#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:07:42 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179468 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/65/4336538.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_4336538
loop_
_publ_author_name
'Fabrizio Ortu'
'Graeme J. Moxey'
'Alexander J. Blake'
'William Lewis'
'Deborah L. Kays'
_publ_contact_author_address
;  School of Chemistry, University of Nottingham,
   University Park,
   Nottingham, NG7 2RD, United Kingdom
;
_publ_contact_author_email       Deborah.Kays@nottingham.ac.uk
_publ_contact_author_fax         '+44-(0) 115 951 3461'
_publ_contact_author_name        'Deborah L. Kays'
_publ_contact_author_phone       '+49-(0) 115 951 3555'
_publ_section_title
;
 Alkaline Earth Complexes of Silylated Aminopyridinato Ligands: Homoleptic
 Compounds and Heterobimetallic Coordination Polymers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              12429
_journal_page_last               12439
_journal_paper_doi               10.1021/ic4012923
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C22 H39 Li Mg N4 Si2'
_chemical_formula_sum            'C22 H39 Li Mg N4 Si2'
_chemical_formula_weight         447.00
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2012
_cell_angle_alpha                90
_cell_angle_beta                 118.782(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.4769(10)
_cell_length_b                   12.6948(5)
_cell_length_c                   13.5233(8)
_cell_measurement_reflns_used    5576
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      74.2269
_cell_measurement_theta_min      3.7262
_cell_volume                     2629.7(3)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
;
_computing_structure_refinement  'SHELXL-2012 (Sheldrick, 2012)'
_computing_structure_solution    'SHELXL-2012 (Sheldrick, 2012)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 10.3613
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Atlas'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) x-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0421
_diffrn_reflns_av_unetI/netI     0.0405
_diffrn_reflns_Laue_measured_fraction_full 0.979
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10380
_diffrn_reflns_point_group_measured_fraction_full 0.878
_diffrn_reflns_point_group_measured_fraction_max 0.897
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         66.594
_diffrn_reflns_theta_min         4.524
_exptl_absorpt_coefficient_mu    1.559
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.834
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd., 
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET) 
(compiled Jan  5 2010,16:28:46) 
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            colourless
_exptl_crystal_density_diffrn    1.129
_exptl_crystal_description       block
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.1964
_exptl_crystal_size_mid          0.1387
_exptl_crystal_size_min          0.0976
_refine_diff_density_max         0.653
_refine_diff_density_min         -0.200
_refine_diff_density_rms         0.070
_refine_ls_abs_structure_details
;
 Flack x determined using 1418 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.20(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     327
_refine_ls_number_reflns         4168
_refine_ls_number_restraints     350
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0556
_refine_ls_R_factor_gt           0.0476
_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)+(0.0822P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1189
_refine_ls_wR_factor_ref         0.1248
_reflns_Friedel_coverage         0.792
_reflns_Friedel_fraction_full    0.778
_reflns_Friedel_fraction_max     0.795
_reflns_number_gt                3597
_reflns_number_total             4168
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic4012923_si_001_4.cif
_cod_data_source_block           11
_cod_database_code               4336538
#BEGIN Tags that were not found in dictionaries:
_nottingham_internal_coll_name   MGFOLC
_nottingham_internal_coll_number 9883
_nottingham_internal_coll_client FO/DLK
_nottingham_internal_coll_type   custom
_nottingham_internal_coll_frame_time '15 and 60s'
_nottingham_internal_coll_frame_width '1 degree'
_nottingham_internal_coll_frame_method '\w scans'
_nottingham_internal_coll_user   wl
_nottingham_internal_coll_date   30/11/2010
_nottingham_internal_process_user wl
_nottingham_internal_process_date 03/12/2010
_nottingham_internal_solution_user FO
_nottingham_internal_solution_date 03/7/2013
_nottingham_internal_refinement_user FO
_nottingham_internal_refinement_date 03/7/2013
_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.
;
_shelxl_version_number           2012-9
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si -0.32819(9) -0.03296(12) -0.22777(14) 0.0239(4) Uani 1 1 d . U . . .
Si1A Si 0.07210(9) 0.03371(13) 0.02619(13) 0.0235(4) Uani 1 1 d . U . . .
