#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/76/4327621.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_4327621
loop_
_publ_author_name
'Christian H. Galka'
'Dominique J. M. Trösch'
'Ina Rüdenauer'
'Lutz H. Gade'
'Ian Scowen'
'Mary McPartlin'
_publ_contact_author
; 
        Prof. Dr. Lutz H. Gade 
        Laboratoire de Chimie Organometallique et de Catalyse (UMR 7513) 
        Institut LeBel 
        Universite Louis Pasteur 
        4, rue Blaise Pascal 
        67070 Strasbourg 
        France 
;
_publ_contact_author_email       gade@chimie.u-strasbg.fr
_publ_contact_author_fax         '0033 388 416 045'
_publ_contact_author_phone       '0033 388 415 325'
_publ_section_title
;
 Synthesis and Structural Characterization of Metalated
 1,8-Bis(silylamino)naphthalene Derivatives
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4615
_journal_page_last               4620
_journal_paper_doi               10.1021/ic000296+
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C42.5 H68 Li2 N5 Si2'
_chemical_formula_weight         719.08
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                97.030(14)
_cell_angle_beta                 95.118(14)
_cell_angle_gamma                90.331(15)
_cell_formula_units_Z            2
_cell_length_a                   11.645(3)
_cell_length_b                   12.173(3)
_cell_length_c                   15.959(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     2236.0(10)
_computing_cell_refinement       'CAD4 (Enraf-Nonius)'
_computing_data_collection       'CAD4 (Enraf-Nonius)'
_computing_data_reduction        'BEGIN (SDP)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CAD4 (Enraf-Nonius)'
_diffrn_measurement_method       'Omega/Theta 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  0.0314
_diffrn_reflns_av_sigmaI/netI    0.0380
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5294
_diffrn_reflns_theta_full        21.00
_diffrn_reflns_theta_max         21.00
_diffrn_reflns_theta_min         2.08
_diffrn_standards_decay_%        0.3
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.112
_exptl_absorpt_correction_T_max  0.9996
_exptl_absorpt_correction_T_min  0.8720
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
; 
 empirical absorption correction by psi-scans from 10 reflections 
 with chi-angles near 90 degrees 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.068
_exptl_crystal_description       prism
_exptl_crystal_F_000             784
_exptl_crystal_size_max          0.8
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.4
_refine_diff_density_max         0.390
_refine_diff_density_min         -0.328
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     502
_refine_ls_number_reflns         4795
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.1006
_refine_ls_R_factor_gt           0.0709
_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)+(0.1217P)²+1.3937P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1878
_refine_ls_wR_factor_ref         0.2114
_reflns_number_gt                3460
_reflns_number_total             4795
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0002962B_2.cif
_cod_data_source_block           3
_cod_original_cell_volume        2235.8(9)
_cod_original_formula_sum        'C42.50 H68 Li2 N5 Si2'
_cod_database_code               4327621
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
Si1 Si 0.21905(11) 0.27128(10) 0.37653(7) 0.0492(4) Uani 1 1 d D . .
Si2 Si 0.26718(12) -0.20389(10) 0.32469(8) 0.0545(4) Uani 1 1 d D . .
N1 N 0.1699(3) 0.1437(3) 0.33105(19) 0.0392(8) Uani 1 1 d D . .
N2 N 0.1925(3) -0.0874(3) 0.3066(2) 0.0427(9) Uani 1 1 d D . .
Li1 Li 0.2593(6) 0.0390(6) 0.2457(4) 0.0473(17) Uani 1 1 d . B .
Li2 Li 0.1977(6) 0.0278(6) 0.4049(4) 0.0491(18) Uani 1 1 d . C .
C1 C 0.0626(3) 0.1239(3) 0.2863(2) 0.0383(10) Uani 1 1 d D . .
C2 C -0.0101(3) 0.2119(4) 0.2703(3) 0.0475(11) Uani 1 1 d D . .
H2 H 0.0149 0.2849 0.2926 0.057 Uiso 1 1 calc R . .
C3 C -0.1169(4) 0.1979(4) 0.2236(3) 0.0520(12) Uani 1 1 d D . .
H3 H -0.1627 0.2605 0.2149 0.062 Uiso 1 1 calc R . .
C4 C -0.1559(4) 0.0957(4) 0.1904(3) 0.0516(12) Uani 1 1 d D . .
H4 H -0.2282 0.0875 0.1575 0.062 Uiso 1 1 calc R . .
C5 C -0.0909(3) 0.0011(3) 0.2038(2) 0.0426(11) Uani 1 1 d D . .
C6 C 0.0202(3) 0.0118(3) 0.2518(2) 0.0382(10) Uani 1 1 d D . .
C7 C 0.0833(3) -0.0901(3) 0.2630(2) 0.0394(10) Uani 1 1 d D . .
C8 C 0.0300(4) -0.1894(4) 0.2267(3) 0.0502(11) Uani 1 1 d D . .
H8 H 0.0691 -0.2563 0.2341 0.060 Uiso 1 1 calc R . .
C9 C -0.0763(4) -0.1962(4) 0.1806(3) 0.0591(13) Uani 1 1 d D . .
