#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/57/2215791.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2215791
loop_
_publ_author_name
'Koch, Christian'
'Görls, Helmar'
'Westerhausen, Matthias'
_publ_section_title
Di-μ-chlorido-bis({2-[(triisopropylsilyl)aminomethyl]pyridine-κN}lithium(I))
_journal_coeditor_code           BT2518
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2633
_journal_page_last               m2634
_journal_paper_doi               10.1107/S1600536807046442
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Li2 Cl2 (C15 H38 N2 Si)4]'
_chemical_formula_moiety         'C60 H112 Cl2 Li2 N8 Si4'
_chemical_formula_sum            'C60 H112 Cl2 Li2 N8 Si4'
_chemical_formula_weight         1142.72
_chemical_name_systematic
Di-μ-chlorido-bis({2-[(triisopropylsilyl)aminomethyl]pyridine-\kN}lithium(I))
_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
_cell_angle_alpha                113.036(10)
_cell_angle_beta                 95.653(17)
_cell_angle_gamma                102.388(12)
_cell_formula_units_Z            1
_cell_length_a                   9.6312(19)
_cell_length_b                   13.806(3)
_cell_length_c                   14.802(3)
_cell_measurement_reflns_used    10497
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      27.57
_cell_measurement_theta_min      1.67
_cell_volume                     1732.3(7)
_computing_cell_refinement       'DENZO (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'DENZO (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SHELXTL/PC (Siemens, 1990)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.873
_diffrn_measured_fraction_theta_max 0.873
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ and 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  0.0393
_diffrn_reflns_av_sigmaI/netI    0.0707
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10497
_diffrn_reflns_theta_full        27.57
_diffrn_reflns_theta_max         27.57
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    0.203
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.095
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.522
_refine_diff_density_min         -0.357
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         6997
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.1369
_refine_ls_R_factor_gt           0.0764
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0735P)²+2.7204P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1788