Mg1 Mg -0.1173(5) -0.0032(4) -0.1993(10) 0.0200(8) Uani 0.720(7) 1 d D U P A 1
Mg1A Mg -0.1420(13) 0.0092(10) -0.007(2) 0.024(3) Uani 0.280(7) 1 d D U P A 2
N1 N -0.1177(4) -0.1694(4) -0.1838(5) 0.0257(11) Uani 1 1 d D U . . .
N1A N -0.1393(4) 0.1703(4) -0.0224(5) 0.0242(11) Uani 1 1 d D U . . .
N2 N -0.2190(3) -0.0659(4) -0.1689(5) 0.0248(10) Uani 1 1 d D U . . .
N2A N -0.0379(3) 0.0658(4) -0.0388(5) 0.0254(10) Uani 1 1 d D U . . .
C2 C -0.1902(4) -0.1664(5) -0.1709(6) 0.0249(11) Uani 1 1 d . U . . .
C2A C -0.0647(4) 0.1659(6) -0.0323(6) 0.0244(11) Uani 1 1 d . U . . .
C3 C -0.2292(5) -0.2616(6) -0.1619(7) 0.0305(14) Uani 1 1 d . U . . .
H3 H -0.2792 -0.2600 -0.1514 0.037 Uiso 1 1 calc R U . . .
C3A C -0.0245(5) 0.2607(5) -0.0361(6) 0.0274(12) Uani 1 1 d . U . . .
H3A H 0.0269 0.2594 -0.0435 0.033 Uiso 1 1 calc R U . . .
C4 C -0.1938(5) -0.3548(6) -0.1683(6) 0.0349(14) Uani 1 1 d . U . . .
H4 H -0.2197 -0.4189 -0.1631 0.042 Uiso 1 1 calc R U . . .
C4A C -0.0604(5) 0.3563(6) -0.0291(6) 0.0335(13) Uani 1 1 d . U . . .
H4A H -0.0345 0.4206 -0.0336 0.040 Uiso 1 1 calc R U . . .
C5 C -0.1195(5) -0.3577(6) -0.1826(7) 0.0359(14) Uani 1 1 d . U . . .
H5 H -0.0948 -0.4228 -0.1873 0.043 Uiso 1 1 calc R U . . .
C5A C -0.1336(5) 0.3575(6) -0.0157(7) 0.0358(14) Uani 1 1 d . U . . .
H5A H -0.1574 0.4225 -0.0084 0.043 Uiso 1 1 calc R U . . .
C6 C -0.0837(5) -0.2639(5) -0.1896(7) 0.0305(13) Uani 1 1 d . U . . .
C6A C -0.1726(5) 0.2624(5) -0.0129(7) 0.0302(13) Uani 1 1 d . U . . .
C7 C -0.0048(5) -0.2574(6) -0.2086(8) 0.0386(18) Uani 1 1 d . U . . .
H7A H -0.0245 -0.2520 -0.2896 0.058 Uiso 1 1 calc R U . . .
H7B H 0.0310 -0.3209 -0.1785 0.058 Uiso 1 1 calc R U . . .
H7C H 0.0300 -0.1953 -0.1699 0.058 Uiso 1 1 calc R U . . .
C7A C -0.2500(5) 0.2587(6) 0.0044(8) 0.0390(18) Uani 1 1 d . U . . .
H7AA H -0.3007 0.2347 -0.0651 0.059 Uiso 1 1 calc R U . . .
H7AB H -0.2614 0.3292 0.0238 0.059 Uiso 1 1 calc R U . . .
H7AC H -0.2390 0.2098 0.0659 0.059 Uiso 1 1 calc R U . . .
C8 C -0.3983(4) -0.1141(6) -0.3537(7) 0.0381(16) Uani 1 1 d . U . . .
H8A H -0.3694 -0.1234 -0.3996 0.057 Uiso 1 1 calc R U . . .
H8B H -0.4545 -0.0786 -0.3984 0.057 Uiso 1 1 calc R U . . .
H8C H -0.4082 -0.1832 -0.3293 0.057 Uiso 1 1 calc R U . . .
C8A C 0.0810(4) -0.1071(5) 0.0733(6) 0.0298(14) Uani 1 1 d . U . . .
H8AA H 0.0709 -0.1111 0.1385 0.045 Uiso 1 1 calc R U . . .
H8AB H 0.1395 -0.1339 0.0944 0.045 Uiso 1 1 calc R U . . .
H8AC H 0.0372 -0.1497 0.0115 0.045 Uiso 1 1 calc R U . . .
