#------------------------------------------------------------------------------
#$Date: 2016-03-21 15:14:41 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178741 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/52/4085244.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_4085244
loop_
_publ_author_name
'Goodwin, Conrad A. P.'
'Joslin, Kristian C.'
'Lockyer, Selena J.'
'Formanuik, Alasdair'
'Morris, Gareth A.'
'Ortu, Fabrizio'
'Vitorica-Yrezabal, Iñigo. J.'
'Mills, David P.'
_publ_section_title
;
 Homoleptic Trigonal Planar Lanthanide Complexes Stabilized by Superbulky
 Silylamide Ligands
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2314
_journal_paper_doi               10.1021/om501123e
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C26 H60 Li2 N2 O2 Si2'
_chemical_formula_sum            'C26 H60 Li2 N2 O2 Si2'
_chemical_formula_weight         502.82
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2014-08-07
_audit_creation_method
;
Olex2 1.2
(compiled 2014.05.21 svn.r2940 for OlexSys, GUI svn.r4846)
;
_cell_angle_alpha                101.206(11)
_cell_angle_beta                 105.344(10)
_cell_angle_gamma                91.823(10)
_cell_formula_units_Z            1
_cell_length_a                   8.4756(9)
_cell_length_b                   9.3105(13)
_cell_length_c                   11.1845(14)
_cell_measurement_reflns_used    2129
_cell_measurement_temperature    150.05(13)
_cell_measurement_theta_max      25.6200
_cell_measurement_theta_min      3.5510
_cell_volume                     831.67(19)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_diffrn_ambient_temperature      150.05(13)
_diffrn_detector_area_resol_mean 10.3705
_diffrn_measured_fraction_theta_full 0.9826
_diffrn_measured_fraction_theta_max 0.8143
_diffrn_measurement_details
;
  1 omega  -36.00   52.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -11.6555   57.0000  150.0000 88

  2 omega  -85.00   11.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -11.6555  -57.0000    0.0000 96

  3 omega   35.00  102.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       11.6555  178.0000    0.0000 67
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0388084000
_diffrn_orient_matrix_UB_12      -0.0661261000
_diffrn_orient_matrix_UB_13      0.0027713000
_diffrn_orient_matrix_UB_21      0.0059255000
_diffrn_orient_matrix_UB_22      -0.0046747000
_diffrn_orient_matrix_UB_23      -0.0627001000
_diffrn_orient_matrix_UB_31      0.0777709000
_diffrn_orient_matrix_UB_32      0.0410380000
_diffrn_orient_matrix_UB_33      0.0242057000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0271
_diffrn_reflns_av_unetI/netI     0.0669
_diffrn_reflns_Laue_measured_fraction_full 0.888
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5043
_diffrn_reflns_point_group_measured_fraction_full 0.888
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         3.251
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.128
_exptl_absorpt_correction_T_max  0.992
_exptl_absorpt_correction_T_min  0.990
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Analytical numeric absorption correction using a multifaceted crystal
            model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.004
_exptl_crystal_description       Block
_exptl_crystal_F_000             280
_exptl_crystal_size_max          0.2761
_exptl_crystal_size_mid          0.2099
_exptl_crystal_size_min          0.1876
_refine_diff_density_max         0.264
_refine_diff_density_min         -0.372
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     200
_refine_ls_number_reflns         2902
_refine_ls_number_restraints     178
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0806
_refine_ls_R_factor_gt           0.0593
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0362P)²+0.5405P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1178
_refine_ls_wR_factor_ref         0.1379
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2312
_reflns_number_total             2902
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om501123e_si_002.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 4085243--4085254.cif.'
