#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:06:29 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179362 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/59/4325917.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_4325917
loop_
_publ_author_name
'Dongming Yang'
'Yuqiang Ding'
'Haishun Wu'
'Wenjun Zheng'
_publ_section_title
;
 Synthesis and Structural Characterization of Alkaline-Earth-Metal
 Bis(amido)silane and Lithium Oxobis(aminolato)silane Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7698
_journal_page_last               7706
_journal_paper_doi               10.1021/ic200748z
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C55 H87 Li2 Mg N4 Si2'
_chemical_formula_weight         898.66
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 99.613(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.288(10)
_cell_length_b                   20.967(17)
_cell_length_c                   20.419(16)
_cell_measurement_reflns_used    923
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.412
_cell_measurement_theta_min      2.488
_cell_volume                     5609(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0748
_diffrn_reflns_av_sigmaI/netI    0.1003
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            22956
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.40
_exptl_absorpt_coefficient_mu    0.111
_exptl_absorpt_correction_T_max  0.9890
_exptl_absorpt_correction_T_min  0.9728
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.064
_exptl_crystal_description       block
_exptl_crystal_F_000             1964
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.327
_refine_diff_density_min         -0.294
_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.920
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     562
_refine_ls_number_reflns         9866
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.920
_refine_ls_R_factor_all          0.1342
_refine_ls_R_factor_gt           0.0639
_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)+(0.0980P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1629
_refine_ls_wR_factor_ref         0.1920
_reflns_number_gt                4815
_reflns_number_total             9866
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic200748z_si_002_1.cif
_cod_data_source_block           a00524a
_cod_database_code               4325917
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
Mg1 Mg 0.16979(8) 0.18332(5) 0.32806(6) 0.0444(3) Uani 1 1 d .
Si1 Si 0.20359(7) 0.05628(5) 0.32508(5) 0.0492(3) Uani 1 1 d .
Si2 Si 0.12838(7) 0.30853(5) 0.30866(5) 0.0460(3) Uani 1 1 d .
Li1 Li 0.3535(6) 0.1978(4) 0.3157(5) 0.099(3) Uani 1 1 d .
Li2 Li -0.0215(6) 0.1663(4) 0.3100(6) 0.118(4) Uani 1 1 d .
N1 N 0.23607(18) 0.26476(12) 0.29979(13) 0.0394(7) Uani 1 1 d .
N2 N 0.28868(18) 0.11950(12) 0.34512(13) 0.0424(7) Uani 1 1 d .
N3 N 0.05465(18) 0.24795(13) 0.33351(13) 0.0417(7) Uani 1 1 d .
N4 N 0.09205(19) 0.09945(13) 0.30640(13) 0.0425(7) Uani 1 1 d .
C1 C 0.3174(2) 0.29357(15) 0.27200(17) 0.0418(8) Uani 1 1 d .
C2 C 0.3186(3) 0.29159(18) 0.20260(18) 0.0510(9) Uani 1 1 d .
C3 C 0.4008(3) 0.3186(2) 0.1788(2) 0.0745(13) Uani 1 1 d .
H3A H 0.4006 0.3186 0.1333 0.089 Uiso 1 1 calc R
C4 C 0.4818(3) 0.3452(2) 0.2194(3) 0.0878(16) Uani 1 1 d .
H4A H 0.5358 0.3626 0.2016 0.105 Uiso 1 1 calc R
C5 C 0.4828(3) 0.3460(2) 0.2866(2) 0.0739(13) Uani 1 1 d .
H5A H 0.5379 0.3641 0.3144 0.089 Uiso 1 1 calc R
C6 C 0.4027(2) 0.32016(17) 0.31401(18) 0.0497(9) Uani 1 1 d .
C7 C 0.2349(3) 0.26000(19) 0.15377(18) 0.0564(10) Uani 1 1 d .
H7A H 0.1766 0.2525 0.1765 0.068 Uiso 1 1 calc R
C8 C 0.2698(3) 0.1955(2) 0.1305(2) 0.0775(13) Uani 1 1 d .
H8A H 0.2927 0.1690 0.1684 0.116 Uiso 1 1 calc R
H8B H 0.3248 0.2019 0.1061 0.116 Uiso 1 1 calc R
H8C H 0.2138 0.1751 0.1024 0.116 Uiso 1 1 calc R
C9 C 0.1991(3) 0.3020(2) 0.09382(19) 0.0778(13) Uani 1 1 d .