C9 C -0.3373(4) 0.1046(6) -0.2765(7) 0.0326(15) Uani 1 1 d . U . . .
H9A H -0.3009 0.1501 -0.2123 0.049 Uiso 1 1 calc R U . . .
H9B H -0.3983 0.1275 -0.3102 0.049 Uiso 1 1 calc R U . . .
H9C H -0.3175 0.1092 -0.3330 0.049 Uiso 1 1 calc R U . . .
C9A C 0.1393(4) 0.1151(6) 0.1564(6) 0.0351(15) Uani 1 1 d . U . . .
H9AA H 0.1342 0.1898 0.1358 0.053 Uiso 1 1 calc R U . . .
H9AB H 0.2006 0.0935 0.1904 0.053 Uiso 1 1 calc R U . . .
H9AC H 0.1180 0.1044 0.2108 0.053 Uiso 1 1 calc R U . . .
C10 C -0.3702(5) -0.0431(6) -0.1240(7) 0.0333(15) Uani 1 1 d . U . . .
H10A H -0.3620 -0.1152 -0.0947 0.050 Uiso 1 1 calc R U . . .
H10B H -0.4324 -0.0253 -0.1615 0.050 Uiso 1 1 calc R U . . .
H10C H -0.3380 0.0059 -0.0615 0.050 Uiso 1 1 calc R U . . .
C10A C 0.1196(5) 0.0479(7) -0.0714(7) 0.0381(16) Uani 1 1 d . U . . .
H10D H 0.0888 0.0008 -0.1362 0.057 Uiso 1 1 calc R U . . .
H10E H 0.1817 0.0293 -0.0312 0.057 Uiso 1 1 calc R U . . .
H10F H 0.1130 0.1209 -0.0978 0.057 Uiso 1 1 calc R U . . .
C11 C -0.1236(6) 0.0612(3) -0.3480(8) 0.0301(8) Uani 1 1 d . U . . .
H11A H -0.0873 0.0160 -0.3686 0.036 Uiso 0.720(7) 1 calc R U P A 1
H11B H -0.1847 0.0537 -0.4089 0.036 Uiso 0.720(7) 1 calc R U P A 1
H11C H -0.1515 0.0136 -0.3167 0.036 Uiso 0.280(7) 1 calc R U P A 2
H11D H -0.0602 0.0609 -0.2943 0.036 Uiso 0.280(7) 1 calc R U P A 2
C12 C -0.0964(6) 0.1755(8) -0.3508(10) 0.0303(12) Uani 0.720(7) 1 d . U P A 1
H12A H -0.0914 0.1866 -0.4199 0.036 Uiso 0.720(7) 1 calc R U P A 1
H12B H -0.0382 0.1881 -0.2850 0.036 Uiso 0.720(7) 1 calc R U P A 1
C12A C -0.1595(17) 0.180(2) -0.348(3) 0.030(2) Uani 0.280(7) 1 d . U P A 2
H12C H -0.2182 0.1901 -0.4140 0.036 Uiso 0.280(7) 1 calc R U P A 2
H12D H -0.1632 0.1929 -0.2784 0.036 Uiso 0.280(7) 1 calc R U P A 2
C13 C -0.1616(7) 0.2552(8) -0.3487(10) 0.0324(12) Uani 0.720(7) 1 d . U P A 1
H13A H -0.2190 0.2441 -0.4164 0.039 Uiso 0.720(7) 1 calc R U P A 1
H13B H -0.1688 0.2411 -0.2816 0.039 Uiso 0.720(7) 1 calc R U P A 1
C13A C -0.0980(17) 0.250(2) -0.355(3) 0.032(2) Uani 0.280(7) 1 d . U P A 2
H13C H -0.0945 0.2348 -0.4240 0.038 Uiso 0.280(7) 1 calc R U P A 2
H13D H -0.0396 0.2371 -0.2893 0.038 Uiso 0.280(7) 1 calc R U P A 2
C14 C -0.1357(10) 0.3676(19) -0.3458(15) 0.037(3) Uani 0.720(7) 1 d . U P A 1
H14A H -0.1317 0.3837 -0.4140 0.056 Uiso 0.720(7) 1 calc R U P A 1
H14B H -0.0788 0.3796 -0.2791 0.056 Uiso 0.720(7) 1 calc R U P A 1
H14C H -0.1795 0.4134 -0.3423 0.056 Uiso 0.720(7) 1 calc R U P A 1
C14A C -0.122(3) 0.373(5) -0.355(4) 0.033(5) Uani 0.280(7) 1 d . U P A 2
H14D H -0.1699 0.3914 -0.4298 0.050 Uiso 0.280(7) 1 calc R U P A 2
H14E H -0.0709 0.4159 -0.3379 0.050 Uiso 0.280(7) 1 calc R U P A 2
H14F H -0.1406 0.3847 -0.2981 0.050 Uiso 0.280(7) 1 calc R U P A 2
Li1 Li -0.132(3) -0.009(2) 0.005(5) 0.026(4) Uani 0.720(7) 1 d D U P A 1
Li1A Li -0.120(8) 0.012(3) -0.200(16) 0.021(4) Uani 0.280(7) 1 d D U 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 0.0181 0.0091 '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 0.0008 0.0003 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mg Mg 0.1719 0.1771 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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
N2 Si1 C9 106.2(3) . .