_cod_database_code               4085244
#BEGIN Tags that were not found in dictionaries:
_manchester_internal_coll_name   adpm5
_manchester_internal_coll_client CAPG/SL/DPM
_manchester_internal_coll_type   custom
_manchester_internal_coll_frame_time 5.00
_manchester_internal_coll_frame_width 1
_manchester_internal_coll_frame_method '\w scans'
_manchester_internal_coll_user   CAPG
_manchester_internal_coll_date   30/10/2013
_manchester_internal_process_user CAPG
_manchester_internal_process_date 09/11/2013
_manchester_internal_solution_user CAPG
_manchester_internal_solution_date 09/11/2013
_manchester_internal_refinement_user CAPG
_manchester_internal_refinement_date 09/11/2013
_manchester_internal_validation_user 'Inigo J. Vitorica-Yrezabal'
_manchester_internal_validation_date 07/08/14
_manchester_internal_archive_date 07/08/14
_shelxl_version_number           2014/6
_chemical_oxdiff_formula         H22C9SiNLi
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_reflns_odcompleteness_completeness 98.26
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C13-C12 \\sim C12-C11 \\sim C11-C10
 with sigma of 0.02
 C12-C11A \\sim C12-C11
 with sigma of 0.02
 C11A-C10 \\sim C11-C10
 with sigma of 0.02
 C13-C12 \\sim C12-C11A \\sim C11A-C10
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
O1 \\sim C10 \\sim C13 \\sim C12 \\sim C11A \\sim C11: within 1.7A with sigma
of 0.04 and sigma for terminal atoms of 0.08
C13 \\sim C13A \\sim C12A \\sim C12 \\sim C11A \\sim C11 \\sim C10A \\sim C10:
within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
4. Rigid body (RIGU) restrains
 C10, C11, C12, C13, O1
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C10A, O1A, C13A, C12A, C11A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(C11A)=Sof(H11C)=Sof(H11D)=Sof(C13A)=Sof(H13C)=Sof(H13D)=Sof(C12A)=
 Sof(H12C)=Sof(H12D)=Sof(C10A)=Sof(H10C)=Sof(H10D)=Sof(O1A)=1-FVAR(1)
 Sof(C10)=Sof(H10A)=Sof(H10B)=Sof(C12)=Sof(H12A)=Sof(H12B)=Sof(C13)=Sof(H13A)=
 Sof(H13B)=Sof(O1)=Sof(C11)=Sof(H11A)=Sof(H11B)=FVAR(1)
6.a Ternary CH refined with riding coordinates:
 C1(H1), C4(H4), C7(H7), N1(H1A)
6.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C12(H12A,H12B), C13(H13A,H13B), C11(H11A,H11B), C11A(H11C,
 H11D), C13A(H13C,H13D), C12A(H12C,H12D), C10A(H10C,H10D)
6.c Me refined with riding coordinates:
 C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C8(H8A,
 H8B,H8C), C9(H9A,H9B,H9C)
;
_olex2_submission_special_instructions 'No special instructions were received'
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3970(3) 0.1574(3) 0.8369(2) 0.0371(7) Uani 1 1 d . . . .
H1 H 0.3160 0.1032 0.8637 0.045 Uiso 1 1 calc R . . .
C2 C 0.5276(4) 0.0509(3) 0.8217(3) 0.0506(8) Uani 1 1 d . . . .
H2A H 0.4810 -0.0297 0.7517 0.076 Uiso 1 1 calc R . . .
H2B H 0.6182 0.1014 0.8061 0.076 Uiso 1 1 calc R . . .
H2C H 0.5655 0.0142 0.8979 0.076 Uiso 1 1 calc R . . .
C3 C 0.4700(4) 0.2868(3) 0.9487(3) 0.0584(9) Uani 1 1 d . . . .
H3A H 0.3873 0.3531 0.9575 0.088 Uiso 1 1 calc R . . .
H3B H 0.5078 0.2506 1.0251 0.088 Uiso 1 1 calc R . . .
H3C H 0.5605 0.3377 0.9332 0.088 Uiso 1 1 calc R . . .
C4 C 0.1129(3) 0.3215(3) 0.7205(2) 0.0372(7) Uani 1 1 d . . . .
H4 H 0.1687 0.4113 0.7803 0.045 Uiso 1 1 calc R . . .
C5 C 0.0041(4) 0.2501(4) 0.7839(3) 0.0598(9) Uani 1 1 d . . . .
H5A H 0.0710 0.2197 0.8568 0.090 Uiso 1 1 calc R . . .
H5B H -0.0682 0.3193 0.8099 0.090 Uiso 1 1 calc R . . .
H5C H -0.0597 0.1659 0.7252 0.090 Uiso 1 1 calc R . . .
C6 C 0.0032(4) 0.3685(4) 0.6053(3) 0.0586(9) Uani 1 1 d . . . .
H6A H 0.0701 0.4142 0.5636 0.088 Uiso 1 1 calc R . . .
H6B H -0.0605 0.2837 0.5475 0.088 Uiso 1 1 calc R . . .
H6C H -0.0691 0.4371 0.6322 0.088 Uiso 1 1 calc R . . .
C7 C 0.4095(4) 0.3213(3) 0.6166(3) 0.0455(7) Uani 1 1 d . . . .
H7 H 0.3320 0.3500 0.5450 0.055 Uiso 1 1 calc R . . .
C8 C 0.4940(5) 0.4664(4) 0.7027(4) 0.0836(13) Uani 1 1 d . . . .