H9A H 0.1771 0.3424 0.1083 0.117 Uiso 1 1 calc R
H9B H 0.1434 0.2816 0.0656 0.117 Uiso 1 1 calc R
H9C H 0.2544 0.3084 0.0696 0.117 Uiso 1 1 calc R
C10 C 0.4119(3) 0.32185(19) 0.3886(2) 0.0616(11) Uani 1 1 d .
H10A H 0.3506 0.3020 0.4004 0.074 Uiso 1 1 calc R
C11 C 0.4192(4) 0.3899(2) 0.4162(3) 0.1056(18) Uani 1 1 d .
H11A H 0.3607 0.4139 0.3960 0.158 Uiso 1 1 calc R
H11B H 0.4801 0.4098 0.4067 0.158 Uiso 1 1 calc R
H11C H 0.4212 0.3886 0.4634 0.158 Uiso 1 1 calc R
C12 C 0.5052(3) 0.2836(2) 0.4223(2) 0.0821(14) Uani 1 1 d .
H12A H 0.5013 0.2409 0.4052 0.123 Uiso 1 1 calc R
H12B H 0.5060 0.2825 0.4694 0.123 Uiso 1 1 calc R
H12C H 0.5665 0.3036 0.4133 0.123 Uiso 1 1 calc R
C13 C 0.3906(2) 0.10963(16) 0.37893(18) 0.0454(9) Uani 1 1 d .
C14 C 0.4161(2) 0.11261(17) 0.44939(19) 0.0501(9) Uani 1 1 d .
C15 C 0.5172(3) 0.1068(2) 0.4795(2) 0.0698(12) Uani 1 1 d .
H15A H 0.5331 0.1078 0.5256 0.084 Uiso 1 1 calc R
C16 C 0.5945(3) 0.0995(2) 0.4430(3) 0.0808(14) Uani 1 1 d .
H16A H 0.6618 0.0958 0.4643 0.097 Uiso 1 1 calc R
C17 C 0.5720(3) 0.0979(2) 0.3759(2) 0.0696(12) Uani 1 1 d .
H17A H 0.6249 0.0939 0.3515 0.084 Uiso 1 1 calc R
C18 C 0.4725(3) 0.10193(17) 0.34229(19) 0.0514(9) Uani 1 1 d .
C19 C 0.4573(3) 0.0974(2) 0.2676(2) 0.0627(11) Uani 1 1 d .
H19A H 0.3840 0.1011 0.2508 0.075 Uiso 1 1 calc R
C20 C 0.4926(4) 0.0330(2) 0.2455(2) 0.0994(17) Uani 1 1 d .
H20A H 0.4574 -0.0005 0.2644 0.149 Uiso 1 1 calc R
H20B H 0.5648 0.0287 0.2601 0.149 Uiso 1 1 calc R
H20C H 0.4780 0.0303 0.1979 0.149 Uiso 1 1 calc R
C21 C 0.5115(3) 0.1516(3) 0.2372(2) 0.1002(17) Uani 1 1 d .
H21A H 0.4883 0.1919 0.2515 0.150 Uiso 1 1 calc R
H21B H 0.4962 0.1490 0.1896 0.150 Uiso 1 1 calc R
H21C H 0.5838 0.1480 0.2514 0.150 Uiso 1 1 calc R
C22 C 0.3376(3) 0.12523(18) 0.49353(19) 0.0564(10) Uani 1 1 d .
H22A H 0.2696 0.1229 0.4664 0.068 Uiso 1 1 calc R
C23 C 0.3528(3) 0.1924(2) 0.5232(2) 0.0761(13) Uani 1 1 d .
H23A H 0.3489 0.2231 0.4880 0.114 Uiso 1 1 calc R
H23B H 0.4185 0.1950 0.5510 0.114 Uiso 1 1 calc R
H23C H 0.3005 0.2010 0.5492 0.114 Uiso 1 1 calc R
C24 C 0.3434(4) 0.0767(2) 0.5497(2) 0.0883(14) Uani 1 1 d .
H24A H 0.3328 0.0346 0.5313 0.132 Uiso 1 1 calc R
H24B H 0.2917 0.0860 0.5760 0.132 Uiso 1 1 calc R
H24C H 0.4094 0.0789 0.5772 0.132 Uiso 1 1 calc R
C25 C 0.2245(3) 0.0060(2) 0.2536(2) 0.0828(14) Uani 1 1 d .
H25A H 0.2346 -0.0375 0.2678 0.124 Uiso 1 1 calc R
H25B H 0.2837 0.0209 0.2369 0.124 Uiso 1 1 calc R
H25C H 0.1659 0.0088 0.2191 0.124 Uiso 1 1 calc R
C26 C 0.2126(3) -0.00120(18) 0.3961(2) 0.0748(13) Uani 1 1 d .
