#------------------------------------------------------------------------------
#$Date: 2018-01-17 04:10:52 +0200 (Wed, 17 Jan 2018) $
#$Revision: 205286 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/11/7121149.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_7121149
loop_
_publ_author_name
'Pollard, Victoria A.'
'Orr, Samantha A.'
'McLellan, Ross'
'Kennedy, Alan R.'
'Hevia, Eva'
'Mulvey, Robert E.'
_publ_section_title
;
 Lithium diamidodihydridoaluminates: bimetallic cooperativity in catalytic
 hydroboration and metallation applications
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C7CC08214B
_journal_year                    2018
_chemical_formula_moiety         'C13 H32 Al Li N4 O Si2'
_chemical_formula_sum            'C13 H32 Al Li N4 O Si2'
_chemical_formula_weight         350.52
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_date             2016-12-13
_audit_creation_method
;
Olex2 1.2
(compiled 2016.11.24 svn.r3356 for OlexSys, GUI svn.r5267)
;
_audit_update_record
;
2017-10-12 deposited with the CCDC.
2017-11-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.332(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.3714(7)
_cell_length_b                   14.1997(7)
_cell_length_c                   11.4816(7)
_cell_measurement_reflns_used    2937
_cell_measurement_temperature    160.3
_cell_measurement_theta_max      27.4968
_cell_measurement_theta_min      2.8632
_cell_volume                     2166.7(2)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XH (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      160.3
_diffrn_detector_area_resol_mean 16.0727
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -83.00    1.00   1.0000  152.1800
omega____ theta____ kappa____ phi______ frames
    -      -18.0350  -21.0000 -122.0000 84

#__ type_ start__ end____ width___ exp.time_
  2 omega  -80.00   19.00   1.0000  152.1800
omega____ theta____ kappa____ phi______ frames
    -      -18.0350  -21.0000  -44.0000 99

#__ type_ start__ end____ width___ exp.time_
  3 omega  -94.00  -64.00   1.0000  152.1800
omega____ theta____ kappa____ phi______ frames
    -      -18.0350  163.0000  -79.0000 30

#__ type_ start__ end____ width___ exp.time_
  4 omega  -90.00  -65.00   1.0000  152.1800
omega____ theta____ kappa____ phi______ frames
    -      -18.0350  -37.0000  150.0000 25
;
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0415905000
_diffrn_orient_matrix_UB_12      -0.0109787000
_diffrn_orient_matrix_UB_13      -0.0308709000
_diffrn_orient_matrix_UB_21      0.0298902000
_diffrn_orient_matrix_UB_22      -0.0085757000
_diffrn_orient_matrix_UB_23      0.0539709000
_diffrn_orient_matrix_UB_31      -0.0148591000
_diffrn_orient_matrix_UB_32      -0.0479540000
_diffrn_orient_matrix_UB_33      -0.0025491000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0390
_diffrn_reflns_av_unetI/netI     0.0693
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            10020
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.999
_diffrn_reflns_theta_min         2.869
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.209
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95150
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.075
_exptl_crystal_description       block
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.461
_refine_diff_density_min         -0.475
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     234
_refine_ls_number_reflns         4611
_refine_ls_number_restraints     50