H9 H -0.1079 -0.2665 0.1571 0.071 Uiso 1 1 calc R . .
C10 C -0.1366(4) -0.1027(4) 0.1686(3) 0.0540(12) Uani 1 1 d D . .
H10 H -0.2095 -0.1080 0.1364 0.065 Uiso 1 1 calc R . .
C11 C 0.3558(4) 0.2452(4) 0.4422(3) 0.0660(14) Uani 1 1 d . . .
H11A H 0.3384 0.2006 0.4867 0.099 Uiso 1 1 calc R . .
H11B H 0.3910 0.3160 0.4682 0.099 Uiso 1 1 calc R . .
H11C H 0.4095 0.2053 0.4060 0.099 Uiso 1 1 calc R . .
C12 C 0.2546(4) 0.3673(4) 0.2995(3) 0.0667(14) Uani 1 1 d . . .
H12A H 0.3051 0.3301 0.2594 0.100 Uiso 1 1 calc R . .
H12B H 0.2939 0.4336 0.3301 0.100 Uiso 1 1 calc R . .
H12C H 0.1834 0.3885 0.2684 0.100 Uiso 1 1 calc R . .
C13 C 0.1215(5) 0.3490(4) 0.4506(3) 0.0740(15) Uani 1 1 d . . .
H13A H 0.0917 0.4142 0.4260 0.111 Uiso 1 1 calc R . .
H13B H 0.1651 0.3725 0.5053 0.111 Uiso 1 1 calc R . .
H13C H 0.0570 0.3006 0.4589 0.111 Uiso 1 1 calc R . .
C21 C 0.1908(6) -0.3074(4) 0.3796(4) 0.0896(19) Uani 1 1 d . . .
H21A H 0.1315 -0.2699 0.4120 0.134 Uiso 1 1 calc R . .
H21B H 0.2465 -0.3409 0.4181 0.134 Uiso 1 1 calc R . .
H21C H 0.1544 -0.3652 0.3372 0.134 Uiso 1 1 calc R . .
C22 C 0.3181(5) -0.2844(4) 0.2276(3) 0.0728(15) Uani 1 1 d . . .
H22A H 0.2563 -0.2893 0.1814 0.109 Uiso 1 1 calc R . .
H22B H 0.3390 -0.3590 0.2399 0.109 Uiso 1 1 calc R . .
H22C H 0.3856 -0.2469 0.2109 0.109 Uiso 1 1 calc R . .
C23 C 0.3983(5) -0.1531(5) 0.3964(3) 0.0785(17) Uani 1 1 d . . .
H23A H 0.4386 -0.0964 0.3709 0.118 Uiso 1 1 calc R . .
H23B H 0.4498 -0.2151 0.4040 0.118 Uiso 1 1 calc R . .
H23C H 0.3748 -0.1213 0.4515 0.118 Uiso 1 1 calc R . .
N3 N 0.4450(3) 0.0641(3) 0.2113(2) 0.0588(11) Uani 1 1 d . . .
N4 N 0.2205(3) 0.0335(3) 0.1067(2) 0.0519(10) Uani 1 1 d . . .
C33 C 0.3332(4) 0.0388(5) 0.0715(3) 0.0740(16) Uani 1 1 d . B .
H33A H 0.3620 -0.0373 0.0597 0.089 Uiso 0.75 1 calc PR A 1
H33B H 0.3221 0.0698 0.0169 0.089 Uiso 0.75 1 calc PR A 1
H33C H 0.3296 -0.0116 0.0177 0.089 Uiso 0.25 1 calc PR A 2
H33D H 0.3449 0.1149 0.0576 0.089 Uiso 0.25 1 calc PR A 2
C34 C 0.1518(4) 0.1303(4) 0.0900(3) 0.0653(14) Uani 1 1 d . B .
H34A H 0.1425 0.1346 0.0289 0.098 Uiso 1 1 calc R . .
H34B H 0.1912 0.1976 0.1191 0.098 Uiso 1 1 calc R . .
H34C H 0.0758 0.1235 0.1110 0.098 Uiso 1 1 calc R . .
C35 C 0.1579(5) -0.0655(4) 0.0651(3) 0.0724(15) Uani 1 1 d . B .
H35A H 0.1468 -0.0618 0.0039 0.109 Uiso 1 1 calc R . .
H35B H 0.0826 -0.0698 0.0876 0.109 Uiso 1 1 calc R . .
H35C H 0.2023 -0.1313 0.0758 0.109 Uiso 1 1 calc R . .