H26A H 0.2252 -0.0433 0.3809 0.112 Uiso 1 1 calc R
H26B H 0.1497 -0.0009 0.4134 0.112 Uiso 1 1 calc R
H26C H 0.2676 0.0112 0.4304 0.112 Uiso 1 1 calc R
C27 C 0.1474(3) 0.37331(19) 0.3725(2) 0.0788(13) Uani 1 1 d .
H27A H 0.1264 0.4134 0.3518 0.118 Uiso 1 1 calc R
H27B H 0.2183 0.3755 0.3920 0.118 Uiso 1 1 calc R
H27C H 0.1074 0.3643 0.4064 0.118 Uiso 1 1 calc R
C28 C 0.0737(3) 0.35070(18) 0.22933(19) 0.0658(11) Uani 1 1 d .
H28A H 0.0676 0.3954 0.2379 0.099 Uiso 1 1 calc R
H28B H 0.0075 0.3335 0.2124 0.099 Uiso 1 1 calc R
H28C H 0.1180 0.3447 0.1972 0.099 Uiso 1 1 calc R
C29 C -0.0302(2) 0.25942(17) 0.36750(18) 0.0477(9) Uani 1 1 d .
C30 C -0.0184(3) 0.2565(2) 0.43767(19) 0.0603(11) Uani 1 1 d .
C31 C -0.1033(4) 0.2619(3) 0.4677(2) 0.106(2) Uani 1 1 d .
H31A H -0.0951 0.2597 0.5138 0.127 Uiso 1 1 calc R
C32 C -0.1997(3) 0.2704(3) 0.4322(3) 0.120(2) Uani 1 1 d .
H32A H -0.2556 0.2738 0.4540 0.144 Uiso 1 1 calc R
C33 C -0.2123(3) 0.2739(3) 0.3646(2) 0.0939(17) Uani 1 1 d .
H33A H -0.2776 0.2797 0.3406 0.113 Uiso 1 1 calc R
C34 C -0.1297(3) 0.26902(19) 0.33058(19) 0.0572(10) Uani 1 1 d .
C35 C -0.1515(3) 0.2750(2) 0.25667(19) 0.0675(12) Uani 1 1 d .
H35A H -0.0865 0.2713 0.2404 0.081 Uiso 1 1 calc R
C36 C -0.2214(4) 0.2218(3) 0.2244(3) 0.128(2) Uani 1 1 d .
H36A H -0.1910 0.1812 0.2372 0.193 Uiso 1 1 calc R
H36B H -0.2306 0.2261 0.1770 0.193 Uiso 1 1 calc R
H36C H -0.2864 0.2248 0.2388 0.193 Uiso 1 1 calc R
C37 C -0.1979(4) 0.3404(3) 0.2348(3) 0.118(2) Uani 1 1 d .
H37A H -0.1534 0.3736 0.2551 0.178 Uiso 1 1 calc R
H37B H -0.2633 0.3445 0.2485 0.178 Uiso 1 1 calc R
H37C H -0.2058 0.3440 0.1874 0.178 Uiso 1 1 calc R
C38 C 0.0826(3) 0.2443(2) 0.48184(18) 0.0617(11) Uani 1 1 d .
H38A H 0.1361 0.2450 0.4541 0.074 Uiso 1 1 calc R
C39 C 0.0827(3) 0.1785(2) 0.5136(2) 0.0862(15) Uani 1 1 d .
H39A H 0.0674 0.1468 0.4794 0.129 Uiso 1 1 calc R
H39B H 0.0320 0.1771 0.5420 0.129 Uiso 1 1 calc R
H39C H 0.1487 0.1701 0.5393 0.129 Uiso 1 1 calc R
C40 C 0.1077(4) 0.2951(3) 0.5352(2) 0.1008(17) Uani 1 1 d .
H40A H 0.1081 0.3363 0.5147 0.151 Uiso 1 1 calc R
H40B H 0.1737 0.2867 0.5610 0.151 Uiso 1 1 calc R
H40C H 0.0571 0.2945 0.5638 0.151 Uiso 1 1 calc R
C41 C -0.0008(3) 0.07141(17) 0.27201(18) 0.0493(9) Uani 1 1 d .
C42 C -0.0285(3) 0.07559(19) 0.20233(19) 0.0614(11) Uani 1 1 d .