N2 Si1 C8 112.5(3) . .
C9 Si1 C8 107.0(4) . .
N2 Si1 C10 112.5(3) . .
C9 Si1 C10 109.6(3) . .
C8 Si1 C10 108.9(3) . .
N2A Si1A C10A 112.3(3) . .
N2A Si1A C8A 106.6(3) . .
C10A Si1A C8A 109.7(3) . .
N2A Si1A C9A 112.6(3) . .
C10A Si1A C9A 108.5(3) . .
C8A Si1A C9A 107.0(4) . .
N1 Mg1 N2A 109.9(5) . .
N1 Mg1 C11 118.4(5) . .
N2A Mg1 C11 121.3(4) . .
N1 Mg1 N2 64.7(2) . .
N2A Mg1 N2 98.6(5) . .
C11 Mg1 N2 130.5(6) . .
N1A Mg1A N2 111.9(11) . .
N1A Mg1A N2A 66.0(5) . .
N2 Mg1A N2A 96.9(11) . .
N1A Mg1A C11 119.9(12) . 2
N2 Mg1A C11 122.3(7) . 2
N2A Mg1A C11 125.5(11) . 2
C6 N1 C2 119.6(6) . .
C6 N1 Mg1 148.3(5) . .
C2 N1 Mg1 91.8(4) . .
C6 N1 Li1A 149.8(15) . .
C2 N1 Li1A 90.3(14) . .
C6A N1A C2A 121.4(6) . .
C6A N1A Mg1A 145.7(8) . .
C2A N1A Mg1A 92.1(7) . .
C6A N1A Li1 147.5(12) . .
C2A N1A Li1 89.4(11) . .
C2 N2 Si1 123.3(4) . .
C2 N2 Mg1A 111.9(6) . .
Si1 N2 Mg1A 111.8(5) . .
C2 N2 Mg1 89.8(4) . .
Si1 N2 Mg1 130.6(4) . .
C2 N2 Li1A 95.0(12) . .
Si1 N2 Li1A 127(3) . .
Mg1A N2 Li1A 80(5) . .
C2 N2 Li1 104.6(9) . .
Si1 N2 Li1 116.9(10) . .
Mg1 N2 Li1 82.6(12) . .
C2A N2A Si1A 120.9(4) . .
C2A N2A Li1A 106.6(17) . .
Si1A N2A Li1A 119.9(15) . .
C2A N2A Mg1 111.9(5) . .
Si1A N2A Mg1 116.2(3) . .
C2A N2A Mg1A 87.1(5) . .
Si1A N2A Mg1A 130.5(6) . .
Li1A N2A Mg1A 82.7(17) . .
C2A N2A Li1 93.5(9) . .
Si1A N2A Li1 123.3(11) . .
Mg1 N2A Li1 83.8(15) . .
N1 C2 N2 113.7(5) . .
N1 C2 C3 120.1(6) . .
N2 C2 C3 126.2(6) . .
N2A C2A N1A 114.4(6) . .
N2A C2A C3A 126.7(6) . .
N1A C2A C3A 118.9(6) . .
C4 C3 C2 118.9(7) . .
C4 C3 H3 120.5 . .
C2 C3 H3 120.5 . .
C4A C3A C2A 119.5(7) . .
C4A C3A H3A 120.2 . .
C2A C3A H3A 120.2 . .
C3 C4 C5 120.8(7) . .
C3 C4 H4 119.6 . .
C5 C4 H4 119.6 . .