C30 C 0.5091(7) -0.0355(7) 0.2050(6) 0.081(2) Uani 0.75 1 d P B 1
H30A H 0.5813 -0.0230 0.1802 0.121 Uiso 0.75 1 calc PR B 1
H30B H 0.4637 -0.0940 0.1688 0.121 Uiso 0.75 1 calc PR B 1
H30C H 0.5263 -0.0580 0.2616 0.121 Uiso 0.75 1 calc PR B 1
C31 C 0.5171(7) 0.1527(8) 0.2635(7) 0.083(3) Uani 0.75 1 d P B 1
H31A H 0.5886 0.1626 0.2371 0.125 Uiso 0.75 1 calc PR B 1
H31B H 0.5356 0.1318 0.3205 0.125 Uiso 0.75 1 calc PR B 1
H31C H 0.4746 0.2221 0.2674 0.125 Uiso 0.75 1 calc PR B 1
C32 C 0.4198(6) 0.1052(6) 0.1268(4) 0.0656(19) Uani 0.75 1 d P B 1
H32A H 0.3931 0.1824 0.1358 0.079 Uiso 0.75 1 calc PR B 1
H32B H 0.4919 0.1055 0.0983 0.079 Uiso 0.75 1 calc PR B 1
C30' C 0.535(3) -0.015(2) 0.2568(18) 0.092(10) Uiso 0.25 1 d P B 2
H30D H 0.6099 -0.0100 0.2346 0.138 Uiso 0.25 1 calc PR B 2
H30E H 0.5059 -0.0921 0.2453 0.138 Uiso 0.25 1 calc PR B 2
H30F H 0.5423 0.0075 0.3181 0.138 Uiso 0.25 1 calc PR B 2
C31' C 0.490(3) 0.168(3) 0.2263(18) 0.080(11) Uiso 0.25 1 d P B 2
H31D H 0.5079 0.1888 0.2875 0.120 Uiso 0.25 1 calc PR B 2
H31E H 0.4348 0.2203 0.2043 0.120 Uiso 0.25 1 calc PR B 2
H31F H 0.5615 0.1715 0.1980 0.120 Uiso 0.25 1 calc PR B 2
C32' C 0.4269(17) 0.0125(19) 0.1216(12) 0.060(5) Uiso 0.25 1 d P B 2
H32C H 0.4960 0.0299 0.0935 0.072 Uiso 0.25 1 calc PR B 2
H32D H 0.4247 -0.0688 0.1221 0.072 Uiso 0.25 1 calc PR B 2
N5 N 0.1606(3) 0.0189(3) 0.5334(2) 0.0537(10) Uani 1 1 d . . .
C40 C 0.2391(12) -0.0577(12) 0.5745(7) 0.073(4) Uani 0.50 1 d P C 3
H40A H 0.2208 -0.0596 0.6330 0.109 Uiso 0.50 1 calc PR C 3
H40B H 0.3190 -0.0322 0.5743 0.109 Uiso 0.50 1 calc PR C 3
H40C H 0.2294 -0.1322 0.5433 0.109 Uiso 0.50 1 calc PR C 3
C41 C 0.1679(15) 0.1265(11) 0.5899(7) 0.077(4) Uani 0.50 1 d P C 3
H41A H 0.1388 0.1162 0.6442 0.116 Uiso 0.50 1 calc PR C 3
H41B H 0.1213 0.1815 0.5630 0.116 Uiso 0.50 1 calc PR C 3
H41C H 0.2484 0.1523 0.5996 0.116 Uiso 0.50 1 calc PR C 3
C42 C 0.0438(9) -0.0317(10) 0.5230(6) 0.059(3) Uani 0.50 1 d P . 3
H42A H 0.0190 -0.0390 0.5798 0.071 Uiso 0.50 1 calc PR . 3
H42B H 0.0472 -0.1071 0.4922 0.071 Uiso 0.50 1 calc PR . 3
C40' C 0.1840(10) -0.0860(11) 0.5688(9) 0.062(4) Uiso 0.50 1 d P C 4
H40D H 0.1524 -0.0831 0.6239 0.094 Uiso 0.50 1 calc PR C 4
H40E H 0.2674 -0.0969 0.5760 0.094 Uiso 0.50 1 calc PR C 4
H40F H 0.1476 -0.1476 0.5300 0.094 Uiso 0.50 1 calc PR C 4
C41' C 0.2200(13) 0.1057(14) 0.5933(12) 0.081(6) Uiso 0.50 1 d P C 4
H41D H 0.1868 0.1094 0.6479 0.122 Uiso 0.50 1 calc PR C 4
H41E H 0.2108 0.1770 0.5711 0.122 Uiso 0.50 1 calc PR C 4
H41F H 0.3021 0.0888 0.6010 0.122 Uiso 0.50 1 calc PR C 4
C42' C 0.0353(9) 0.0433(10) 0.5317(7) 0.050(3) Uiso 0.50 1 d P . 4
H42C H 0.0218 0.1181 0.5149 0.060 Uiso 0.50 1 calc PR . 4
H42D H 0.0097 0.0422 0.5891 0.060 Uiso 0.50 1 calc PR . 4
C50 C 0.8755(13) 0.5398(12) 0.2991(8) 0.266(8) Uani 1 1 d . . .
H50A H 0.8670 0.6060 0.2699 0.399 Uiso 1 1 calc R . .
H50B H 0.8989 0.4776 0.2597 0.399 Uiso 1 1 calc R . .
H50C H 0.9343 0.5540 0.3472 0.399 Uiso 1 1 calc R . .
C51 C 0.7789(6) 0.5161(7) 0.3261(4) 0.122(3) Uani 1 1 d G . .
C52 C 0.6920(10) 0.5905(5) 0.3099(4) 0.238(9) Uani 1 1 d G . .
H52 H 0.7065 0.6511 0.2799 0.285 Uiso 1 1 calc R . .