H8A H 0.4161 0.5192 0.7386 0.125 Uiso 1 1 calc R . . .
H8B H 0.5827 0.4469 0.7696 0.125 Uiso 1 1 calc R . . .
H8C H 0.5363 0.5244 0.6541 0.125 Uiso 1 1 calc R . . .
C9 C 0.5310(4) 0.2344(4) 0.5579(3) 0.0617(9) Uani 1 1 d . . . .
H9A H 0.4758 0.1437 0.5042 0.093 Uiso 1 1 calc R . . .
H9B H 0.5735 0.2914 0.5086 0.093 Uiso 1 1 calc R . . .
H9C H 0.6198 0.2138 0.6241 0.093 Uiso 1 1 calc R . . .
C10 C 0.1685(11) 0.2095(11) 0.2666(8) 0.0513(18) Uani 0.70(2) 1 d . P A 1
H10A H 0.2283 0.1226 0.2592 0.062 Uiso 0.70(2) 1 calc R P A 1
H10B H 0.2381 0.2868 0.3320 0.062 Uiso 0.70(2) 1 calc R P A 1
C12 C -0.0555(11) 0.2720(9) 0.1075(9) 0.0568(19) Uani 0.70(2) 1 d . P A 1
H12A H -0.1091 0.2084 0.0261 0.068 Uiso 0.70(2) 1 calc R P A 1
H12B H -0.0773 0.3726 0.1023 0.068 Uiso 0.70(2) 1 calc R P A 1
C13 C -0.1202(13) 0.2260(12) 0.2142(9) 0.0411(19) Uani 0.70(2) 1 d . P A 1
H13A H -0.1624 0.3085 0.2599 0.049 Uiso 0.70(2) 1 calc R P A 1
H13B H -0.2068 0.1465 0.1788 0.049 Uiso 0.70(2) 1 calc R P A 1
Li1 Li 0.0051(6) 0.0674(5) 0.4197(4) 0.0407(11) Uani 1 1 d . . . .
N1 N 0.1844(2) 0.0527(2) 0.57128(18) 0.0317(5) Uani 1 1 d . . . .
H1A H 0.2660 -0.0101 0.5467 0.038 Uiso 1 1 calc R . . .
O1 O 0.0220(15) 0.1783(15) 0.2976(10) 0.0398(19) Uani 0.70(2) 1 d . P A 1
Si1 Si 0.27793(8) 0.20406(7) 0.68120(6) 0.0308(2) Uani 1 1 d . . . .
C11 C 0.1207(8) 0.2583(18) 0.1409(8) 0.093(3) Uani 0.70(2) 1 d . P A 1
H11A H 0.1799 0.3520 0.1484 0.112 Uiso 0.70(2) 1 calc R P A 1
H11B H 0.1479 0.1866 0.0757 0.112 Uiso 0.70(2) 1 calc R P A 1
C11A C 0.1074(18) 0.188(2) 0.1218(11) 0.050(4) Uani 0.30(2) 1 d . P A 2
H11C H 0.1229 0.1010 0.0638 0.059 Uiso 0.30(2) 1 calc R P A 2
H11D H 0.1757 0.2703 0.1156 0.059 Uiso 0.30(2) 1 calc R P A 2
C13A C -0.116(3) 0.203(3) 0.182(2) 0.049(5) Uani 0.30(2) 1 d . P A 2
H13C H -0.2146 0.1353 0.1520 0.059 Uiso 0.30(2) 1 calc R P A 2
H13D H -0.1437 0.2966 0.2228 0.059 Uiso 0.30(2) 1 calc R P A 2
C12A C -0.062(2) 0.218(3) 0.092(2) 0.069(5) Uani 0.30(2) 1 d . P A 2
H12C H -0.0726 0.3173 0.0780 0.083 Uiso 0.30(2) 1 calc R P A 2
H12D H -0.1245 0.1503 0.0148 0.083 Uiso 0.30(2) 1 calc R P A 2
C10A C 0.142(2) 0.169(3) 0.225(2) 0.052(4) Uani 0.30(2) 1 d . P A 2
H10C H 0.2116 0.2540 0.2810 0.062 Uiso 0.30(2) 1 calc R P A 2
H10D H 0.2047 0.0842 0.2293 0.062 Uiso 0.30(2) 1 calc R P A 2
O1A O 0.004(3) 0.148(3) 0.269(2) 0.037(4) Uani 0.30(2) 1 d . P A 2
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'
Li Li -0.0003 0.0001 '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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
11 -5 -1 0.1108 10.9932 -4.9903 -0.9950 0.7539 0.1509 0.6261
-9 -3 12 0.1351 -8.9898 -3.0008 11.9867 -0.1172 -0.7908 -0.5322
4 -12 -2 0.0827 3.9979 -11.9810 -1.9951 0.9419 0.2048 -0.2291