C5A C4A C3A 119.9(7) . .
C5A C4A H4A 120.1 . .
C3A C4A H4A 120.1 . .
C6 C5 C4 118.2(7) . .
C6 C5 H5 120.9 . .
C4 C5 H5 120.9 . .
C4A C5A C6A 119.4(7) . .
C4A C5A H5A 120.3 . .
C6A C5A H5A 120.3 . .
N1 C6 C5 122.4(7) . .
N1 C6 C7 114.8(6) . .
C5 C6 C7 122.7(6) . .
N1A C6A C5A 120.8(7) . .
N1A C6A C7A 117.4(6) . .
C5A C6A C7A 121.8(6) . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C6 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C6A C7A H7AA 109.5 . .
C6A C7A H7AB 109.5 . .
H7AA C7A H7AB 109.5 . .
C6A C7A H7AC 109.5 . .
H7AA C7A H7AC 109.5 . .
H7AB C7A H7AC 109.5 . .
Si1 C8 H8A 109.5 . .
Si1 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
Si1 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
Si1A C8A H8AA 109.5 . .
Si1A C8A H8AB 109.5 . .
H8AA C8A H8AB 109.5 . .
Si1A C8A H8AC 109.5 . .
H8AA C8A H8AC 109.5 . .
H8AB C8A H8AC 109.5 . .
Si1 C9 H9A 109.5 . .
Si1 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
Si1 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
Si1A C9A H9AA 109.5 . .
Si1A C9A H9AB 109.5 . .
H9AA C9A H9AB 109.5 . .
Si1A C9A H9AC 109.5 . .
H9AA C9A H9AC 109.5 . .
H9AB C9A H9AC 109.5 . .
Si1 C10 H10A 109.5 . .
Si1 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
Si1 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
Si1A C10A H10D 109.5 . .
Si1A C10A H10E 109.5 . .
H10D C10A H10E 109.5 . .
Si1A C10A H10F 109.5 . .
H10D C10A H10F 109.5 . .
H10E C10A H10F 109.5 . .
C12 C11 Mg1 120.8(7) . .
C12A C11 Mg1A 119.8(12) . 2_554
C12 C11 H11A 107.1 . .
Mg1 C11 H11A 107.1 . .
C12 C11 H11B 107.1 . .
Mg1 C11 H11B 107.1 . .
H11A C11 H11B 106.8 . .
C12A C11 H11C 107.4 . .
Mg1A C11 H11C 107.4 2_554 .
C12A C11 H11D 107.4 . .
Mg1A C11 H11D 107.4 2_554 .
H11C C11 H11D 106.9 . .
C11 C12 C13 112.4(7) . .
C11 C12 Li1 47.3(11) . 2_554
C13 C12 Li1 127.5(12) . 2_554
C11 C12 H12A 109.1 . .
C13 C12 H12A 109.1 . .
Li1 C12 H12A 61.8 2_554 .
C11 C12 H12B 109.1 . .
C13 C12 H12B 109.1 . .
Li1 C12 H12B 123.1 2_554 .
H12A C12 H12B 107.9 . .
C13A C12A C11 106.0(18) . .
C13A C12A H12C 110.5 . .
C11 C12A H12C 110.5 . .
C13A C12A H12D 110.5 . .
C11 C12A H12D 110.5 . .
H12C C12A H12D 108.7 . .
C14 C13 C12 114.3(10) . .
C14 C13 H13A 108.7 . .
C12 C13 H13A 108.7 . .
C14 C13 H13B 108.7 . .
C12 C13 H13B 108.7 . .
H13A C13 H13B 107.6 . .
C12A C13A C14A 113(2) . .
C12A C13A H13C 108.9 . .
C14A C13A H13C 108.9 . .
C12A C13A H13D 108.9 . .
C14A C13A H13D 108.9 . .
H13C C13A H13D 107.7 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13A C14A H14D 109.5 . .
C13A C14A H14E 109.5 . .
H14D C14A H14E 109.5 . .
C13A C14A H14F 109.5 . .
H14D C14A H14F 109.5 . .
H14E C14A H14F 109.5 . .
C11 Li1 N2A 134(3) 2 .
C11 Li1 N2 128.0(18) 2 .
N2A Li1 N2 95(2) . .
C11 Li1 N1A 117(2) 2 .
N2A Li1 N1A 61.7(9) . .
N2 Li1 N1A 101.4(19) . .