C43 C -0.1216(4) 0.0497(3) 0.1723(2) 0.0967(17) Uani 1 1 d .
H43A H -0.1393 0.0521 0.1263 0.116 Uiso 1 1 calc R
C44 C -0.1877(4) 0.0210(3) 0.2074(3) 0.111(2) Uani 1 1 d .
H44A H -0.2483 0.0032 0.1857 0.134 Uiso 1 1 calc R
C45 C -0.1635(3) 0.0189(2) 0.2749(2) 0.0923(16) Uani 1 1 d .
H45A H -0.2096 0.0009 0.2992 0.111 Uiso 1 1 calc R
C46 C -0.0711(3) 0.04302(19) 0.30870(19) 0.0585(10) Uani 1 1 d .
C47 C -0.0527(3) 0.03923(19) 0.38373(19) 0.0569(10) Uani 1 1 d .
H47A H 0.0157 0.0562 0.3998 0.068 Uiso 1 1 calc R
C48 C -0.0550(3) -0.0295(2) 0.4079(2) 0.0820(14) Uani 1 1 d .
H48A H -0.0068 -0.0545 0.3887 0.123 Uiso 1 1 calc R
H48B H -0.1223 -0.0467 0.3947 0.123 Uiso 1 1 calc R
H48C H -0.0374 -0.0305 0.4554 0.123 Uiso 1 1 calc R
C49 C -0.1293(3) 0.0799(2) 0.4140(2) 0.0870(15) Uani 1 1 d .
H49A H -0.1271 0.1231 0.3985 0.131 Uiso 1 1 calc R
H49B H -0.1119 0.0791 0.4615 0.131 Uiso 1 1 calc R
H49C H -0.1968 0.0631 0.4007 0.131 Uiso 1 1 calc R
C50 C 0.0377(3) 0.10813(19) 0.15897(19) 0.0629(11) Uani 1 1 d .
H50A H 0.1034 0.1180 0.1866 0.076 Uiso 1 1 calc R
C51 C -0.0107(4) 0.1706(2) 0.1322(2) 0.0836(14) Uani 1 1 d .
H51A H -0.0219 0.1972 0.1685 0.125 Uiso 1 1 calc R
H51B H -0.0748 0.1620 0.1041 0.125 Uiso 1 1 calc R
H51C H 0.0339 0.1920 0.1069 0.125 Uiso 1 1 calc R
C52 C 0.0584(4) 0.0661(2) 0.1012(2) 0.1021(17) Uani 1 1 d .
H52A H 0.0903 0.0271 0.1184 0.153 Uiso 1 1 calc R
H52B H 0.1028 0.0883 0.0764 0.153 Uiso 1 1 calc R
H52C H -0.0048 0.0567 0.0728 0.153 Uiso 1 1 calc R
C55 C 0.9589(10) 0.4861(7) 0.5135(7) 0.291(7) Uiso 1 1 d .
H55A H 0.9841 0.4470 0.5359 0.349 Uiso 1 1 calc R
H55B H 0.9423 0.5149 0.5474 0.349 Uiso 1 1 calc R
C54 C 0.8780(16) 0.4731(9) 0.4758(9) 0.397(11) Uiso 1 1 d .
H54A H 0.8958 0.4399 0.4467 0.476 Uiso 1 1 calc R
H54B H 0.8624 0.5106 0.4481 0.476 Uiso 1 1 calc R
C53 C 0.7888(11) 0.4549(7) 0.4917(7) 0.324(7) Uiso 1 1 d .
H53A H 0.7401 0.4486 0.4519 0.487 Uiso 1 1 calc R
H53B H 0.7643 0.4874 0.5183 0.487 Uiso 1 1 calc R
H53C H 0.7978 0.4158 0.5164 0.487 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'
Mg Mg 0.0486 0.0363 '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'
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 Mg1 N4 151.56(12) . .
N1 Mg1 N2 103.65(12) . .
N4 Mg1 N2 79.83(12) . .
N1 Mg1 N3 79.93(12) . .
N4 Mg1 N3 102.93(12) . .
N2 Mg1 N3 167.33(12) . .
N1 Mg1 Li1 53.18(18) . .
N4 Mg1 Li1 123.0(2) . .
N2 Mg1 Li1 50.49(18) . .
N3 Mg1 Li1 131.9(2) . .
N1 Mg1 Li2 123.0(3) . .
N4 Mg1 Li2 52.4(2) . .
N2 Mg1 Li2 131.1(2) . .
N3 Mg1 Li2 50.5(2) . .