-7 11 1 0.1135 -6.9963 10.9822 0.9953 -0.9950 -0.1552 -0.0693
-9 -8 2 0.0910 -8.9929 -7.9905 1.9968 0.1849 -0.1411 -0.9790
1 12 1 0.1252 0.9987 11.9822 0.9975 -0.7508 -0.1126 0.5935
-1 2 14 0.1230 -0.9946 1.9927 13.9864 -0.1316 -0.8922 0.3430
-1 11 -11 0.0628 -1.0043 10.9869 -10.9919 -0.7960 0.6319 0.1067
1 -2 -14 0.0779 0.9946 -1.9927 -13.9864 0.1316 0.8922 -0.3430
10 5 1 0.1477 9.9937 4.9942 1.0012 0.0604 -0.0269 1.0064
-1 -8 14 0.1134 -0.9937 -7.9926 13.9880 0.5287 -0.8456 -0.0667
-3 8 10 0.1136 -2.9953 7.9847 9.9886 -0.6166 -0.6814 0.3365
12 -3 -4 0.0951 11.9913 -2.9921 -3.9923 0.6522 0.3354 0.7131
9 -3 7 0.1476 8.9971 -2.9960 6.9966 0.5667 -0.3714 0.7461
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
C2 C1 H1 105.1 . .
C2 C1 C3 110.0(2) . .
C2 C1 Si1 113.34(19) . .
C3 C1 H1 105.1 . .
C3 C1 Si1 116.98(18) . .
Si1 C1 H1 105.1 . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2B 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C1 C3 H3A 109.5 . .
C1 C3 H3B 109.5 . .
C1 C3 H3C 109.5 . .
H3A C3 H3B 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C5 C4 H4 107.1 . .
C5 C4 C6 108.2(2) . .
C5 C4 Si1 113.74(19) . .
C6 C4 H4 107.1 . .
C6 C4 Si1 113.1(2) . .
Si1 C4 H4 107.1 . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5B 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C4 C6 H6A 109.5 . .
C4 C6 H6B 109.5 . .
C4 C6 H6C 109.5 . .
H6A C6 H6B 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C8 C7 H7 104.6 . .
C8 C7 C9 110.7(3) . .
C8 C7 Si1 117.6(2) . .
C9 C7 H7 104.6 . .
C9 C7 Si1 113.3(2) . .
Si1 C7 H7 104.6 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8B 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9B 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
H10A C10 H10B 108.5 . .
O1 C10 H10A 110.3 . .
O1 C10 H10B 110.3 . .
O1 C10 C11 107.3(7) . .
C11 C10 H10A 110.3 . .
C11 C10 H10B 110.3 . .
H12A C12 H12B 108.6 . .
C13 C12 H12A 110.4 . .
C13 C12 H12B 110.4 . .
C11 C12 H12A 110.4 . .
C11 C12 H12B 110.4 . .
C11 C12 C13 106.8(7) . .
C12 C13 H13A 110.8 . .
C12 C13 H13B 110.8 . .
H13A C13 H13B 108.8 . .
O1 C13 C12 104.9(8) . .
O1 C13 H13A 110.8 . .
O1 C13 H13B 110.8 . .
N1 Li1 Li1 52.15(17) . 2_556
N1 Li1 Li1 53.01(19) 2_556 2_556
N1 Li1 N1 105.2(2) 2_556 .
N1 Li1 O1A 121.9(8) 2_556 .
O1 Li1 Li1 177.5(5) . 2_556
O1 Li1 N1 125.4(4) . .
O1 Li1 N1 129.5(4) . 2_556
O1A Li1 Li1 170.9(9) . 2_556
O1A Li1 N1 132.1(8) . .
Li1 N1 Li1 74.8(2) 2_556 .
Li1 N1 H1A 110.5 . .
Li1 N1 H1A 110.5 2_556 .
Si1 N1 Li1 121.38(17) . .
Si1 N1 Li1 124.54(18) . 2_556
Si1 N1 H1A 110.5 . .
C10 O1 C13 112.1(8) . .
C10 O1 Li1 124.6(8) . .
C13 O1 Li1 122.9(9) . .
C4 Si1 C1 105.80(12) . .
C4 Si1 C7 106.31(13) . .
C7 Si1 C1 112.36(13) . .