_refine_ls_wR_factor_ref         0.2146
_reflns_number_gt                4247
_reflns_number_total             6997
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bt2518.cif
_cod_data_source_block           I
_cod_original_cell_volume        1732.2(6)
_cod_database_code               2215791
_cod_database_fobs_code          2215791
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Li Li1 0.5468(8) 0.4002(6) 0.9583(5) 0.0482(17) Uani d . 1
Cl Cl1 0.47045(13) 0.47397(9) 1.11048(8) 0.0521(3) Uani d . 1
Si Si1A 0.37243(13) 0.16461(10) 1.16902(9) 0.0434(3) Uani d . 1
N N1A 0.3840(4) 0.2556(3) 0.8693(2) 0.0452(8) Uani d . 1
N N2A 0.3501(4) 0.2063(3) 1.0739(3) 0.0478(9) Uani d . 1
C C1A 0.3073(5) 0.2509(4) 0.7861(3) 0.0568(12) Uani d . 1
H H1AA 0.3394 0.3083 0.7663 0.068 Uiso calc R 1
C C2A 0.1865(5) 0.1689(5) 0.7284(4) 0.0651(14) Uani d . 1
H H2AA 0.1373 0.1687 0.6694 0.078 Uiso calc R 1
C C3A 0.1368(6) 0.0865(4) 0.7568(4) 0.0668(14) Uani d . 1
H H3AA 0.0521 0.0285 0.7184 0.080 Uiso calc R 1
C C4A 0.2131(5) 0.0899(4) 0.8425(4) 0.0591(12) Uani d . 1
H H4AA 0.1808 0.0341 0.8641 0.071 Uiso calc R 1
C C5A 0.3355(4) 0.1743(3) 0.8965(3) 0.0443(10) Uani d . 1
C C6A 0.4233(5) 0.1793(4) 0.9897(3) 0.0489(10) Uani d . 1
H H6AA 0.4428 0.1075 0.9745 0.059 Uiso calc R 1
H H6AB 0.5179 0.2350 1.0087 0.059 Uiso calc R 1
C C7A 0.2504(5) 0.2223(4) 1.2538(3) 0.0560(12) Uani d . 1
H H7AA 0.2918 0.3036 1.2833 0.067 Uiso calc R 1
C C8A 0.2544(7) 0.1923(6) 1.3429(4) 0.0862(19) Uani d . 1
H H8AA 0.1994 0.2323 1.3894 0.129 Uiso calc R 1
H H8AB 0.3553 0.2119 1.3774 0.129 Uiso calc R 1
H H8AC 0.2111 0.1134 1.3189 0.129 Uiso calc R 1
C C9A 0.0954(5) 0.2001(5) 1.2028(4) 0.0686(14) Uani d . 1
H H9AA 0.0476 0.2483 1.2490 0.103 Uiso calc R 1
H H9AB 0.0430 0.1236 1.1835 0.103 Uiso calc R 1
H H9AC 0.0954 0.2142 1.1428 0.103 Uiso calc R 1
C C10A 0.3299(5) 0.0107(3) 1.1087(3) 0.0457(10) Uani d . 1
H H10A 0.3907 -0.0074 1.0566 0.055 Uiso calc R 1
C C11A 0.1722(5) -0.0475(4) 1.0525(4) 0.0671(13) Uani d . 1
H H11A 0.1629 -0.1248 1.0110 0.101 Uiso calc R 1
H H11B 0.1442 -0.0130 1.0097 0.101 Uiso calc R 1
H H11C 0.1085 -0.0419 1.1010 0.101 Uiso calc R 1
C C12A 0.3745(6) -0.0382(4) 1.1805(4) 0.0612(13) Uani d . 1
H H12A 0.3572 -0.1175 1.1430 0.092 Uiso calc R 1
H H12B 0.3169 -0.0239 1.2329 0.092 Uiso calc R 1
H H12C 0.4778 -0.0045 1.2113 0.092 Uiso calc R 1
C C13A 0.5639(5) 0.2228(4) 1.2452(3) 0.0482(10) Uani d . 1