C53 C 0.5837(8) 0.5761(7) 0.3377(5) 0.228(9) Uani 1 1 d G . .
H53 H 0.5243 0.6269 0.3267 0.274 Uiso 1 1 calc R . .
C54 C 0.5625(5) 0.4874(8) 0.3817(5) 0.218(8) Uani 1 1 d G . .
H54 H 0.4885 0.4776 0.4007 0.262 Uiso 1 1 calc R . .
C55 C 0.6495(8) 0.4131(6) 0.3978(4) 0.170(4) Uani 1 1 d G . .
H55 H 0.6349 0.3525 0.4278 0.204 Uiso 1 1 calc R . .
C56 C 0.7577(6) 0.4274(5) 0.3700(4) 0.121(3) Uani 1 1 d G . .
H56 H 0.8171 0.3766 0.3810 0.145 Uiso 1 1 calc R . .
C60 C 0.6548(6) 0.3568(7) 0.0910(6) 0.150(4) Uani 1 1 d . . .
H60A H 0.6805 0.2802 0.0805 0.225 Uiso 1 1 calc R . .
H60B H 0.6627 0.3812 0.1521 0.225 Uiso 1 1 calc R . .
H60C H 0.7021 0.4047 0.0623 0.225 Uiso 1 1 calc R . .
C61 C 0.5340(3) 0.3630(3) 0.0582(3) 0.0869(18) Uani 1 1 d G . .
C62 C 0.4989(4) 0.3117(3) -0.0228(3) 0.0826(16) Uani 1 1 d G . .
H62 H 0.5533 0.2743 -0.0564 0.099 Uiso 1 1 calc R . .
C63 C 0.3840(5) 0.3150(4) -0.0545(2) 0.112(2) Uani 1 1 d G . .
H63 H 0.3599 0.2800 -0.1098 0.134 Uiso 1 1 calc R . .
C64 C 0.3043(3) 0.3698(4) -0.0052(4) 0.105(2) Uani 1 1 d G . .
H64 H 0.2258 0.3721 -0.0269 0.125 Uiso 1 1 calc R . .
C65 C 0.3394(4) 0.4211(3) 0.0758(3) 0.099(2) Uani 1 1 d G . .
H65 H 0.2850 0.4585 0.1094 0.119 Uiso 1 1 calc R . .
C66 C 0.4543(4) 0.4177(3) 0.1074(2) 0.0844(18) Uani 1 1 d G . .
H66 H 0.4784 0.4528 0.1628 0.101 Uiso 1 1 calc R . .
C71 C 0.0097(10) -0.4604(8) -0.0308(8) 0.086(4) Uani 0.50 1 d PG D -5
C72 C -0.0366(9) -0.5670(9) -0.0499(6) 0.066(6) Uani 0.50 1 d PG D -5
H72 H -0.0664 -0.5929 -0.1062 0.079 Uiso 0.50 1 calc PR D -5
C73 C -0.0394(11) -0.6355(7) 0.0135(8) 0.137(14) Uani 0.50 1 d PG D -5
H73 H -0.0711 -0.7083 0.0005 0.165 Uiso 0.50 1 calc PR D -5
C74 C 0.0041(12) -0.5974(11) 0.0960(7) 0.109(11) Uani 0.50 1 d PG D -5
H74 H 0.0022 -0.6443 0.1393 0.131 Uiso 0.50 1 calc PR D -5
C75 C 0.0505(9) -0.4909(12) 0.1150(6) 0.095(5) Uani 0.50 1 d PG D -5
H75 H 0.0803 -0.4649 0.1714 0.114 Uiso 0.50 1 calc PR D -5
C76 C 0.0533(9) -0.4224(8) 0.0516(10) 0.163(18) Uani 0.50 1 d PG D -5
H76 H 0.0850 -0.3496 0.0646 0.196 Uiso 0.50 1 calc PR D -5
C70 C 0.013(3) -0.386(3) -0.085(3) 0.30(4) Uani 0.50 1 d P D -5
H70A H 0.0494 -0.3174 -0.0559 0.447 Uiso 0.50 1 calc PR D -5
H70B H -0.0661 -0.3707 -0.1071 0.447 Uiso 0.50 1 calc PR D -5
H70C H 0.0570 -0.4148 -0.1321 0.447 Uiso 0.50 1 calc PR D -5
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'
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_3
N1 Si1 C12 114.5(2) .
N1 Si1 C11 105.17(19) .
C12 Si1 C11 107.8(2) .
N1 Si1 C13 115.6(2) .
C12 Si1 C13 106.6(2) .
C11 Si1 C13 106.7(2) .
N1 Si1 Li2 35.85(16) .
C12 Si1 Li2 144.7(2) .
C11 Si1 Li2 75.9(2) .
C13 Si1 Li2 105.6(2) .
N2 Si2 C22 114.7(2) .
N2 Si2 C23 105.2(2) .
C22 Si2 C23 107.6(2) .
N2 Si2 C21 116.1(2) .
C22 Si2 C21 105.7(2) .
C23 Si2 C21 107.1(3) .
C1 N1 Si1 123.9(3) .
C1 N1 Li2 108.3(3) .