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.1322
_refine_ls_R_factor_gt           0.0767
_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)+(0.0952P)²+1.9218P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1915
_refine_ls_wR_factor_ref         0.2310
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2713
_reflns_number_total             4611
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7cc08214b2.cif
_cod_data_source_block           RMSO20
_cod_database_code               7121149
_shelxl_version_number           2013-2
_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 99.78
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.00
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O1A-C13A
 1.43 with sigma of 0.02
 O1A-C10A
 1.43 with sigma of 0.02
 O1-C13 = O1-C10
 1.43 with sigma of 0.02
 C12-C13 = C11-C12 = C10-C11
 1.54 with sigma of 0.02
 C11A-C10A = C12A-C11A = C13A-C12A
 1.54 with sigma of 0.02
3. Rigid bond restraints
 O1, C10, C13, C12, C11
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
O1 \\sim C10 \\sim C13 \\sim C12 \\sim C11: within 1.7A with sigma of 0.01 and
sigma for terminal atoms of 0.01
Uanis(O1) = Uanis(O1A)
Uanis(C10) = Uanis(C10A)
Uanis(C11) = Uanis(C11A)
Uanis(C12) = Uanis(C12A)
Uanis(C13) = Uanis(C13A)
5. Others
 Sof(O1A)=Sof(C10A)=Sof(H10A)=Sof(H10B)=Sof(C13A)=Sof(H13A)=Sof(H13B)=
 Sof(C11A)=Sof(H11A)=Sof(H11B)=Sof(C12A)=Sof(H12A)=Sof(H12B)=1-FVAR(1)
 Sof(O1)=Sof(C10)=Sof(H10C)=Sof(H10D)=Sof(C13)=Sof(H13C)=Sof(H13D)=Sof(C12)=
 Sof(H12C)=Sof(H12D)=Sof(C11)=Sof(H11C)=Sof(H11D)=FVAR(1)
6.a Secondary CH2 refined with riding coordinates:
 C10A(H10A,H10B), C13A(H13A,H13B), C11A(H11A,H11B), C12A(H12A,H12B), C10(H10C,
 H10D), C13(H13C,H13D), C12(H12C,H12D), C11(H11C,H11D)
6.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C5(H5A,H5B,H5C), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C7(H7A,
 H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C)
;
_olex2_submission_original_sample_id RMSO20
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Al1 Al 0.34769(9) 0.53589(8) 0.24949(11) 0.0489(4) Uani 1 1 d . . . . .
Si2 Si 0.13866(9) 0.62933(8) 0.23591(12) 0.0572(4) Uani 1 1 d . . . . .
Si1 Si 0.16484(10) 0.42552(9) 0.30970(13) 0.0634(4) Uani 1 1 d . . . . .
N2 N 0.4787(3) 0.7455(2) 0.4817(3) 0.0504(8) Uani 1 1 d . . . . .
N1 N 0.4265(2) 0.6638(2) 0.4575(3) 0.0432(8) Uani 1 1 d . . . . .
N4 N 0.2124(2) 0.5316(2) 0.2681(3) 0.0507(8) Uani 1 1 d . . . . .
N3 N 0.4739(3) 0.7064(2) 0.2912(3) 0.0528(9) Uani 1 1 d . . . . .
C3 C 0.4214(3) 0.6398(3) 0.3437(3) 0.0437(9) Uani 1 1 d . . . . .
C2 C 0.5052(3) 0.7675(3) 0.3768(4) 0.0546(11) Uani 1 1 d . . . . .
C1 C 0.3862(4) 0.6128(3) 0.5509(4) 0.0583(11) Uani 1 1 d . . . . .
H1A H 0.4413 0.5817 0.5998 0.088 Uiso 1 1 calc GR . . . .
H1B H 0.3383 0.5653 0.5173 0.088 Uiso 1 1 calc GR . . . .
H1C H 0.3519 0.6567 0.5990 0.088 Uiso 1 1 calc GR . . . .
C5 C 0.0722(5) 0.6690(5) 0.3612(6) 0.109(2) Uani 1 1 d . . . . .
H5A H 0.0184 0.6243 0.3733 0.164 Uiso 1 1 calc GR . . . .
H5B H 0.0431 0.7315 0.3442 0.164 Uiso 1 1 calc GR . . . .
H5C H 0.1200 0.6722 0.4322 0.164 Uiso 1 1 calc GR . . . .
C4 C 0.2155(4) 0.7307(4) 0.1928(7) 0.117(3) Uani 1 1 d . . . . .
H4A H 0.2547 0.7567 0.2627 0.175 Uiso 1 1 calc GR . . . .
H4B H 0.1709 0.7796 0.1559 0.175 Uiso 1 1 calc GR . . . .
H4C H 0.2612 0.7092 0.1373 0.175 Uiso 1 1 calc GR . . . .
C6 C 0.0452(4) 0.6123(4) 0.1046(5) 0.0865(17) Uani 1 1 d . . . . .
H6A H 0.0805 0.5975 0.0365 0.130 Uiso 1 1 calc GR . . . .