Li1 Mg1 Li2 166.0(4) . .
N1 Mg1 Si2 40.02(8) . .
N4 Mg1 Si2 136.05(10) . .
N2 Mg1 Si2 142.24(9) . .
N3 Mg1 Si2 39.92(8) . .
Li1 Mg1 Si2 92.62(17) . .
Li2 Mg1 Si2 86.6(2) . .
N1 Mg1 Si1 137.23(9) . .
N4 Mg1 Si1 39.61(8) . .
N2 Mg1 Si1 40.23(8) . .
N3 Mg1 Si1 140.96(9) . .
Li1 Mg1 Si1 87.06(18) . .
Li2 Mg1 Si1 91.4(2) . .
Si2 Mg1 Si1 170.38(6) . .
N4 Si1 N2 98.76(14) . .
N4 Si1 C25 111.07(17) . .
N2 Si1 C25 116.03(18) . .
N4 Si1 C26 116.77(17) . .
N2 Si1 C26 110.58(16) . .
C25 Si1 C26 104.2(2) . .
N4 Si1 Mg1 49.29(9) . .
N2 Si1 Mg1 49.48(10) . .
C25 Si1 Mg1 128.56(16) . .
C26 Si1 Mg1 127.27(15) . .
N3 Si2 N1 99.18(14) . .
N3 Si2 C27 110.25(17) . .
N1 Si2 C27 116.04(17) . .
N3 Si2 C28 116.15(16) . .
N1 Si2 C28 111.45(15) . .
C27 Si2 C28 104.3(2) . .
N3 Si2 Mg1 49.80(10) . .
N1 Si2 Mg1 49.38(9) . .
C27 Si2 Mg1 127.15(16) . .
C28 Si2 Mg1 128.58(14) . .
N2 Li1 N1 104.6(3) . .
N2 Li1 C1 142.4(4) . .
N1 Li1 C1 38.82(16) . .
N2 Li1 C13 38.59(17) . .
N1 Li1 C13 136.5(4) . .
C1 Li1 C13 169.0(6) . .
N2 Li1 Mg1 52.73(19) . .
N1 Li1 Mg1 51.87(18) . .
C1 Li1 Mg1 90.1(3) . .
C13 Li1 Mg1 88.1(3) . .
N2 Li1 C18 64.7(2) . .
N1 Li1 C18 169.2(4) . .
C1 Li1 C18 151.8(4) . .
C13 Li1 C18 33.80(15) . .
Mg1 Li1 C18 117.4(3) . .
N2 Li1 C6 157.1(5) . .
N1 Li1 C6 61.7(2) . .
C1 Li1 C6 32.32(16) . .
C13 Li1 C6 140.2(5) . .
Mg1 Li1 C6 111.3(3) . .
C18 Li1 C6 128.2(3) . .
N2 Li1 C19 75.4(3) . .
N1 Li1 C19 149.0(5) . .
C1 Li1 C19 129.0(4) . .
C13 Li1 C19 60.7(2) . .
Mg1 Li1 C19 119.4(3) . .
C18 Li1 C19 32.44(15) . .
C6 Li1 C19 126.2(3) . .
N3 Li2 N4 104.2(4) . .
N3 Li2 C41 141.2(4) . .
N4 Li2 C41 39.62(18) . .
N3 Li2 C29 38.42(18) . .
N4 Li2 C29 134.0(5) . .
C41 Li2 C29 170.0(6) . .
N3 Li2 Mg1 52.47(19) . .
N4 Li2 Mg1 51.73(19) . .
C41 Li2 Mg1 89.9(3) . .
C29 Li2 Mg1 86.6(3) . .
N3 Li2 C34 62.3(3) . .
N4 Li2 C34 165.9(4) . .
C41 Li2 C34 154.5(4) . .
C29 Li2 C34 32.30(16) . .
Mg1 Li2 C34 114.7(3) . .
N3 Li2 C46 160.7(6) . .
N4 Li2 C46 61.6(3) . .
C41 Li2 C46 32.15(18) . .
C29 Li2 C46 142.9(5) . .
Mg1 Li2 C46 112.2(3) . .
C34 Li2 C46 130.3(3) . .
C1 N1 Si2 120.5(2) . .
C1 N1 Mg1 148.2(2) . .
Si2 N1 Mg1 90.60(12) . .
C1 N1 Li1 75.6(3) . .
Si2 N1 Li1 161.7(3) . .
Mg1 N1 Li1 75.0(2) . .
C13 N2 Si1 121.8(2) . .