Si1 N1 Li2 113.5(3) .
C1 N1 Li1 95.3(3) .
Si1 N1 Li1 124.0(3) .
Li2 N1 Li1 84.2(3) .
C7 N2 Si2 123.2(3) .
C7 N2 Li2 109.1(3) .
Si2 N2 Li2 114.4(3) .
C7 N2 Li1 95.6(3) .
Si2 N2 Li1 123.0(3) .
Li2 N2 Li1 83.9(3) .
N1 Li1 N2 84.0(3) .
N1 Li1 N4 121.4(3) .
N2 Li1 N4 118.6(3) .
N1 Li1 N3 126.9(4) .
N2 Li1 N3 128.8(3) .
N4 Li1 N3 82.1(3) .
N1 Li2 N2 91.4(3) .
N1 Li2 N5 131.5(4) .
N2 Li2 N5 130.8(4) .
N1 Li2 C7 78.6(2) .
N2 Li2 C7 28.48(16) .
N5 Li2 C7 125.4(3) .
N1 Li2 Si1 30.69(15) .
N2 Li2 Si1 119.1(3) .
N5 Li2 Si1 109.2(3) .
C7 Li2 Si1 109.3(2) .
N1 C1 C2 120.7(4) .
N1 C1 C6 122.5(3) .
C2 C1 C6 116.8(4) .
C3 C2 C1 123.4(4) .
C4 C3 C2 120.4(4) .
C3 C4 C5 121.0(4) .
C10 C5 C4 118.3(4) .
C10 C5 C6 121.2(4) .
C4 C5 C6 120.5(4) .
C5 C6 C7 117.6(3) .
C5 C6 C1 117.9(3) .
C7 C6 C1 124.5(3) .
C8 C7 N2 121.5(4) .
C8 C7 C6 117.0(4) .
N2 C7 C6 121.5(3) .
C8 C7 Li2 147.2(3) .
N2 C7 Li2 42.4(2) .
C6 C7 Li2 86.5(3) .
C9 C8 C7 123.7(4) .
C10 C9 C8 120.6(4) .
C9 C10 C5 119.9(4) .
C31' N3 C30 125.7(15) .
C31' N3 C31 27.8(12) .
C30 N3 C31 108.6(6) .
C31' N3 C32' 117.6(15) .
C30 N3 C32' 72.9(9) .
C31 N3 C32' 139.0(10) .
C31' N3 C32 78.0(12) .
C30 N3 C32 112.0(5) .
C31 N3 C32 105.1(6) .
C32' N3 C32 44.2(8) .
C31' N3 C30' 107.3(17) .
C30 N3 C30' 32.1(10) .
C31 N3 C30' 82.7(11) .
C32' N3 C30' 104.9(13) .
C32 N3 C30' 139.3(11) .
C31' N3 Li1 117.4(15) .
C30 N3 Li1 113.2(4) .
C31 N3 Li1 117.7(4) .
C32' N3 Li1 97.0(8) .
C32 N3 Li1 99.6(3) .
C30' N3 Li1 112.0(11) .
C35 N4 C34 108.2(4) .
C35 N4 C33 108.6(4) .
C34 N4 C33 110.5(4) .
C35 N4 Li1 115.2(3) .
C34 N4 Li1 108.4(3) .
C33 N4 Li1 105.9(3) .
C32' C33 C32 47.1(9) .
C32' C33 N4 116.5(9) .
C32 C33 N4 113.9(4) .
C33 C32 N3 113.3(5) .
C33 C32' N3 120.0(15) .
C41' N5 C40' 106.1(9) .
C41' N5 C42 134.7(8) .
C40' N5 C42 79.3(6) .
C41' N5 C40 85.3(9) .
C40' N5 C40 28.2(6) .
C42 N5 C40 107.5(8) .
C41' N5 C42' 106.5(7) .
C40' N5 C42' 110.0(7) .
C42 N5 C42' 35.9(4) .
C40 N5 C42' 135.7(8) .
C41' N5 C41 25.7(9) .
C40' N5 C41 120.4(8) .
C42 N5 C41 112.8(8) .
C40 N5 C41 106.8(9) .
C42' N5 C41 81.2(8) .
C41' N5 Li2 112.6(8) .
C40' N5 Li2 117.8(6) .
C42 N5 Li2 102.9(4) .
C40 N5 Li2 111.2(5) .
C42' N5 Li2 103.3(5) .
C41 N5 Li2 115.4(6) .
N5 C42 C42 114.1(11) 2_556
N5 C42' C42' 110.5(11) 2_556
C50 C51 C52 114.1(10) .
C50 C51 C56 125.9(10) .
C52 C51 C56 120.0 .
C51 C52 C53 120.0 .
C54 C53 C52 120.0 .
C53 C54 C55 120.0 .
C54 C55 C56 120.0 .
C55 C56 C51 120.0 .
C62 C61 C66 120.0 .
C62 C61 C60 119.2(5) .
C66 C61 C60 120.8(5) .
C63 C62 C61 120.0 .
C62 C63 C64 120.0 .
C65 C64 C63 120.0 .
C66 C65 C64 120.0 .
C65 C66 C61 120.0 .