H6B H 0.0059 0.6702 0.0894 0.130 Uiso 1 1 calc GR . . . .
H6C H -0.0001 0.5603 0.1190 0.130 Uiso 1 1 calc GR . . . .
C7 C 0.0254(4) 0.4260(4) 0.3171(6) 0.0964(19) Uani 1 1 d . . . . .
H7A H 0.0081 0.4766 0.3694 0.145 Uiso 1 1 calc GR . . . .
H7B H 0.0047 0.3653 0.3472 0.145 Uiso 1 1 calc GR . . . .
H7C H -0.0095 0.4364 0.2385 0.145 Uiso 1 1 calc GR . . . .
C8 C 0.2215(5) 0.3917(4) 0.4587(5) 0.0977(19) Uani 1 1 d . . . . .
H8A H 0.2943 0.3837 0.4586 0.147 Uiso 1 1 calc GR . . . .
H8B H 0.1917 0.3325 0.4817 0.147 Uiso 1 1 calc GR . . . .
H8C H 0.2085 0.4413 0.5145 0.147 Uiso 1 1 calc GR . . . .
C9 C 0.1867(5) 0.3305(4) 0.2041(6) 0.0930(19) Uani 1 1 d . . . . .
H9A H 0.1595 0.3498 0.1249 0.140 Uiso 1 1 calc GR . . . .
H9B H 0.1530 0.2728 0.2255 0.140 Uiso 1 1 calc GR . . . .
H9C H 0.2591 0.3188 0.2061 0.140 Uiso 1 1 calc GR . . . .
Li1 Li 0.4900(6) 0.6727(6) 0.1257(6) 0.0618(19) Uani 1 1 d . . . . .
O1A O 0.620(2) 0.606(3) 0.126(2) 0.084(2) Uani 0.326(7) 1 d D . P A 1
C10A C 0.6540(13) 0.5663(15) 0.240(2) 0.103(2) Uani 0.326(7) 1 d D . P A 1
H10A H 0.6025 0.5235 0.2665 0.124 Uiso 0.326(7) 1 calc R . P A 1
H10B H 0.6681 0.6168 0.2993 0.124 Uiso 0.326(7) 1 calc R . P A 1
C13A C 0.6914(19) 0.5936(17) 0.043(3) 0.122(3) Uani 0.326(7) 1 d D . P A 1
H13A H 0.7318 0.6513 0.0363 0.146 Uiso 0.326(7) 1 calc R . P A 1
H13B H 0.6572 0.5771 -0.0353 0.146 Uiso 0.326(7) 1 calc R . P A 1
C11A C 0.7473(16) 0.5139(17) 0.2232(19) 0.102(3) Uani 0.326(7) 1 d D . P A 1
H11A H 0.7435 0.4491 0.2541 0.122 Uiso 0.326(7) 1 calc R . P A 1
H11B H 0.8063 0.5457 0.2659 0.122 Uiso 0.326(7) 1 calc R . P A 1
C12A C 0.7581(19) 0.5110(19) 0.095(2) 0.122(3) Uani 0.326(7) 1 d D . P A 1
H12A H 0.7341 0.4502 0.0603 0.146 Uiso 0.326(7) 1 calc R . P A 1
H12B H 0.8291 0.5203 0.0807 0.146 Uiso 0.326(7) 1 calc R . P A 1
O1 O 0.6030(9) 0.5952(11) 0.1157(12) 0.084(2) Uani 0.674(7) 1 d D U P A 2
C10 C 0.6161(7) 0.4998(7) 0.1494(11) 0.103(2) Uani 0.674(7) 1 d D U P A 2
H10C H 0.5779 0.4590 0.0903 0.124 Uiso 0.674(7) 1 calc R . P A 2
H10D H 0.5895 0.4897 0.2255 0.124 Uiso 0.674(7) 1 calc R . P A 2
C13 C 0.6963(8) 0.6319(8) 0.0963(14) 0.122(3) Uani 0.674(7) 1 d D U P A 2
H13C H 0.7079 0.6921 0.1390 0.146 Uiso 0.674(7) 1 calc R . P A 2
H13D H 0.6977 0.6443 0.0117 0.146 Uiso 0.674(7) 1 calc R . P A 2
C12 C 0.7755(7) 0.5644(8) 0.1370(14) 0.122(3) Uani 0.674(7) 1 d D U P A 2
H12C H 0.8148 0.5871 0.2097 0.146 Uiso 0.674(7) 1 calc R . P A 2
H12D H 0.8217 0.5546 0.0764 0.146 Uiso 0.674(7) 1 calc R . P A 2
C11 C 0.7203(7) 0.4744(7) 0.1595(13) 0.102(3) Uani 0.674(7) 1 d D U P A 2
H11C H 0.7326 0.4257 0.1010 0.122 Uiso 0.674(7) 1 calc R . P A 2
H11D H 0.7425 0.4498 0.2388 0.122 Uiso 0.674(7) 1 calc R . P A 2
H2A H 0.538(3) 0.820(3) 0.366(4) 0.057(13) Uiso 1 1 d . . . . .
