#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:42:00 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179803 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/99/7009914.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_7009914
loop_
_publ_author_name
'Jones, Cameron'
'Junk, Peter C.'
'Leary, Stuart G.'
'Smithies, Neil A.'
_publ_section_title
;
 Syntheses and structural studies of lithium complexes of
 2-amino-6-methylpyridine †
;
_journal_issue                   18
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3186
_journal_paper_doi               10.1039/b004322m
_journal_year                    2000
_chemical_formula_sum            'C32 H52 Li4 N8 O4 Si4'
_chemical_formula_weight         752.94
_chemical_name_systematic
;
 ?
;
_space_group_IT_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                93.880(4)
_cell_angle_beta                 97.690(5)
_cell_angle_gamma                102.459(4)
_cell_formula_units_Z            2
_cell_length_a                   10.766(2)
_cell_length_b                   11.486(2)
_cell_length_c                   18.049(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2149.0(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_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  0.0783
_diffrn_reflns_av_sigmaI/netI    0.1164
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9728
_diffrn_reflns_theta_full        23.35
_diffrn_reflns_theta_max         23.35
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    0.180
_exptl_absorpt_correction_T_max  0.9683
_exptl_absorpt_correction_T_min  0.9513
_exptl_crystal_density_diffrn    1.164
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.283
_refine_diff_density_min         -0.468
_refine_diff_density_rms         0.074
_refine_ls_extinction_coef       0.0040(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.933
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         6152
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.933
_refine_ls_R_factor_all          0.1361
_refine_ls_R_factor_gt           0.0701
_refine_ls_shift/su_max          0.153
_refine_ls_shift/su_mean         0.008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1053P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1657
_refine_ls_wR_factor_ref         0.2068
_reflns_number_gt                3075
_reflns_number_total             6152
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b004322m.txt
_cod_data_source_block           pj021
_cod_original_cell_volume        2148.9(8)
_cod_database_code               7009914
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
Li1 Li 0.8004(8) 0.3110(8) 0.1659(5) 0.055(2) Uani 1 1 d . . .
Li2 Li 0.6349(8) 0.1600(8) 0.2175(5) 0.052(2) Uani 1 1 d . . .
Li3 Li 0.8575(8) 0.2320(8) 0.2917(5) 0.053(2) Uani 1 1 d . . .
Li4 Li 0.7022(8) 0.3745(7) 0.2790(5) 0.048(2) Uani 1 1 d . . .
N1A N 0.8083(4) 0.3352(4) 0.0538(2) 0.0565(12) Uani 1 1 d . . .
N2A N 0.5867(5) 0.2988(5) 0.0253(3) 0.0678(15) Uani 1 1 d . . .
C1A C 0.7026(6) 0.3028(5) 0.0014(3) 0.0615(16) Uani 1 1 d . . .
C2A C 0.7111(7) 0.2693(6) -0.0739(3) 0.085(2) Uani 1 1 d . . .
H2A H 0.6375 0.2463 -0.1097 0.142(4) Uiso 1 1 calc R . .
C3A C 0.8290(8) 0.2714(7) -0.0931(4) 0.105(3) Uani 1 1 d . . .
H3A H 0.8363 0.2488 -0.1425 0.142(4) Uiso 1 1 calc R . .
C4A C 0.9376(7) 0.3064(6) -0.0404(4) 0.092(2) Uani 1 1 d . . .
H4A H 1.0185 0.3088 -0.0539 0.142(4) Uiso 1 1 calc R . .
C5A C 0.9249(6) 0.3379(6) 0.0326(3) 0.0693(17) Uani 1 1 d . . .
C6A C 1.0378(6) 0.3762(7) 0.0933(4) 0.093(2) Uani 1 1 d . . .
H6A1 H 1.0088 0.3937 0.1400 0.142(4) Uiso 1 1 calc R . .
H6A2 H 1.0944 0.4466 0.0810 0.142(4) Uiso 1 1 calc R . .
H6A3 H 1.0831 0.3130 0.0980 0.142(4) Uiso 1 1 calc R . .
Si1A Si 0.55303(15) 0.36145(15) 0.10887(9) 0.0614(5) Uani 1 1 d . . .
O1A O 0.6222(3) 0.3125(3) 0.17893(18) 0.0509(9) Uani 1 1 d . . .
C7A C 0.6044(7) 0.5249(6) 0.1101(4) 0.101(2) Uani 1 1 d . . .
H7A1 H 0.5597 0.5506 0.0668 0.142(4) Uiso 1 1 calc R . .
H7A2 H 0.6954 0.5469 0.1094 0.142(4) Uiso 1 1 calc R . .
H7A3 H 0.5848 0.5627 0.1548 0.142(4) Uiso 1 1 calc R . .
C8A C 0.3753(6) 0.3204(7) 0.0963(4) 0.093(2) Uani 1 1 d . . .
H8A1 H 0.3411 0.3539 0.0529 0.142(4) Uiso 1 1 calc R . .
H8A2 H 0.3462 0.3514 0.1400 0.142(4) Uiso 1 1 calc R . .
H8A3 H 0.3463 0.2348 0.0896 0.142(4) Uiso 1 1 calc R . .
N1B N 0.5455(4) -0.0268(4) 0.2136(3) 0.0589(12) Uani 1 1 d . . .
N2B N 0.7351(5) -0.0855(5) 0.2068(3) 0.0700(16) Uani 1 1 d . . .
C1B C 0.6189(6) -0.1053(5) 0.2319(3) 0.0596(15) Uani 1 1 d . . .