C13 N2 Li1 80.9(3) . .
Si1 N2 Li1 148.2(3) . .
C13 N2 Mg1 144.7(2) . .
Si1 N2 Mg1 90.30(13) . .
Li1 N2 Mg1 76.8(2) . .
C29 N3 Si2 123.1(2) . .
C29 N3 Li2 81.6(3) . .
Si2 N3 Li2 147.5(4) . .
C29 N3 Mg1 141.7(2) . .
Si2 N3 Mg1 90.29(12) . .
Li2 N3 Mg1 77.0(3) . .
C41 N4 Si1 121.9(2) . .
C41 N4 Mg1 144.7(2) . .
Si1 N4 Mg1 91.10(13) . .
C41 N4 Li2 73.9(3) . .
Si1 N4 Li2 162.3(3) . .
Mg1 N4 Li2 75.8(2) . .
C6 C1 C2 118.3(3) . .
C6 C1 N1 120.4(3) . .
C2 C1 N1 121.1(3) . .
C6 C1 Li1 90.9(3) . .
C2 C1 Li1 109.7(4) . .
N1 C1 Li1 65.6(2) . .
C3 C2 C1 118.5(4) . .
C3 C2 C7 118.8(4) . .
C1 C2 C7 122.7(3) . .
C4 C3 C2 122.9(4) . .
C4 C3 H3A 118.5 . .
C2 C3 H3A 118.5 . .
C3 C4 C5 119.2(4) . .
C3 C4 H4A 120.4 . .
C5 C4 H4A 120.4 . .
C4 C5 C6 121.2(4) . .
C4 C5 H5A 119.4 . .
C6 C5 H5A 119.4 . .
C5 C6 C1 119.9(4) . .
C5 C6 C10 117.3(3) . .
C1 C6 C10 122.8(3) . .
C5 C6 Li1 126.1(3) . .
C1 C6 Li1 56.8(3) . .
C10 C6 Li1 89.3(3) . .
C2 C7 C9 111.9(3) . .
C2 C7 C8 111.3(3) . .
C9 C7 C8 109.4(3) . .
C2 C7 H7A 108.0 . .
C9 C7 H7A 108.0 . .
C8 C7 H7A 108.0 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C6 C10 C11 112.6(4) . .
C6 C10 C12 111.3(3) . .
C11 C10 C12 108.9(3) . .
C6 C10 H10A 108.0 . .
C11 C10 H10A 108.0 . .
C12 C10 H10A 108.0 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C14 C13 N2 122.0(3) . .
C14 C13 C18 117.4(3) . .
N2 C13 C18 120.5(3) . .
C14 C13 Li1 122.3(4) . .
N2 C13 Li1 60.5(3) . .
C18 C13 Li1 84.6(3) . .
C15 C14 C13 119.6(3) . .
C15 C14 C22 117.7(4) . .
C13 C14 C22 122.6(3) . .
C16 C15 C14 121.8(4) . .
C16 C15 H15A 119.1 . .
C14 C15 H15A 119.1 . .
C17 C16 C15 119.5(4) . .
C17 C16 H16A 120.2 . .
C15 C16 H16A 120.2 . .
C16 C17 C18 122.0(4) . .
C16 C17 H17A 119.0 . .
C18 C17 H17A 119.0 . .
C17 C18 C13 119.7(4) . .
C17 C18 C19 116.9(3) . .
C13 C18 C19 123.4(3) . .
C17 C18 Li1 131.1(3) . .
C13 C18 Li1 61.6(3) . .
C19 C18 Li1 82.0(3) . .
C18 C19 C20 111.1(4) . .
C18 C19 C21 111.7(4) . .
C20 C19 C21 110.4(4) . .
C18 C19 Li1 65.5(3) . .
C20 C19 Li1 166.1(3) . .
C21 C19 Li1 82.8(3) . .
C18 C19 H19A 107.8 . .
C20 C19 H19A 107.8 . .
C21 C19 H19A 107.8 . .
Li1 C19 H19A 62.6 . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C19 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C19 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C14 C22 C24 112.3(3) . .
C14 C22 C23 109.8(3) . .
C24 C22 C23 109.2(4) . .
C14 C22 H22A 108.5 . .
C24 C22 H22A 108.5 . .
C23 C22 H22A 108.5 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
Si1 C25 H25A 109.5 . .
Si1 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
Si1 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
Si1 C26 H26A 109.5 . .
Si1 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
Si1 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
Si2 C27 H27A 109.5 . .
Si2 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
Si2 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
Si2 C28 H28A 109.5 . .