N1 Si1 C1 112.38(11) . .
N1 Si1 C4 107.98(11) . .
N1 Si1 C7 111.57(12) . .
C10 C11 H11A 110.1 . .
C10 C11 H11B 110.1 . .
C12 C11 C10 108.0(6) . .
C12 C11 H11A 110.1 . .
C12 C11 H11B 110.1 . .
H11A C11 H11B 108.4 . .
H11C C11A H11D 108.6 . .
C12A C11A H11C 110.4 . .
C12A C11A H11D 110.4 . .
C10A C11A H11C 110.4 . .
C10A C11A H11D 110.4 . .
C10A C11A C12A 106.6(16) . .
H13C C13A H13D 108.3 . .
C12A C13A H13C 109.9 . .
C12A C13A H13D 109.9 . .
C12A C13A O1A 109(2) . .
O1A C13A H13C 109.9 . .
O1A C13A H13D 109.9 . .
C11A C12A H12C 110.1 . .
C11A C12A H12D 110.1 . .
C13A C12A C11A 107.9(19) . .
C13A C12A H12C 110.1 . .
C13A C12A H12D 110.1 . .
H12C C12A H12D 108.4 . .
C11A C10A H10C 109.0 . .
C11A C10A H10D 109.0 . .
C11A C10A O1A 112.8(16) . .
H10C C10A H10D 107.8 . .
O1A C10A H10C 109.0 . .
O1A C10A H10D 109.0 . .
C13A O1A Li1 134(2) . .
C13A O1A C10A 101(2) . .
C10A O1A Li1 125.0(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 H1 0.9800 .
C1 C2 1.530(4) .
C1 C3 1.534(3) .
C1 Si1 1.906(3) .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
C4 H4 0.9800 .
C4 C5 1.513(4) .
C4 C6 1.525(4) .
C4 Si1 1.892(3) .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 H7 0.9800 .
C7 C8 1.528(4) .
C7 C9 1.533(4) .
C7 Si1 1.900(3) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C10 O1 1.411(12) .
C10 C11 1.518(10) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C12 C13 1.562(10) .
C12 C11 1.456(10) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C13 O1 1.456(13) .
Li1 Li1 2.399(9) 2_556
Li1 N1 1.963(5) 2_556
Li1 N1 1.985(5) .
Li1 O1 1.897(12) .
Li1 O1A 1.97(3) .
N1 Li1 1.963(5) 2_556
N1 H1A 0.9800 .
N1 Si1 1.693(2) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C11A H11C 0.9700 .
C11A H11D 0.9700 .
C11A C12A 1.44(2) .
C11A C10A 1.16(2) .
C13A H13C 0.9700 .
C13A H13D 0.9700 .
C13A C12A 1.25(3) .
C13A O1A 1.39(3) .
C12A H12C 0.9700 .
C12A H12D 0.9700 .
C10A H10C 0.9700 .
C10A H10D 0.9700 .
C10A O1A 1.41(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
C5 C4 Si1 C1 -55.5(2) .
C5 C4 Si1 C7 -175.13(19) .
C5 C4 Si1 N1 65.0(2) .
C6 C4 Si1 C1 -179.4(2) .
C6 C4 Si1 C7 60.9(2) .
C6 C4 Si1 N1 -58.9(2) .
C12 C13 O1 C10 8.8(11) .
C12 C13 O1 Li1 -164.5(7) .
C13 C12 C11 C10 -1.6(10) .
Li1 N1 Si1 C1 70.3(2) 2_556
Li1 N1 Si1 C1 163.0(2) .
Li1 N1 Si1 C4 46.7(2) .
Li1 N1 Si1 C4 -46.0(2) 2_556
Li1 N1 Si1 C7 -162.5(2) 2_556
Li1 N1 Si1 C7 -69.7(2) .
N1 Li1 O1 C10 -152.2(7) 2_556
N1 Li1 O1 C10 28.7(11) .
N1 Li1 O1 C13 20.2(12) 2_556
N1 Li1 O1 C13 -158.9(7) .
O1 C10 C11 C12 6.9(11) .
C11 C10 O1 C13 -9.9(12) .
C11 C10 O1 Li1 163.2(7) .
C11 C12 C13 O1 -4.0(10) .
C11A C10A O1A Li1 164.7(18) .
C11A C10A O1A C13A -18(3) .
C12A C11A C10A O1A 14(3) .
C12A C13A O1A Li1 -169(2) .
C12A C13A O1A C10A 13(3) .
C10A C11A C12A C13A -5(3) .
O1A C13A C12A C11A -6(3) .