C70 C71 C72 125(2) .
C70 C71 C76 114(2) .
C72 C71 C76 120.0 .
C73 C72 C71 120.0 .
C72 C73 C74 120.0 .
C73 C74 C75 120.0 .
C76 C75 C74 120.0 .
C75 C76 C71 120.0 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 N1 1.705(3) .
Si1 C12 1.867(5) .
Si1 C11 1.878(5) .
Si1 C13 1.887(5) .
Si1 Li2 3.065(7) .
Si2 N2 1.708(3) .
Si2 C22 1.873(5) .
Si2 C23 1.877(5) .
Si2 C21 1.882(6) .
N1 C1 1.387(5) .
N1 Li2 1.956(8) .
N1 Li1 2.099(7) .
N2 C7 1.392(5) .
N2 Li2 1.969(8) .
N2 Li1 2.100(8) .
Li1 N4 2.216(8) .
Li1 N3 2.305(8) .
Li2 N5 2.147(8) .
Li2 C7 2.759(8) .
C1 C2 1.403(5) .
C1 C6 1.473(5) .
C2 C3 1.391(6) .
C3 C4 1.350(6) .
C4 C5 1.409(6) .
C5 C10 1.400(6) .
C5 C6 1.440(5) .
C6 C7 1.467(5) .
C7 C8 1.391(5) .
C8 C9 1.380(6) .
C9 C10 1.365(6) .
N3 C31' 1.36(3) .
N3 C30 1.424(8) .
N3 C31 1.485(9) .
N3 C32' 1.488(19) .
N3 C32 1.501(8) .
N3 C30' 1.61(3) .
N4 C35 1.460(6) .
N4 C34 1.466(6) .
N4 C33 1.477(6) .
C33 C32' 1.358(19) .
C33 C32 1.451(8) .
N5 C41' 1.461(18) .
N5 C40' 1.476(13) .
N5 C42 1.477(11) .
N5 C40 1.480(12) .
N5 C42' 1.488(11) .
N5 C41 1.494(12) .
C42 C42 1.48(2) 2_556
C42' C42' 1.55(2) 2_556
C50 C51 1.282(12) .
C51 C52 1.3900 .
C51 C56 1.3900 .
C52 C53 1.3900 .
C53 C54 1.3900 .
C54 C55 1.3900 .
C55 C56 1.3900 .
C60 C61 1.462(7) .
C61 C62 1.3900 .
C61 C66 1.3900 .
C62 C63 1.3900 .
C63 C64 1.3900 .
C64 C65 1.3900 .
C65 C66 1.3900 .
C71 C70 1.33(2) .
C71 C72 1.3900 .
C71 C76 1.3900 .
C72 C73 1.3900 .
C73 C74 1.3900 .
C74 C75 1.3900 .
C75 C76 1.3900 .
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_4
C12 Si1 N1 C1 -70.8(4) .
C11 Si1 N1 C1 171.0(3) .
C13 Si1 N1 C1 53.7(4) .
Li2 Si1 N1 C1 134.8(4) .
C12 Si1 N1 Li2 154.3(3) .
C11 Si1 N1 Li2 36.2(3) .
C13 Si1 N1 Li2 -81.2(3) .
C12 Si1 N1 Li1 55.1(3) .
C11 Si1 N1 Li1 -63.0(3) .
C13 Si1 N1 Li1 179.6(3) .
Li2 Si1 N1 Li1 -99.2(4) .
C22 Si2 N2 C7 68.8(4) .
C23 Si2 N2 C7 -173.3(3) .
C21 Si2 N2 C7 -55.1(4) .
C22 Si2 N2 Li2 -154.6(3) .
C23 Si2 N2 Li2 -36.6(4) .
C21 Si2 N2 Li2 81.5(4) .
C22 Si2 N2 Li1 -55.7(4) .
C23 Si2 N2 Li1 62.3(4) .
C21 Si2 N2 Li1 -179.5(3) .
C1 N1 Li1 N2 -78.8(3) .
Si1 N1 Li1 N2 143.6(2) .
Li2 N1 Li1 N2 29.2(3) .
C1 N1 Li1 N4 41.2(4) .
Si1 N1 Li1 N4 -96.4(4) .
Li2 N1 Li1 N4 149.2(4) .
C1 N1 Li1 N3 146.2(4) .
Si1 N1 Li1 N3 8.6(5) .
Li2 N1 Li1 N3 -105.9(4) .
C7 N2 Li1 N1 79.7(3) .
Si2 N2 Li1 N1 -144.2(2) .
Li2 N2 Li1 N1 -29.0(3) .
C7 N2 Li1 N4 -43.0(4) .
Si2 N2 Li1 N4 93.1(4) .
Li2 N2 Li1 N4 -151.7(4) .
C7 N2 Li1 N3 -146.7(4) .
Si2 N2 Li1 N3 -10.6(6) .
Li2 N2 Li1 N3 104.6(4) .
C1 N1 Li2 N2 62.5(3) .
Si1 N1 Li2 N2 -155.8(2) .
Li1 N1 Li2 N2 -31.1(3) .
C1 N1 Li2 N5 -90.7(5) .
Si1 N1 Li2 N5 51.0(5) .
