63205(10) 0.0188(3) Uani 1 1 d . . .
C32 C 0.7915(2) 0.35921(17) 0.66914(13) 0.0214(4) Uani 1 1 d . . .
H32 H 0.8138 0.3017 0.7024 0.026 Uiso 1 1 calc R . .
N33 N 0.88332(18) 0.44502(14) 0.65249(11) 0.0231(3) Uani 1 1 d . . .
C33 C 1.0353(2) 0.4639(2) 0.67746(17) 0.0349(5) Uani 1 1 d . . .
H33A H 1.0617 0.4004 0.7049 0.052 Uiso 1 1 calc R . .
H33B H 1.0593 0.5273 0.7177 0.052 Uiso 1 1 calc R . .
H33C H 1.0865 0.4767 0.6265 0.052 Uiso 1 1 calc R . .
C34 C 0.8145(2) 0.50985(18) 0.60125(15) 0.0275(4) Uani 1 1 d . . .
H34 H 0.8546 0.5757 0.5787 0.033 Uiso 1 1 calc R . .
C35 C 0.6778(2) 0.46119(17) 0.58922(14) 0.0255(4) Uani 1 1 d . . .
H35 H 0.6044 0.4880 0.5569 0.031 Uiso 1 1 calc R . .
N41 N 0.32771(17) 0.15786(13) 0.61870(11) 0.0203(3) Uani 1 1 d . . .
C42 C 0.2098(2) 0.16555(17) 0.65590(14) 0.0241(4) Uani 1 1 d . . .
H42 H 0.1964 0.2256 0.6913 0.029 Uiso 1 1 calc R . .
N43 N 0.11343(18) 0.07718(15) 0.63653(12) 0.0259(4) Uani 1 1 d . . .
C43 C -0.0318(2) 0.0617(2) 0.66096(18) 0.0369(6) Uani 1 1 d . . .
H43A H -0.0321 0.0897 0.7201 0.055 Uiso 1 1 calc R . .
H43B H -0.0710 -0.0155 0.6562 0.055 Uiso 1 1 calc R . .
H43C H -0.0892 0.1006 0.6228 0.055 Uiso 1 1 calc R . .
C44 C 0.1689(2) 0.00944(18) 0.58281(16) 0.0305(5) Uani 1 1 d . . .
H44 H 0.1233 -0.0588 0.5581 0.037 Uiso 1 1 calc R . .
C45 C 0.3014(2) 0.05862(18) 0.57169(15) 0.0286(4) Uani 1 1 d . . .
H45 H 0.3654 0.0303 0.5377 0.034 Uiso 1 1 calc R . .
C1 C 0.9789(3) 0.2090(2) 0.17715(15) 0.0346(5) Uani 1 1 d . . .
H1 H 1.0756 0.2265 0.1577 0.041 Uiso 1 1 calc R . .
Cl11 Cl 0.90915(9) 0.07271(7) 0.14569(5) 0.0560(2) Uani 1 1 d . . .
Cl12 Cl 0.87138(8) 0.29681(7) 0.12955(5) 0.05098(18) Uani 1 1 d . . .
Cl13 Cl 0.99056(7) 0.22814(5) 0.28934(4) 0.03484(12) Uani 1 1 d . . .
C2 C 0.6428(3) 0.8921(2) 0.87693(15) 0.0331(5) Uani 1 1 d . . .
H2 H 0.6591 0.8155 0.8795 0.040 Uiso 1 1 calc R . .
Cl21 Cl 0.75140(9) 0.97111(10) 0.95907(6) 0.0742(3) Uani 1 1 d . . .
Cl22 Cl 0.68276(8) 0.93934(6) 0.77644(4) 0.04631(16) Uani 1 1 d . . .
Cl23 Cl 0.46444(7) 0.89698(5) 0.89208(4) 0.03729(13) Uani 1 1 d . . .
C3 C 0.0794(4) 0.3461(3) 0.9319(2) 0.0538(8) Uani 1 1 d . . .
H3 H 0.1063 0.3612 0.9946 0.065 Uiso 1 1 calc R . .
Cl31 Cl -0.05769(8) 0.41776(7) 0.90120(5) 0.05288(18) Uani 1 1 d . . .
Cl32 Cl 0.22688(11) 0.39274(14) 0.87618(7) 0.1033(5) Uani 1 1 d . . .
Cl33 Cl 0.0213(3) 0.20752(11) 0.91285(11) 0.1540(9) Uani 1 1 d . . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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
N21 Si1 N31 89.46(7) . . ?
N21 Si1 N41 88.97(7) . . ?
N31 Si1 N41 178.30(8) . . ?
N21 Si1 N11 178.85(8) . . ?
N31 Si1 N11 91.58(7) . . ?
N41 Si1 N11 90.00(8) . . ?