H H13A 0.5671 0.1962 1.2990 0.058 Uiso calc R 1
C C14A 0.6065(5) 0.3484(4) 1.2971(4) 0.0622(13) Uani d . 1
H H14A 0.7085 0.3760 1.3317 0.093 Uiso calc R 1
H H14B 0.5452 0.3723 1.3459 0.093 Uiso calc R 1
H H14C 0.5930 0.3771 1.2469 0.093 Uiso calc R 1
C C15A 0.6740(5) 0.1829(4) 1.1828(4) 0.0611(13) Uani d . 1
H H15A 0.7703 0.2100 1.2264 0.092 Uiso calc R 1
H H15B 0.6769 0.2105 1.1311 0.092 Uiso calc R 1
H H15C 0.6456 0.1027 1.1510 0.092 Uiso calc R 1
Si Si1B 0.79713(13) 0.28106(10) 0.60696(8) 0.0474(3) Uani d . 1
N N1B 0.7537(4) 0.3767(3) 0.9785(2) 0.0433(8) Uani d . 1
N N2B 0.8546(5) 0.3306(4) 0.7349(3) 0.0536(10) Uani d . 1
C C1B 0.8156(5) 0.3954(3) 1.0715(3) 0.0479(10) Uani d . 1
H H1BA 0.7613 0.4149 1.1229 0.057 Uiso calc R 1
C C2B 0.9527(5) 0.3878(4) 1.0962(3) 0.0530(11) Uani d . 1
H H2BA 0.9916 0.4010 1.1628 0.064 Uiso calc R 1
C C3B 1.0328(5) 0.3606(4) 1.0225(4) 0.0564(12) Uani d . 1
H H3BA 1.1284 0.3554 1.0373 0.068 Uiso calc R 1
C C4B 0.9709(5) 0.3411(4) 0.9262(3) 0.0508(11) Uani d . 1
H H4BA 1.0241 0.3220 0.8742 0.061 Uiso calc R 1
C C5B 0.8324(4) 0.3493(3) 0.9062(3) 0.0434(9) Uani d . 1
C C6B 0.7567(5) 0.3295(4) 0.8040(3) 0.0519(11) Uani d . 1
H H6BA 0.6824 0.2577 0.7746 0.062 Uiso calc R 1
H H6BB 0.7058 0.3866 0.8115 0.062 Uiso calc R 1
C C7B 0.6639(5) 0.3478(4) 0.5710(3) 0.0573(12) Uani d . 1
H H7BA 0.6485 0.3220 0.4966 0.069 Uiso calc R 1
C C8B 0.7227(8) 0.4725(5) 0.6175(5) 0.0914(19) Uani d . 1
H H8BA 0.6538 0.5035 0.5924 0.137 Uiso calc R 1
H H8BB 0.8162 0.4927 0.5994 0.137 Uiso calc R 1
H H8BC 0.7357 0.5012 0.6906 0.137 Uiso calc R 1
C C9B 0.5148(6) 0.3168(6) 0.5962(4) 0.0822(18) Uani d . 1
H H9BA 0.4484 0.3487 0.5701 0.123 Uiso calc R 1
H H9BB 0.5248 0.3448 0.6691 0.123 Uiso calc R 1
H H9BC 0.4761 0.2368 0.5656 0.123 Uiso calc R 1
C C10B 0.9672(5) 0.3055(4) 0.5550(3) 0.0609(13) Uani d . 1
H H10B 0.9979 0.2366 0.5362 0.073 Uiso calc R 1
C C11B 1.0943(6) 0.3945(5) 0.6265(4) 0.0847(18) Uani d . 1
H H11D 1.1781 0.3963 0.5941 0.127 Uiso calc R 1
H H11E 1.1171 0.3810 0.6857 0.127 Uiso calc R 1
H H11F 1.0714 0.4650 0.6468 0.127 Uiso calc R 1
C C12B 0.9371(6) 0.3185(5) 0.4578(4) 0.0725(15) Uani d . 1
H H12D 1.0268 0.3275 0.4322 0.109 Uiso calc R 1
H H12E 0.9015 0.3831 0.4707 0.109 Uiso calc R 1
H H12F 0.8635 0.2532 0.4080 0.109 Uiso calc R 1
C C13B 0.7081(5) 0.1308(4) 0.5560(3) 0.0580(12) Uani d . 1
H H13B 0.6231 0.1229 0.5888 0.070 Uiso calc R 1