Li1 N1 Li2 N5 175.7(5) .
C1 N1 Li2 C7 36.9(3) .
Si1 N1 Li2 C7 178.60(19) .
Li1 N1 Li2 C7 -56.7(2) .
C1 N1 Li2 Si1 -141.7(4) .
Li1 N1 Li2 Si1 124.7(3) .
C7 N2 Li2 N1 -62.7(4) .
Si2 N2 Li2 N1 154.7(2) .
Li1 N2 Li2 N1 31.1(3) .
C7 N2 Li2 N5 90.8(5) .
Si2 N2 Li2 N5 -51.8(5) .
Li1 N2 Li2 N5 -175.3(5) .
Si2 N2 Li2 C7 -142.6(4) .
Li1 N2 Li2 C7 93.9(3) .
C7 N2 Li2 Si1 -76.6(4) .
Si2 N2 Li2 Si1 140.9(2) .
Li1 N2 Li2 Si1 17.3(3) .
C12 Si1 Li2 N1 -43.0(5) .
C11 Si1 Li2 N1 -144.0(3) .
C13 Si1 Li2 N1 112.3(3) .
N1 Si1 Li2 N2 28.0(3) .
C12 Si1 Li2 N2 -15.0(6) .
C11 Si1 Li2 N2 -116.0(4) .
C13 Si1 Li2 N2 140.2(3) .
N1 Si1 Li2 N5 -141.9(4) .
C12 Si1 Li2 N5 175.1(3) .
C11 Si1 Li2 N5 74.1(3) .
C13 Si1 Li2 N5 -29.7(3) .
N1 Si1 Li2 C7 -1.5(2) .
C12 Si1 Li2 C7 -44.5(5) .
C11 Si1 Li2 C7 -145.4(3) .
C13 Si1 Li2 C7 110.8(3) .
Si1 N1 C1 C2 4.9(5) .
Li2 N1 C1 C2 141.6(4) .
Li1 N1 C1 C2 -132.8(4) .
Si1 N1 C1 C6 -176.6(3) .
Li2 N1 C1 C6 -39.8(4) .
Li1 N1 C1 C6 45.8(4) .
N1 C1 C2 C3 177.8(4) .
C6 C1 C2 C3 -0.8(6) .
C1 C2 C3 C4 -0.3(6) .
C2 C3 C4 C5 1.4(6) .
C3 C4 C5 C10 179.2(4) .
C3 C4 C5 C6 -1.5(6) .
C10 C5 C6 C7 -0.5(5) .
C4 C5 C6 C7 -179.8(3) .
C10 C5 C6 C1 179.6(3) .
C4 C5 C6 C1 0.3(5) .
N1 C1 C6 C5 -177.9(3) .
C2 C1 C6 C5 0.8(5) .
N1 C1 C6 C7 2.2(6) .
C2 C1 C6 C7 -179.1(3) .
Si2 N2 C7 C8 -3.7(5) .
Li2 N2 C7 C8 -142.3(4) .
Li1 N2 C7 C8 132.3(4) .
Si2 N2 C7 C6 177.5(3) .
Li2 N2 C7 C6 39.0(5) .
Li1 N2 C7 C6 -46.5(4) .
Si2 N2 C7 Li2 138.6(4) .
Li1 N2 C7 Li2 -85.5(3) .
C5 C6 C7 C8 -0.5(5) .
C1 C6 C7 C8 179.4(3) .
C5 C6 C7 N2 178.3(3) .
C1 C6 C7 N2 -1.8(5) .
C5 C6 C7 Li2 -156.5(3) .
C1 C6 C7 Li2 23.4(4) .
N1 Li2 C7 C8 -170.6(5) .
N2 Li2 C7 C8 74.4(6) .
N5 Li2 C7 C8 -37.3(8) .
Si1 Li2 C7 C8 -169.8(5) .
N1 Li2 C7 N2 115.0(4) .
N5 Li2 C7 N2 -111.7(5) .
Si1 Li2 C7 N2 115.8(4) .
N1 Li2 C7 C6 -32.5(3) .
N2 Li2 C7 C6 -147.5(4) .
N5 Li2 C7 C6 100.8(4) .
Si1 Li2 C7 C6 -31.7(3) .
N2 C7 C8 C9 -177.8(4) .
C6 C7 C8 C9 1.0(6) .
Li2 C7 C8 C9 132.5(5) .
C7 C8 C9 C10 -0.5(7) .
C8 C9 C10 C5 -0.5(7) .
C4 C5 C10 C9 -179.7(4) .
C6 C5 C10 C9 1.0(6) .
N1 Li1 N3 C31' -21.0(14) .
N2 Li1 N3 C31' -136.7(14) .
N4 Li1 N3 C31' 102.7(14) .
N1 Li1 N3 C30 138.5(6) .
N2 Li1 N3 C30 22.8(7) .
N4 Li1 N3 C30 -97.8(5) .
N1 Li1 N3 C31 10.4(8) .
N2 Li1 N3 C31 -105.3(7) .
N4 Li1 N3 C31 134.1(6) .
N1 Li1 N3 C32' -147.1(9) .
N2 Li1 N3 C32' 97.2(10) .