C11 Li1 C12 33.5(6) 2 2
N2A Li1 C12 125.6(17) . 2
N2 Li1 C12 107.8(13) . 2
N1A Li1 C12 149(3) . 2
N2A Li1A N2 99(6) . .
N2A Li1A N1 105(6) . .
N2 Li1A N1 60.9(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 N2 1.729(5) .
Si1 C9 1.846(8) .
Si1 C8 1.858(8) .
Si1 C10 1.875(7) .
Si1A N2A 1.734(5) .
Si1A C10A 1.875(7) .
Si1A C8A 1.879(7) .
Si1A C9A 1.886(7) .
Mg1 N1 2.121(7) .
Mg1 N2A 2.122(13) .
Mg1 C11 2.124(13) .
Mg1 N2 2.159(7) .
Mg1A N1A 2.058(13) .
Mg1A N2 2.16(3) .
Mg1A N2A 2.18(2) .
Mg1A C11 2.21(3) 2
N1 C6 1.358(8) .
N1 C2 1.360(8) .
N1 Li1A 2.32(4) .
N1A C6A 1.340(9) .
N1A C2A 1.374(8) .
N1A Li1 2.30(3) .
N2 C2 1.375(9) .
N2 Li1A 2.20(5) .
N2 Li1 2.22(6) .
N2A C2A 1.372(9) .
N2A Li1A 2.06(18) .
N2A Li1 2.20(4) .
C2 C3 1.422(10) .
C2A C3A 1.407(10) .
C3 C4 1.357(11) .
C3 H3 0.9500 .
C3A C4A 1.391(11) .
C3A H3A 0.9500 .
C4 C5 1.402(11) .
C4 H4 0.9500 .
C4A C5A 1.376(11) .
C4A H4A 0.9500 .
C5 C6 1.369(11) .
C5 H5 0.9500 .
C5A C6A 1.396(11) .
C5A H5A 0.9500 .
C6 C7 1.522(10) .
C6A C7A 1.479(10) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C7A H7AA 0.9800 .
C7A H7AB 0.9800 .
C7A H7AC 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C8A H8AA 0.9800 .
C8A H8AB 0.9800 .
C8A H8AC 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C9A H9AA 0.9800 .
C9A H9AB 0.9800 .
C9A H9AC 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C10A H10D 0.9800 .
C10A H10E 0.9800 .
C10A H10F 0.9800 .
C11 C12 1.533(11) .
C11 C12A 1.63(3) .
C11 Mg1A 2.21(3) 2_554
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C11 H11C 0.9900 .
C11 H11D 0.9900 .
C12 C13 1.535(14) .
C12 Li1 2.74(4) 2_554
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C12A C13A 1.43(4) .
C12A H12C 0.9900 .
C12A H12D 0.9900 .
C13 C14 1.49(3) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C13A C14A 1.61(7) .
C13A H13C 0.9900 .
C13A H13D 0.9900 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C14A H14D 0.9800 .
C14A H14E 0.9800 .
C14A H14F 0.9800 .
Li1 C11 2.04(5) 2
Li1 C12 2.74(4) 2
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C9 Si1 N2 C2 -148.7(6) . .
C8 Si1 N2 C2 -32.0(7) . .
C10 Si1 N2 C2 91.5(6) . .
C9 Si1 N2 Mg1A 73.3(6) . .
C8 Si1 N2 Mg1A -170.0(6) . .
C10 Si1 N2 Mg1A -46.5(6) . .
C9 Si1 N2 Mg1 -24.9(6) . .
C8 Si1 N2 Mg1 91.8(6) . .
C10 Si1 N2 Mg1 -144.8(5) . .
C9 Si1 N2 Li1A -21(5) . .
C8 Si1 N2 Li1A 96(5) . .
C10 Si1 N2 Li1A -140(5) . .
C9 Si1 N2 Li1 79.2(11) . .
C8 Si1 N2 Li1 -164.1(11) . .
C10 Si1 N2 Li1 -40.7(11) . .
C10A Si1A N2A C2A -93.0(6) . .
C8A Si1A N2A C2A 146.8(5) . .
C9A Si1A N2A C2A 29.8(6) . .
C10A Si1A N2A Li1A 43.8(19) . .
C8A Si1A N2A Li1A -76.4(19) . .
C9A Si1A N2A Li1A 166.6(19) . .
C10A Si1A N2A Mg1 48.1(5) . .