Si2 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
Si2 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C30 C29 C34 118.5(3) . .
C30 C29 N3 121.2(3) . .
C34 C29 N3 120.1(3) . .
C30 C29 Li2 118.4(4) . .
C34 C29 Li2 88.3(3) . .
N3 C29 Li2 60.0(3) . .
C31 C30 C29 119.2(4) . .
C31 C30 C38 117.5(4) . .
C29 C30 C38 123.3(3) . .
C32 C31 C30 122.4(4) . .
C32 C31 H31A 118.8 . .
C30 C31 H31A 118.8 . .
C33 C32 C31 119.2(4) . .
C33 C32 H32A 120.4 . .
C31 C32 H32A 120.4 . .
C32 C33 C34 121.7(4) . .
C32 C33 H33A 119.2 . .
C34 C33 H33A 119.2 . .
C33 C34 C29 119.0(4) . .
C33 C34 C35 117.4(4) . .
C29 C34 C35 123.6(3) . .
C33 C34 Li2 128.9(4) . .
C29 C34 Li2 59.4(3) . .
C35 C34 Li2 85.8(4) . .
C34 C35 C36 112.1(4) . .
C34 C35 C37 111.6(4) . .
C36 C35 C37 109.9(4) . .
C34 C35 H35A 107.7 . .
C36 C35 H35A 107.7 . .
C37 C35 H35A 107.7 . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C35 C37 H37A 109.5 . .
C35 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C35 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C30 C38 C40 112.0(4) . .
C30 C38 C39 110.2(4) . .
C40 C38 C39 110.2(4) . .
C30 C38 H38A 108.1 . .
C40 C38 H38A 108.1 . .
C39 C38 H38A 108.1 . .
C38 C39 H39A 109.5 . .
C38 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C38 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C38 C40 H40A 109.5 . .
C38 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C38 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
C42 C41 C46 118.3(3) . .
C42 C41 N4 121.6(3) . .
C46 C41 N4 119.9(3) . .
C42 C41 Li2 106.0(4) . .
C46 C41 Li2 93.6(4) . .
N4 C41 Li2 66.4(3) . .
C43 C42 C41 118.7(4) . .
C43 C42 C50 118.6(4) . .
C41 C42 C50 122.7(3) . .
C44 C43 C42 122.9(4) . .
C44 C43 H43A 118.6 . .
C42 C43 H43A 118.6 . .
C43 C44 C45 118.9(4) . .
C43 C44 H44A 120.6 . .
C45 C44 H44A 120.6 . .
C44 C45 C46 121.7(4) . .
C44 C45 H45A 119.1 . .
C46 C45 H45A 119.1 . .
C45 C46 C41 119.4(4) . .
C45 C46 C47 117.4(3) . .
C41 C46 C47 123.1(3) . .
C45 C46 Li2 123.4(4) . .
C41 C46 Li2 54.3(3) . .
C47 C46 Li2 92.5(3) . .
C46 C47 C48 111.6(3) . .
C46 C47 C49 111.8(3) . .
C48 C47 C49 110.2(3) . .
C46 C47 H47A 107.7 . .
C48 C47 H47A 107.7 . .
C49 C47 H47A 107.7 . .
C47 C48 H48A 109.5 . .
C47 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C47 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C47 C49 H49A 109.5 . .
C47 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C47 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
C42 C50 C51 110.3(4) . .
C42 C50 C52 112.8(4) . .
C51 C50 C52 109.7(4) . .
C42 C50 H50A 107.9 . .
C51 C50 H50A 107.9 . .
C52 C50 H50A 107.9 . .
C50 C51 H51A 109.5 . .
C50 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C50 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
C50 C52 H52A 109.5 . .
C50 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C50 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C54 C55 C55 119(2) . 3_766
C54 C55 H55A 107.5 . .
C55 C55 H55A 107.5 3_766 .
C54 C55 H55B 107.5 . .
C55 C55 H55B 107.5 3_766 .
H55A C55 H55B 107.0 . .
C55 C54 C53 129(2) . .
C55 C54 H54A 105.2 . .
C53 C54 H54A 105.2 . .
C55 C54 H54B 105.2 . .
C53 C54 H54B 105.2 . .
H54A C54 H54B 105.9 . .
C54 C53 H53A 109.5 . .
C54 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C54 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mg1 N1 2.048(3) .
Mg1 N4 2.050(3) .
Mg1 N2 2.055(3) .
Mg1 N3 2.061(3) .
Mg1 Li1 2.514(8) .