N4 Li1 N3 C32' -23.4(9) .
N1 Li1 N3 C32 -102.5(5) .
N2 Li1 N3 C32 141.8(5) .
N4 Li1 N3 C32 21.2(4) .
N1 Li1 N3 C30' 103.7(12) .
N2 Li1 N3 C30' -12.0(13) .
N4 Li1 N3 C30' -132.6(12) .
N1 Li1 N4 C35 -106.5(5) .
N2 Li1 N4 C35 -5.3(5) .
N3 Li1 N4 C35 124.8(4) .
N1 Li1 N4 C34 14.9(5) .
N2 Li1 N4 C34 116.1(4) .
N3 Li1 N4 C34 -113.8(3) .
N1 Li1 N4 C33 133.5(4) .
N2 Li1 N4 C33 -125.4(4) .
N3 Li1 N4 C33 4.8(4) .
C35 N4 C33 C32' -105.3(12) .
C34 N4 C33 C32' 136.2(12) .
Li1 N4 C33 C32' 19.0(12) .
C35 N4 C33 C32 -157.6(5) .
C34 N4 C33 C32 83.8(6) .
Li1 N4 C33 C32 -33.3(6) .
C32' C33 C32 N3 -45.3(12) .
N4 C33 C32 N3 59.5(7) .
C31' N3 C32 C33 -163.4(16) .
C30 N3 C32 C33 72.6(7) .
C31 N3 C32 C33 -169.6(6) .
C32' N3 C32 C33 42.9(11) .
C30' N3 C32 C33 93.9(17) .
Li1 N3 C32 C33 -47.3(6) .
C32 C33 C32' N3 49.5(13) .
N4 C33 C32' N3 -49(2) .
C31' N3 C32' C33 -80(2) .
C30 N3 C32' C33 158.2(19) .
C31 N3 C32' C33 -102.8(17) .
C32 N3 C32' C33 -50.5(13) .
C30' N3 C32' C33 161.1(18) .
Li1 N3 C32' C33 46.1(17) .
N1 Li2 N5 C41' -61.3(8) .
N2 Li2 N5 C41' 155.2(7) .
C7 Li2 N5 C41' -169.0(7) .
Si1 Li2 N5 C41' -36.4(7) .
N1 Li2 N5 C40' 174.7(7) .
N2 Li2 N5 C40' 31.2(8) .
C7 Li2 N5 C40' 67.0(7) .
Si1 Li2 N5 C40' -160.4(6) .
N1 Li2 N5 C42 90.1(7) .
N2 Li2 N5 C42 -53.4(7) .
C7 Li2 N5 C42 -17.6(7) .
Si1 Li2 N5 C42 115.0(5) .
N1 Li2 N5 C40 -155.1(7) .
N2 Li2 N5 C40 61.4(8) .
C7 Li2 N5 C40 97.2(7) .
Si1 Li2 N5 C40 -130.2(7) .
N1 Li2 N5 C42' 53.3(7) .
N2 Li2 N5 C42' -90.2(7) .
C7 Li2 N5 C42' -54.4(6) .
Si1 Li2 N5 C42' 78.1(5) .
N1 Li2 N5 C41 -33.2(9) .
N2 Li2 N5 C41 -176.7(8) .
C7 Li2 N5 C41 -140.9(8) .
Si1 Li2 N5 C41 -8.4(8) .
C41' N5 C42 C42 83.2(15) 2_556
C40' N5 C42 C42 -174.7(13) 2_556
C40 N5 C42 C42 -175.8(11) 2_556
C42' N5 C42 C42 36.5(9) 2_556
C41 N5 C42 C42 66.7(13) 2_556
Li2 N5 C42 C42 -58.4(12) 2_556
C41' N5 C42' C42' 178.9(12) 2_556
C40' N5 C42' C42' -66.5(13) 2_556
C42 N5 C42' C42' -33.7(8) 2_556
C40 N5 C42' C42' -80.7(15) 2_556
C41 N5 C42' C42' 174.2(13) 2_556
Li2 N5 C42' C42' 60.0(12) 2_556
C50 C51 C52 C53 -178.3(8) .
C56 C51 C52 C53 0.0 .
C51 C52 C53 C54 0.0 .
C52 C53 C54 C55 0.0 .
C53 C54 C55 C56 0.0 .
C54 C55 C56 C51 0.0 .
C50 C51 C56 C55 178.1(9) .
C52 C51 C56 C55 0.0 .
C66 C61 C62 C63 0.0 .
C60 C61 C62 C63 178.9(4) .
C61 C62 C63 C64 0.0 .
C62 C63 C64 C65 0.0 .
C63 C64 C65 C66 0.0 .
C64 C65 C66 C61 0.0 .
C62 C61 C66 C65 0.0 .
C60 C61 C66 C65 -178.9(5) .
C70 C71 C72 C73 -177(3) .
C76 C71 C72 C73 0.0 .
C71 C72 C73 C74 0.0 .
C72 C73 C74 C75 0.0 .
C73 C74 C75 C76 0.0 .
C74 C75 C76 C71 0.0 .
C70 C71 C76 C75 177(2) .
C72 C71 C76 C75 0.0 .