C8A Si1A N2A Mg1 -72.1(4) . .
C9A Si1A N2A Mg1 170.9(4) . .
C10A Si1A N2A Mg1A 151.1(9) . .
C8A Si1A N2A Mg1A 31.0(9) . .
C9A Si1A N2A Mg1A -86.1(9) . .
C10A Si1A N2A Li1 148.4(16) . .
C8A Si1A N2A Li1 28.2(16) . .
C9A Si1A N2A Li1 -88.8(16) . .
C6 N1 C2 N2 -178.6(6) . .
Mg1 N1 C2 N2 -3.0(7) . .
Li1A N1 C2 N2 -3(5) . .
C6 N1 C2 C3 0.9(11) . .
Mg1 N1 C2 C3 176.5(7) . .
Li1A N1 C2 C3 177(5) . .
Si1 N2 C2 N1 143.8(5) . .
Mg1A N2 C2 N1 -78.3(9) . .
Mg1 N2 C2 N1 3.0(7) . .
Li1A N2 C2 N1 3(5) . .
Li1 N2 C2 N1 -79.3(13) . .
Si1 N2 C2 C3 -35.7(10) . .
Mg1A N2 C2 C3 102.3(9) . .
Mg1 N2 C2 C3 -176.5(8) . .
Li1A N2 C2 C3 -176(5) . .
Li1 N2 C2 C3 101.3(13) . .
Si1A N2A C2A N1A -142.5(5) . .
Li1A N2A C2A N1A 75.8(17) . .
Mg1 N2A C2A N1A 74.8(7) . .
Mg1A N2A C2A N1A -5.8(9) . .
Li1 N2A C2A N1A -9.9(16) . .
Si1A N2A C2A C3A 38.3(10) . .
Li1A N2A C2A C3A -103.4(18) . .
Mg1 N2A C2A C3A -104.4(8) . .
Mg1A N2A C2A C3A 175.0(10) . .
Li1 N2A C2A C3A 170.9(16) . .
C6A N1A C2A N2A 178.7(7) . .
Mg1A N1A C2A N2A 6.1(10) . .
Li1 N1A C2A N2A 9.4(16) . .
C6A N1A C2A C3A -2.1(10) . .
Mg1A N1A C2A C3A -174.6(10) . .
Li1 N1A C2A C3A -171.3(16) . .
N1 C2 C3 C4 -1.2(12) . .
N2 C2 C3 C4 178.3(7) . .
N2A C2A C3A C4A 179.6(7) . .
N1A C2A C3A C4A 0.4(11) . .
C2 C3 C4 C5 0.6(12) . .
C2A C3A C4A C5A 1.6(12) . .
C3 C4 C5 C6 0.2(12) . .
C3A C4A C5A C6A -2.0(12) . .
C2 N1 C6 C5 -0.1(12) . .
Mg1 N1 C6 C5 -171.6(10) . .
Li1A N1 C6 C5 -171(9) . .
C2 N1 C6 C7 177.7(7) . .
Mg1 N1 C6 C7 6.2(16) . .
Li1A N1 C6 C7 6(9) . .
C4 C5 C6 N1 -0.4(12) . .
C4 C5 C6 C7 -178.1(8) . .
C2A N1A C6A C5A 1.7(11) . .
Mg1A N1A C6A C5A 168.4(15) . .
Li1 N1A C6A C5A 161(3) . .
C2A N1A C6A C7A -176.4(7) . .
Mg1A N1A C6A C7A -9.6(19) . .
Li1 N1A C6A C7A -17(3) . .
C4A C5A C6A N1A 0.4(12) . .
C4A C5A C6A C7A 178.3(8) . .
C12A C11 C12 C13 0.3(18) . .
Mg1 C11 C12 C13 -71.0(11) . .
Mg1A C11 C12 C13 118.5(10) 2_554 .
C12A C11 C12 Li1 -120.7(18) . 2_554
Mg1 C11 C12 Li1 168.0(15) . 2_554
Mg1A C11 C12 Li1 -2.5(18) 2_554 2_554
C12 C11 C12A C13A 1.3(16) . .
Mg1 C11 C12A C13A 125.2(19) . .
Mg1A C11 C12A C13A -77(2) 2_554 .
C11 C12 C13 C14 177.3(11) . .
Li1 C12 C13 C14 -130.2(17) 2_554 .
C11 C12A C13A C14A -180(2) . .