N21 Si1 Cl2 90.33(6) . . ?
N31 Si1 Cl2 90.36(6) . . ?
N41 Si1 Cl2 90.30(6) . . ?
N11 Si1 Cl2 89.19(6) . . ?
N21 Si1 Cl1 90.84(6) . . ?
N31 Si1 Cl1 88.96(6) . . ?
N41 Si1 Cl1 90.41(6) . . ?
N11 Si1 Cl1 89.65(6) . . ?
Cl2 Si1 Cl1 178.64(3) . . ?
C12 N11 C15 106.62(17) . . ?
C12 N11 Si1 127.54(14) . . ?
C15 N11 Si1 125.84(14) . . ?
N13 C12 N11 110.07(18) . . ?
C12 N13 C14 108.04(18) . . ?
C12 N13 C13 126.45(19) . . ?
C14 N13 C13 125.50(19) . . ?
C15 C14 N13 106.84(19) . . ?
C14 C15 N11 108.43(19) . . ?
C22 N21 C25 106.82(17) . . ?
C22 N21 Si1 125.79(14) . . ?
C25 N21 Si1 127.13(14) . . ?
N23 C22 N21 109.87(18) . . ?
C22 N23 C24 108.63(17) . . ?
C22 N23 C23 125.20(19) . . ?
C24 N23 C23 126.14(19) . . ?
C25 C24 N23 106.42(18) . . ?
C24 C25 N21 108.25(18) . . ?
C32 N31 C35 105.83(16) . . ?
C32 N31 Si1 128.33(14) . . ?
C35 N31 Si1 125.54(14) . . ?
N33 C32 N31 110.23(18) . . ?
C32 N33 C34 108.69(17) . . ?
C32 N33 C33 126.3(2) . . ?
C34 N33 C33 124.77(19) . . ?
C35 C34 N33 106.39(18) . . ?
C34 C35 N31 108.84(19) . . ?
C42 N41 C45 105.80(17) . . ?
C42 N41 Si1 127.20(14) . . ?
C45 N41 Si1 127.00(14) . . ?
N43 C42 N41 110.72(19) . . ?
C42 N43 C44 108.09(18) . . ?
C42 N43 C43 125.4(2) . . ?
C44 N43 C43 126.2(2) . . ?
C45 C44 N43 106.88(19) . . ?
C44 C45 N41 108.5(2) . . ?
Cl13 C1 Cl11 110.08(14) . . ?
Cl13 C1 Cl12 109.88(14) . . ?
Cl11 C1 Cl12 110.39(13) . . ?
Cl21 C2 Cl22 110.35(14) . . ?
Cl21 C2 Cl23 109.28(13) . . ?
Cl22 C2 Cl23 110.28(14) . . ?
Cl33 C3 Cl31 109.8(2) . . ?
Cl33 C3 Cl32 112.3(2) . . ?
Cl31 C3 Cl32 108.94(18) . . ?
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
Si1 N21 1.8888(17) . ?
Si1 N31 1.9003(17) . ?
Si1 N41 1.9014(17) . ?
Si1 N11 1.9040(18) . ?
Si1 Cl2 2.2051(7) . ?
Si1 Cl1 2.2073(7) . ?
N11 C12 1.341(3) . ?
N11 C15 1.394(3) . ?
C12 N13 1.339(3) . ?
N13 C14 1.386(3) . ?
N13 C13 1.469(3) . ?
C14 C15 1.355(3) . ?
N21 C22 1.344(3) . ?
N21 C25 1.395(3) . ?
C22 N23 1.333(3) . ?
N23 C24 1.388(3) . ?
N23 C23 1.472(3) . ?
C24 C25 1.361(3) . ?
N31 C32 1.345(3) . ?
N31 C35 1.393(3) . ?
C32 N33 1.331(3) . ?
N33 C34 1.375(3) . ?
N33 C33 1.466(3) . ?
C34 C35 1.357(3) . ?
N41 C42 1.336(3) . ?
N41 C45 1.398(3) . ?
C42 N43 1.336(3) . ?
N43 C44 1.372(3) . ?
N43 C43 1.469(3) . ?
C44 C45 1.357(3) . ?
C1 Cl13 1.761(2) . ?
C1 Cl11 1.769(3) . ?
C1 Cl12 1.777(3) . ?
C2 Cl21 1.757(3) . ?
C2 Cl22 1.760(2) . ?
C2 Cl23 1.768(3) . ?
C3 Cl33 1.745(4) . ?
C3 Cl31 1.762(3) . ?
C3 Cl32 1.766(4) . ?
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
N21 Si1 N11 C12 -164(4) . . . . ?
N31 Si1 N11 C12 40.69(18) . . . . ?
N41 Si1 N11 C12 -138.68(18) . . . . ?
Cl2 Si1 N11 C12 131.02(17) . . . . ?