C C14B 0.8030(7) 0.0662(5) 0.5822(5) 0.0814(17) Uani d . 1
H H14D 0.7452 -0.0095 0.5610 0.122 Uiso calc R 1
H H14E 0.8401 0.1000 0.6547 0.122 Uiso calc R 1
H H14F 0.8846 0.0667 0.5475 0.122 Uiso calc R 1
C C15B 0.6462(7) 0.0775(4) 0.4429(4) 0.0735(15) Uani d . 1
H H15D 0.5995 -0.0006 0.4211 0.110 Uiso calc R 1
H H15E 0.7250 0.0862 0.4071 0.110 Uiso calc R 1
H H15F 0.5745 0.1129 0.4282 0.110 Uiso calc R 1
H H1NB 0.925(6) 0.391(4) 0.764(4) 0.067(16) Uiso d . 1
H H1NA 0.347(4) 0.269(4) 1.095(3) 0.038(12) Uiso d . 1
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'
Li Li -0.0003 0.0001 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
N1A Li1 N1B . . 113.6(4)
N1A Li1 Cl1 . . 105.2(3)
N1B Li1 Cl1 . . 112.2(3)
N1A Li1 Cl1 . 2_667 106.9(3)
N1B Li1 Cl1 . 2_667 114.9(3)
Cl1 Li1 Cl1 . 2_667 103.1(3)
N1A Li1 Li1 . 2_667 116.4(4)
N1B Li1 Li1 . 2_667 130.0(5)
Cl1 Li1 Li1 . 2_667 51.7(2)
Cl1 Li1 Li1 2_667 2_667 51.4(2)
Li1 Cl1 Li1 . 2_667 76.9(3)
N2A Si1A C7A . . 105.29(19)
N2A Si1A C10A . . 107.33(19)
C7A Si1A C10A . . 115.7(2)
N2A Si1A C13A . . 112.41(19)
C7A Si1A C13A . . 107.6(2)
C10A Si1A C13A . . 108.56(19)
C1A N1A C5A . . 117.0(4)
C1A N1A Li1 . . 117.4(3)
C5A N1A Li1 . . 124.8(3)
C6A N2A Si1A . . 124.7(3)
C6A N2A H1NA . . 111(3)
Si1A N2A H1NA . . 112(3)
N1A C1A C2A . . 124.0(4)
N1A C1A H1AA . . 118.0
C2A C1A H1AA . . 118.0
C1A C2A C3A . . 118.8(4)
C1A C2A H2AA . . 120.6
C3A C2A H2AA . . 120.6
C2A C3A C4A . . 118.3(5)
C2A C3A H3AA . . 120.8
C4A C3A H3AA . . 120.8
C5A C4A C3A . . 119.8(4)
C5A C4A H4AA . . 120.1
C3A C4A H4AA . . 120.1
N1A C5A C4A . . 122.0(4)
N1A C5A C6A . . 116.8(4)
C4A C5A C6A . . 121.2(4)
N2A C6A C5A . . 112.7(3)
N2A C6A H6AA . . 109.1
C5A C6A H6AA . . 109.1
N2A C6A H6AB . . 109.1
C5A C6A H6AB . . 109.1
H6AA C6A H6AB . . 107.8
C9A C7A C8A . . 110.9(4)
C9A C7A Si1A . . 115.6(3)
C8A C7A Si1A . . 112.8(3)
C9A C7A H7AA . . 105.5
C8A C7A H7AA . . 105.5
Si1A C7A H7AA . . 105.5
C7A C8A H8AA . . 109.5
C7A C8A H8AB . . 109.5
H8AA C8A H8AB . . 109.5
C7A C8A H8AC . . 109.5
H8AA C8A H8AC . . 109.5
H8AB C8A H8AC . . 109.5
C7A C9A H9AA . . 109.5
C7A C9A H9AB . . 109.5
H9AA C9A H9AB . . 109.5
C7A C9A H9AC . . 109.5
H9AA C9A H9AC . . 109.5
H9AB C9A H9AC . . 109.5
C11A C10A C12A . . 110.6(4)
C11A C10A Si1A . . 113.9(3)
C12A C10A Si1A . . 113.9(3)
C11A C10A H10A . . 105.9
C12A C10A H10A . . 105.9
Si1A C10A H10A . . 105.9
C10A C11A H11A . . 109.5
C10A C11A H11B . . 109.5
H11A C11A H11B . . 109.5