H1 H 0.394(3) 0.439(2) 0.286(3) 0.043(10) Uiso 1 1 d . . . . .
H2 H 0.373(3) 0.561(3) 0.117(4) 0.064(12) Uiso 1 1 d . . . . .
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'
Al Al 0.0645 0.0514 '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_
_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
N4 Al1 C3 112.87(15) . .
N4 Al1 Li1 135.89(18) . .
N4 Al1 H1 108.2(13) . .
N4 Al1 H2 115.1(15) . .
C3 Al1 Li1 60.68(18) . .
C3 Al1 H1 110.2(13) . .
C3 Al1 H2 101.6(14) . .
Li1 Al1 H1 114.9(13) . .
Li1 Al1 H2 41.5(14) . .
H1 Al1 H2 108.8(19) . .
N4 Si2 C5 113.0(2) . .
N4 Si2 C4 111.1(2) . .
N4 Si2 C6 112.8(2) . .
C5 Si2 C4 107.2(3) . .
C5 Si2 C6 109.2(3) . .
C6 Si2 C4 103.0(3) . .
N4 Si1 C7 114.1(2) . .
N4 Si1 C8 110.8(2) . .
N4 Si1 C9 111.4(2) . .
C8 Si1 C7 105.4(3) . .
C8 Si1 C9 109.6(3) . .
C9 Si1 C7 105.1(3) . .
N1 N2 Li1 130.4(3) . 4_576
C2 N2 N1 101.3(3) . .
C2 N2 Li1 127.3(4) . 4_576
N2 N1 C1 119.8(3) . .
C3 N1 N2 112.5(3) . .
C3 N1 C1 127.6(3) . .
Si2 N4 Al1 119.65(18) . .
Si2 N4 Si1 123.0(2) . .
Si1 N4 Al1 117.23(18) . .
C3 N3 Li1 111.8(3) . .
C2 N3 C3 105.0(3) . .
C2 N3 Li1 142.6(4) . .
N1 C3 Al1 132.4(3) . .
N1 C3 N3 106.4(3) . .
N3 C3 Al1 121.0(3) . .
N2 C2 N3 114.8(4) . .
N2 C2 H2A 121(3) . .
N3 C2 H2A 124(3) . .
N1 C1 H1A 109.5 . .
N1 C1 H1B 109.5 . .
N1 C1 H1C 109.5 . .
H1A C1 H1B 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
Si2 C5 H5A 109.5 . .
Si2 C5 H5B 109.5 . .
Si2 C5 H5C 109.5 . .
H5A C5 H5B 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
Si2 C4 H4A 109.5 . .
Si2 C4 H4B 109.5 . .
Si2 C4 H4C 109.5 . .
H4A C4 H4B 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
Si2 C6 H6A 109.5 . .
Si2 C6 H6B 109.5 . .
Si2 C6 H6C 109.5 . .
H6A C6 H6B 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
Si1 C7 H7A 109.5 . .
Si1 C7 H7B 109.5 . .
Si1 C7 H7C 109.5 . .
H7A C7 H7B 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
Si1 C8 H8A 109.5 . .