Mg1 Li2 2.532(8) .
Mg1 Si2 2.698(2) .
Mg1 Si1 2.704(3) .
Si1 N4 1.724(3) .
Si1 N2 1.746(3) .
Si1 C25 1.859(4) .
Si1 C26 1.874(4) .
Si2 N3 1.731(3) .
Si2 N1 1.735(3) .
Si2 C27 1.870(4) .
Si2 C28 1.882(4) .
Li1 N2 1.993(8) .
Li1 N1 2.084(8) .
Li1 C1 2.217(8) .
Li1 C13 2.262(8) .
Li1 C18 2.559(8) .
Li1 C6 2.650(9) .
Li1 C19 2.784(10) .
Li2 N3 2.006(8) .
Li2 N4 2.069(9) .
Li2 C41 2.169(9) .
Li2 C29 2.292(9) .
Li2 C34 2.662(9) .
Li2 C46 2.666(10) .
N1 C1 1.435(4) .
N2 C13 1.428(4) .
N3 C29 1.440(4) .
N4 C41 1.440(4) .
C1 C6 1.417(5) .
C1 C2 1.420(5) .
C2 C3 1.389(5) .
C2 C7 1.516(5) .
C3 C4 1.363(6) .
C3 H3A 0.9300 .
C4 C5 1.372(6) .
C4 H4A 0.9300 .
C5 C6 1.392(5) .
C5 H5A 0.9300 .
C6 C10 1.508(5) .
C7 C9 1.518(5) .
C7 C8 1.531(5) .
C7 H7A 0.9800 .
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 C11 1.531(6) .
C10 C12 1.539(5) .
C10 H10A 0.9800 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C14 1.423(5) .
C13 C18 1.430(5) .
C14 C15 1.385(5) .
C14 C22 1.511(5) .
C15 C16 1.374(6) .
C15 H15A 0.9300 .
C16 C17 1.354(6) .
C16 H16A 0.9300 .
C17 C18 1.386(5) .
C17 H17A 0.9300 .
C18 C19 1.508(5) .
C19 C20 1.522(6) .
C19 C21 1.532(5) .
C19 H19A 0.9800 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 C24 1.526(5) .
C22 C23 1.533(5) .
C22 H22A 0.9800 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 C30 1.417(5) .
C29 C34 1.423(5) .
C30 C31 1.376(5) .
C30 C38 1.509(5) .
C31 C32 1.374(6) .
C31 H31A 0.9300 .
C32 C33 1.364(6) .
C32 H32A 0.9300 .
C33 C34 1.398(5) .
C33 H33A 0.9300 .
C34 C35 1.494(5) .
C35 C36 1.527(6) .
C35 C37 1.539(6) .
C35 H35A 0.9800 .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C37 H37A 0.9600 .
C37 H37B 0.9600 .
C37 H37C 0.9600 .
C38 C40 1.522(6) .
C38 C39 1.524(6) .
C38 H38A 0.9800 .
C39 H39A 0.9600 .
C39 H39B 0.9600 .
C39 H39C 0.9600 .
C40 H40A 0.9600 .
C40 H40B 0.9600 .
C40 H40C 0.9600 .
C41 C42 1.412(5) .
C41 C46 1.422(5) .
C42 C43 1.396(5) .
C42 C50 1.511(5) .
C43 C44 1.362(6) .
C43 H43A 0.9300 .
C44 C45 1.363(6) .
C44 H44A 0.9300 .
C45 C46 1.399(5) .
C45 H45A 0.9300 .
C46 C47 1.513(5) .
C47 C48 1.526(6) .
C47 C49 1.535(5) .
C47 H47A 0.9800 .
C48 H48A 0.9600 .
C48 H48B 0.9600 .
C48 H48C 0.9600 .
C49 H49A 0.9600 .
C49 H49B 0.9600 .
C49 H49C 0.9600 .
C50 C51 1.520(5) .
C50 C52 1.533(6) .
C50 H50A 0.9800 .
C51 H51A 0.9600 .
C51 H51B 0.9600 .
C51 H51C 0.9600 .
C52 H52A 0.9600 .
C52 H52B 0.9600 .
C52 H52C 0.9600 .
C55 C54 1.24(2) .
C55 C55 1.43(2) 3_766
C55 H55A 0.9700 .
C55 H55B 0.9700 .
C54 C53 1.336(19) .
C54 H54A 0.9700 .
C54 H54B 0.9700 .
C53 H53A 0.9600 .
C53 H53B 0.9600 .
C53 H53C 0.9600 .