C10A C11A H11C . . 109.5
H11A C11A H11C . . 109.5
H11B C11A H11C . . 109.5
C10A C12A H12A . . 109.5
C10A C12A H12B . . 109.5
H12A C12A H12B . . 109.5
C10A C12A H12C . . 109.5
H12A C12A H12C . . 109.5
H12B C12A H12C . . 109.5
C15A C13A C14A . . 110.7(4)
C15A C13A Si1A . . 112.3(3)
C14A C13A Si1A . . 111.6(3)
C15A C13A H13A . . 107.3
C14A C13A H13A . . 107.3
Si1A C13A H13A . . 107.3
C13A C14A H14A . . 109.5
C13A C14A H14B . . 109.5
H14A C14A H14B . . 109.5
C13A C14A H14C . . 109.5
H14A C14A H14C . . 109.5
H14B C14A H14C . . 109.5
C13A C15A H15A . . 109.5
C13A C15A H15B . . 109.5
H15A C15A H15B . . 109.5
C13A C15A H15C . . 109.5
H15A C15A H15C . . 109.5
H15B C15A H15C . . 109.5
N2B Si1B C13B . . 108.2(2)
N2B Si1B C7B . . 113.3(2)
C13B Si1B C7B . . 108.4(2)
N2B Si1B C10B . . 106.1(2)
C13B Si1B C10B . . 109.8(2)
C7B Si1B C10B . . 110.9(2)
C1B N1B C5B . . 117.5(4)
C1B N1B Li1 . . 117.5(3)
C5B N1B Li1 . . 124.9(3)
C6B N2B Si1B . . 123.8(3)
C6B N2B H1NB . . 108(3)
Si1B N2B H1NB . . 117(3)
N1B C1B C2B . . 123.6(4)
N1B C1B H1BA . . 118.2
C2B C1B H1BA . . 118.2
C1B C2B C3B . . 118.7(4)
C1B C2B H2BA . . 120.7
C3B C2B H2BA . . 120.7
C2B C3B C4B . . 118.6(4)
C2B C3B H3BA . . 120.7
C4B C3B H3BA . . 120.7
C5B C4B C3B . . 119.9(4)
C5B C4B H4BA . . 120.0
C3B C4B H4BA . . 120.0
N1B C5B C4B . . 121.7(4)
N1B C5B C6B . . 114.7(4)
C4B C5B C6B . . 123.6(4)
N2B C6B C5B . . 113.5(4)
N2B C6B H6BA . . 108.9
C5B C6B H6BA . . 108.9
N2B C6B H6BB . . 108.9
C5B C6B H6BB . . 108.9
H6BA C6B H6BB . . 107.7
C8B C7B C9B . . 109.2(5)
C8B C7B Si1B . . 112.1(4)
C9B C7B Si1B . . 113.8(4)
C8B C7B H7BA . . 107.1
C9B C7B H7BA . . 107.1
Si1B C7B H7BA . . 107.1
C7B C8B H8BA . . 109.5
C7B C8B H8BB . . 109.5
H8BA C8B H8BB . . 109.5
C7B C8B H8BC . . 109.5
H8BA C8B H8BC . . 109.5
H8BB C8B H8BC . . 109.5
C7B C9B H9BA . . 109.5
C7B C9B H9BB . . 109.5
H9BA C9B H9BB . . 109.5
C7B C9B H9BC . . 109.5
H9BA C9B H9BC . . 109.5
H9BB C9B H9BC . . 109.5
C11B C10B C12B . . 110.8(4)
C11B C10B Si1B . . 116.0(3)
C12B C10B Si1B . . 112.4(3)
C11B C10B H10B . . 105.5
C12B C10B H10B . . 105.5
Si1B C10B H10B . . 105.5
C10B C11B H11D . . 109.5
C10B C11B H11E . . 109.5
H11D C11B H11E . . 109.5
C10B C11B H11F . . 109.5
H11D C11B H11F . . 109.5
H11E C11B H11F . . 109.5
C10B C12B H12D . . 109.5
C10B C12B H12E . . 109.5
H12D C12B H12E . . 109.5
C10B C12B H12F . . 109.5
H12D C12B H12F . . 109.5
H12E C12B H12F . . 109.5
C14B C13B C15B . . 110.2(4)
C14B C13B Si1B . . 114.1(4)