Si1 C8 H8B 109.5 . .
Si1 C8 H8C 109.5 . .
H8A C8 H8B 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
Si1 C9 H9A 109.5 . .
Si1 C9 H9B 109.5 . .
Si1 C9 H9C 109.5 . .
H9A C9 H9B 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
Al1 Li1 H2 29.2(11) . .
N2 Li1 Al1 136.8(4) 4_575 .
N2 Li1 H2 112.8(11) 4_575 .
N3 Li1 Al1 65.5(2) . .
N3 Li1 N2 129.6(4) . 4_575
N3 Li1 H2 93.8(11) . .
O1A Li1 Al1 106.1(9) . .
O1A Li1 N2 105.4(8) . 4_575
O1A Li1 N3 107.4(9) . .
O1A Li1 H2 105.6(15) . .
O1 Li1 Al1 101.3(5) . .
O1 Li1 N2 106.0(5) . 4_575
O1 Li1 N3 111.7(6) . .
O1 Li1 H2 98.2(12) . .
C10A O1A Li1 112.0(17) . .
C13A O1A Li1 134.8(19) . .
C13A O1A C10A 113(2) . .
O1A C10A H10A 110.8 . .
O1A C10A H10B 110.8 . .
O1A C10A C11A 104.9(19) . .
H10A C10A H10B 108.8 . .
C11A C10A H10A 110.8 . .
C11A C10A H10B 110.8 . .
O1A C13A H13A 111.1 . .
O1A C13A H13B 111.1 . .
O1A C13A C12A 103(2) . .
H13A C13A H13B 109.0 . .
C12A C13A H13A 111.1 . .
C12A C13A H13B 111.1 . .
C10A C11A H11A 110.0 . .
C10A C11A H11B 110.0 . .
C10A C11A C12A 108.5(18) . .
H11A C11A H11B 108.4 . .
C12A C11A H11A 110.0 . .
C12A C11A H11B 110.0 . .
C13A C12A H12A 110.9 . .
C13A C12A H12B 110.9 . .
C11A C12A C13A 104.1(19) . .
C11A C12A H12A 110.9 . .
C11A C12A H12B 110.9 . .
H12A C12A H12B 109.0 . .
C10 O1 Li1 128.2(8) . .
C13 O1 Li1 122.1(11) . .
C13 O1 C10 108.4(11) . .
O1 C10 H10C 109.5 . .
O1 C10 H10D 109.5 . .
O1 C10 C11 110.7(9) . .
H10C C10 H10D 108.1 . .
C11 C10 H10C 109.5 . .
C11 C10 H10D 109.5 . .
O1 C13 H13C 109.8 . .
O1 C13 H13D 109.8 . .
O1 C13 C12 109.5(10) . .
H13C C13 H13D 108.2 . .
C12 C13 H13C 109.8 . .
C12 C13 H13D 109.8 . .
C13 C12 H12C 110.8 . .
C13 C12 H12D 110.8 . .
C13 C12 C11 104.9(8) . .
H12C C12 H12D 108.8 . .
C11 C12 H12C 110.8 . .
C11 C12 H12D 110.8 . .
C10 C11 C12 105.2(8) . .
C10 C11 H11C 110.7 . .
C10 C11 H11D 110.7 . .
C12 C11 H11C 110.7 . .
C12 C11 H11D 110.7 . .
H11C C11 H11D 108.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Al1 N4 1.846(3) .
Al1 C3 2.021(4) .
Al1 Li1 3.164(8) .
Al1 H1 1.55(3) .
Al1 H2 1.63(4) .
Si2 N4 1.719(3) .
Si2 C5 1.860(6) .
Si2 C4 1.867(5) .
Si2 C6 1.865(5) .
Si1 N4 1.723(3) .
Si1 C7 1.876(5) .
Si1 C8 1.856(6) .
Si1 C9 1.859(5) .
N2 N1 1.367(4) .
N2 C2 1.330(5) .
N2 Li1 2.012(8) 4_576
N1 C3 1.344(5) .
N1 C1 1.447(5) .
N3 C3 1.357(5) .
N3 C2 1.343(5) .