Cl1 Si1 N11 C12 -48.26(17) . . . . ?
N21 Si1 N11 C15 16(4) . . . . ?
N31 Si1 N11 C15 -139.79(18) . . . . ?
N41 Si1 N11 C15 40.84(19) . . . . ?
Cl2 Si1 N11 C15 -49.46(18) . . . . ?
Cl1 Si1 N11 C15 131.26(18) . . . . ?
C15 N11 C12 N13 0.0(2) . . . . ?
Si1 N11 C12 N13 179.56(14) . . . . ?
N11 C12 N13 C14 -0.2(2) . . . . ?
N11 C12 N13 C13 -179.3(2) . . . . ?
C12 N13 C14 C15 0.3(3) . . . . ?
C13 N13 C14 C15 179.5(2) . . . . ?
N13 C14 C15 N11 -0.3(3) . . . . ?
C12 N11 C15 C14 0.2(3) . . . . ?
Si1 N11 C15 C14 -179.38(16) . . . . ?
N31 Si1 N21 C22 39.78(18) . . . . ?
N41 Si1 N21 C22 -140.87(18) . . . . ?
N11 Si1 N21 C22 -116(4) . . . . ?
Cl2 Si1 N21 C22 -50.57(17) . . . . ?
Cl1 Si1 N21 C22 128.73(17) . . . . ?
N31 Si1 N21 C25 -133.62(17) . . . . ?
N41 Si1 N21 C25 45.73(17) . . . . ?
N11 Si1 N21 C25 71(4) . . . . ?
Cl2 Si1 N21 C25 136.03(16) . . . . ?
Cl1 Si1 N21 C25 -44.67(17) . . . . ?
C25 N21 C22 N23 0.9(2) . . . . ?
Si1 N21 C22 N23 -173.59(14) . . . . ?
N21 C22 N23 C24 -0.7(2) . . . . ?
N21 C22 N23 C23 177.6(2) . . . . ?
C22 N23 C24 C25 0.2(2) . . . . ?
C23 N23 C24 C25 -178.1(2) . . . . ?
N23 C24 C25 N21 0.3(2) . . . . ?
C22 N21 C25 C24 -0.8(2) . . . . ?
Si1 N21 C25 C24 173.66(15) . . . . ?
N21 Si1 N31 C32 -124.79(18) . . . . ?
N41 Si1 N31 C32 -147(3) . . . . ?
N11 Si1 N31 C32 54.74(18) . . . . ?
Cl2 Si1 N31 C32 -34.45(17) . . . . ?
Cl1 Si1 N31 C32 144.37(17) . . . . ?
N21 Si1 N31 C35 47.98(18) . . . . ?
N41 Si1 N31 C35 26(3) . . . . ?
N11 Si1 N31 C35 -132.49(18) . . . . ?
Cl2 Si1 N31 C35 138.31(17) . . . . ?
Cl1 Si1 N31 C35 -42.87(17) . . . . ?
C35 N31 C32 N33 0.7(2) . . . . ?
Si1 N31 C32 N33 174.58(14) . . . . ?
N31 C32 N33 C34 -1.2(2) . . . . ?
N31 C32 N33 C33 -176.1(2) . . . . ?
C32 N33 C34 C35 1.2(2) . . . . ?
C33 N33 C34 C35 176.2(2) . . . . ?
N33 C34 C35 N31 -0.8(3) . . . . ?
C32 N31 C35 C34 0.1(2) . . . . ?
Si1 N31 C35 C34 -174.01(15) . . . . ?
N21 Si1 N41 C42 -123.14(19) . . . . ?
N31 Si1 N41 C42 -101(3) . . . . ?
N11 Si1 N41 C42 57.34(19) . . . . ?
Cl2 Si1 N41 C42 146.53(18) . . . . ?
Cl1 Si1 N41 C42 -32.31(18) . . . . ?
N21 Si1 N41 C45 56.22(19) . . . . ?
N31 Si1 N41 C45 79(3) . . . . ?
N11 Si1 N41 C45 -123.30(19) . . . . ?
Cl2 Si1 N41 C45 -34.11(18) . . . . ?
Cl1 Si1 N41 C45 147.05(18) . . . . ?
C45 N41 C42 N43 1.2(2) . . . . ?
Si1 N41 C42 N43 -179.35(14) . . . . ?
N41 C42 N43 C44 -1.4(3) . . . . ?
N41 C42 N43 C43 -175.0(2) . . . . ?
C42 N43 C44 C45 1.0(3) . . . . ?
C43 N43 C44 C45 174.6(2) . . . . ?
N43 C44 C45 N41 -0.3(3) . . . . ?
C42 N41 C45 C44 -0.5(3) . . . . ?
Si1 N41 C45 C44 179.99(16) . . . . ?