C15B C13B Si1B . . 113.4(3)
C14B C13B H13B . . 106.1
C15B C13B H13B . . 106.1
Si1B C13B H13B . . 106.1
C13B C14B H14D . . 109.5
C13B C14B H14E . . 109.5
H14D C14B H14E . . 109.5
C13B C14B H14F . . 109.5
H14D C14B H14F . . 109.5
H14E C14B H14F . . 109.5
C13B C15B H15D . . 109.5
C13B C15B H15E . . 109.5
H15D C15B H15E . . 109.5
C13B C15B H15F . . 109.5
H15D C15B H15F . . 109.5
H15E C15B H15F . . 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Li1 N1A . 2.090(8)
Li1 N1B . 2.098(8)
Li1 Cl1 . 2.346(7)
Li1 Cl1 2_667 2.357(7)
Li1 Li1 2_667 2.925(15)
Cl1 Li1 2_667 2.357(7)
Si1A N2A . 1.728(4)
Si1A C7A . 1.871(5)
Si1A C10A . 1.885(4)
Si1A C13A . 1.888(4)
N1A C1A . 1.343(5)
N1A C5A . 1.345(5)
N2A C6A . 1.454(5)
N2A H1NA . 0.81(4)
C1A C2A . 1.359(7)
C1A H1AA . 0.9500
C2A C3A . 1.371(7)
C2A H2AA . 0.9500
C3A C4A . 1.381(7)
C3A H3AA . 0.9500
C4A C5A . 1.372(6)
C4A H4AA . 0.9500
C5A C6A . 1.514(6)
C6A H6AA . 0.9900
C6A H6AB . 0.9900
C7A C9A . 1.514(6)
C7A C8A . 1.529(6)
C7A H7AA . 1.0000
C8A H8AA . 0.9800
C8A H8AB . 0.9800
C8A H8AC . 0.9800
C9A H9AA . 0.9800
C9A H9AB . 0.9800
C9A H9AC . 0.9800
C10A C11A . 1.533(6)
C10A C12A . 1.538(6)
C10A H10A . 1.0000
C11A H11A . 0.9800
C11A H11B . 0.9800
C11A H11C . 0.9800
C12A H12A . 0.9800
C12A H12B . 0.9800
C12A H12C . 0.9800
C13A C15A . 1.525(6)
C13A C14A . 1.534(6)
C13A H13A . 1.0000
C14A H14A . 0.9800
C14A H14B . 0.9800
C14A H14C . 0.9800
C15A H15A . 0.9800
C15A H15B . 0.9800
C15A H15C . 0.9800
Si1B N2B . 1.726(4)
Si1B C13B . 1.869(5)
Si1B C7B . 1.881(5)
Si1B C10B . 1.898(5)
N1B C1B . 1.346(5)
N1B C5B . 1.353(5)
N2B C6B . 1.460(5)
N2B H1NB . 0.87(5)
C1B C2B . 1.372(6)
C1B H1BA . 0.9500
C2B C3B . 1.376(6)
C2B H2BA . 0.9500
C3B C4B . 1.386(6)
C3B H3BA . 0.9500
C4B C5B . 1.376(6)
C4B H4BA . 0.9500
C5B C6B . 1.506(6)
C6B H6BA . 0.9900
C6B H6BB . 0.9900
C7B C8B . 1.528(8)
C7B C9B . 1.533(7)
C7B H7BA . 1.0000
C8B H8BA . 0.9800
C8B H8BB . 0.9800
C8B H8BC . 0.9800
C9B H9BA . 0.9800
C9B H9BB . 0.9800
C9B H9BC . 0.9800
C10B C11B . 1.487(7)
C10B C12B . 1.526(6)
C10B H10B . 1.0000
C11B H11D . 0.9800
C11B H11E . 0.9800
C11B H11F . 0.9800
C12B H12D . 0.9800
C12B H12E . 0.9800
C12B H12F . 0.9800
C13B C14B . 1.526(7)
C13B C15B . 1.533(6)
C13B H13B . 1.0000
C14B H14D . 0.9800
C14B H14E . 0.9800
C14B H14F . 0.9800
C15B H15D . 0.9800
C15B H15E . 0.9800
C15B H15F . 0.9800
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N2A H1NA Cl1 0.81(5) 2.73(6) 3.430(5) 146(4) yes