N3 Li1 1.994(8) .
C2 H2A 0.88(4) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
Li1 N2 2.012(8) 4_575
Li1 O1A 1.98(3) .
Li1 O1 1.883(16) .
Li1 H2 2.22(4) .
O1A C10A 1.451(19) .
O1A C13A 1.432(19) .
C10A H10A 0.9900 .
C10A H10B 0.9900 .
C10A C11A 1.484(16) .
C13A H13A 0.9900 .
C13A H13B 0.9900 .
C13A C12A 1.552(17) .
C11A H11A 0.9900 .
C11A H11B 0.9900 .
C11A C12A 1.496(18) .
C12A H12A 0.9900 .
C12A H12B 0.9900 .
O1 C10 1.415(14) .
O1 C13 1.391(14) .
C10 H10C 0.9900 .
C10 H10D 0.9900 .
C10 C11 1.431(10) .
C13 H13C 0.9900 .
C13 H13D 0.9900 .
C13 C12 1.465(12) .
C12 H12C 0.9900 .
C12 H12D 0.9900 .
C12 C11 1.513(12) .
C11 H11C 0.9900 .
C11 H11D 0.9900 .
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
Al1 Li1 O1 C10 3.2(14) .
Al1 Li1 O1 C13 -162.3(12) .
N2 N1 C3 Al1 -174.3(3) .
N2 N1 C3 N3 1.4(4) .
N2 Li1 O1 C10 -143.0(12) 4_575
N2 Li1 O1 C13 51.6(14) 4_575
N1 N2 C2 N3 -0.2(5) .
N3 Li1 O1 C10 71.1(15) .
N3 Li1 O1 C13 -94.3(12) .
C3 Al1 N4 Si2 57.3(3) .
C3 Al1 N4 Si1 -126.3(2) .
C3 N3 C2 N2 1.0(5) .
C2 N2 N1 C3 -0.8(4) .
C2 N2 N1 C1 177.7(4) .
C2 N3 C3 Al1 174.9(3) .
C2 N3 C3 N1 -1.4(4) .
C1 N1 C3 Al1 7.4(6) .
C1 N1 C3 N3 -177.0(4) .
C5 Si2 N4 Al1 -123.8(3) .
C5 Si2 N4 Si1 60.1(4) .
C4 Si2 N4 Al1 -3.3(4) .
C4 Si2 N4 Si1 -179.4(3) .
C6 Si2 N4 Al1 111.8(3) .
C6 Si2 N4 Si1 -64.3(3) .
C7 Si1 N4 Al1 -176.3(3) .
C7 Si1 N4 Si2 -0.1(4) .
C8 Si1 N4 Al1 64.8(3) .
C8 Si1 N4 Si2 -118.9(3) .
C9 Si1 N4 Al1 -57.5(3) .
C9 Si1 N4 Si2 118.7(3) .
Li1 Al1 N4 Si2 -13.5(4) .
Li1 Al1 N4 Si1 162.9(2) .
Li1 N2 N1 C3 167.7(4) 4_576
Li1 N2 N1 C1 -13.9(6) 4_576
Li1 N2 C2 N3 -169.1(4) 4_576
Li1 N3 C3 Al1 -11.4(4) .
Li1 N3 C3 N1 172.3(3) .
Li1 N3 C2 N2 -169.4(5) .
Li1 O1A C10A C11A 176.2(19) .
Li1 O1A C13A C12A -165(3) .
Li1 O1 C10 C11 -163.4(11) .
Li1 O1 C13 C12 158.2(11) .
O1A Li1 O1 C10 130(8) .
O1A Li1 O1 C13 -35(7) .
O1A C10A C11A C12A -9(3) .
O1A C13A C12A C11A -24(3) .
C10A O1A C13A C12A 20(4) .
C10A C11A C12A C13A 20(3) .
C13A O1A C10A C11A -8(4) .
O1 C10 C11 C12 3.6(17) .
O1 C13 C12 C11 11.7(17) .
C10 O1 C13 C12 -9.8(17) .
C13 O1 C10 C11 3.7(17) .
C13 C12 C11 C10 -9.1(17) .