C2B C 0.5761(6) -0.2012(5) 0.2730(4) 0.0778(19) Uani 1 1 d . . .
H2B H 0.6281 -0.2542 0.2854 0.142(4) Uiso 1 1 calc R . .
C3B C 0.4579(7) -0.2163(6) 0.2947(4) 0.087(2) Uani 1 1 d . . .
H3B H 0.4296 -0.2777 0.3237 0.142(4) Uiso 1 1 calc R . .
C4B C 0.3800(6) -0.1392(6) 0.2730(4) 0.0738(18) Uani 1 1 d . . .
H4B H 0.2974 -0.1499 0.2853 0.142(4) Uiso 1 1 calc R . .
C5B C 0.4276(6) -0.0470(5) 0.2332(3) 0.0643(16) Uani 1 1 d . . .
C6B C 0.3487(6) 0.0421(6) 0.2069(4) 0.087(2) Uani 1 1 d . . .
H6B1 H 0.3989 0.1003 0.1805 0.142(4) Uiso 1 1 calc R . .
H6B2 H 0.3252 0.0819 0.2496 0.142(4) Uiso 1 1 calc R . .
H6B3 H 0.2722 0.0002 0.1740 0.142(4) Uiso 1 1 calc R . .
Si1B Si 0.80176(16) 0.02465(14) 0.15311(10) 0.0625(5) Uani 1 1 d . . .
O1B O 0.8046(3) 0.1526(3) 0.19194(17) 0.0487(9) Uani 1 1 d . . .
C7B C 0.9618(6) -0.0067(6) 0.1470(4) 0.096(2) Uani 1 1 d . . .
H7B1 H 0.9513 -0.0860 0.1228 0.142(4) Uiso 1 1 calc R . .
H7B2 H 1.0091 -0.0009 0.1967 0.142(4) Uiso 1 1 calc R . .
H7B3 H 1.0082 0.0506 0.1184 0.142(4) Uiso 1 1 calc R . .
C8B C 0.7058(7) -0.0057(6) 0.0585(4) 0.098(2) Uani 1 1 d . . .
H8B1 H 0.7068 -0.0844 0.0374 0.142(4) Uiso 1 1 calc R . .
H8B2 H 0.7418 0.0526 0.0270 0.142(4) Uiso 1 1 calc R . .
H8B3 H 0.6187 -0.0011 0.0619 0.142(4) Uiso 1 1 calc R . .
N1C N 0.9362(4) 0.1258(4) 0.3668(2) 0.0575(12) Uani 1 1 d . . .
N2C N 0.7439(5) 0.0508(4) 0.4081(3) 0.0669(14) Uani 1 1 d . . .
C1C C 0.8614(6) 0.0360(5) 0.3949(3) 0.0622(16) Uani 1 1 d . . .
C2C C 0.8990(8) -0.0705(6) 0.4111(4) 0.091(2) Uani 1 1 d . . .
H2C H 0.8440 -0.1332 0.4285 0.142(4) Uiso 1 1 calc R . .
C3C C 1.0213(9) -0.0774(7) 0.3999(4) 0.102(3) Uani 1 1 d . . .
H3C H 1.0502 -0.1459 0.4105 0.142(4) Uiso 1 1 calc R . .
C4C C 1.1004(7) 0.0140(8) 0.3736(4) 0.096(2) Uani 1 1 d . . .
H4C H 1.1837 0.0093 0.3676 0.142(4) Uiso 1 1 calc R . .
C5C C 1.0553(6) 0.1137(6) 0.3559(3) 0.0692(17) Uani 1 1 d . . .
C6C C 1.1308(6) 0.2152(6) 0.3217(4) 0.084(2) Uani 1 1 d . . .
H6C1 H 1.0809 0.2743 0.3133 0.142(4) Uiso 1 1 calc R . .
H6C2 H 1.1510 0.1860 0.2747 0.142(4) Uiso 1 1 calc R . .
H6C3 H 1.2091 0.2506 0.3551 0.142(4) Uiso 1 1 calc R . .
Si1C Si 0.68009(15) 0.17850(14) 0.40150(9) 0.0574(5) Uani 1 1 d . . .
O1C O 0.6853(3) 0.2251(3) 0.32178(17) 0.0468(9) Uani 1 1 d . . .
C7C C 0.5165(6) 0.1292(6) 0.4247(4) 0.086(2) Uani 1 1 d . . .
H7C1 H 0.5216 0.1020 0.4739 0.142(4) Uiso 1 1 calc R . .
H7C2 H 0.4681 0.0650 0.3885 0.142(4) Uiso 1 1 calc R . .
H7C3 H 0.4747 0.1951 0.4238 0.142(4) Uiso 1 1 calc R . .
C8C C 0.7745(6) 0.2915(5) 0.4766(3) 0.0780(19) Uani 1 1 d . . .
H8C1 H 0.7694 0.2601 0.5243 0.142(4) Uiso 1 1 calc R . .
H8C2 H 0.7408 0.3624 0.4760 0.142(4) Uiso 1 1 calc R . .
H8C3 H 0.8628 0.3111 0.4687 0.142(4) Uiso 1 1 calc R . .
N1D N 0.7082(4) 0.5199(4) 0.3563(2) 0.0491(11) Uani 1 1 d . . .
N2D N 0.9292(5) 0.5654(4) 0.3856(3) 0.0622(15) Uani 1 1 d . . .
C1D C 0.8126(5) 0.5742(4) 0.4056(3) 0.0519(14) Uani 1 1 d . . .
C2D C 0.8045(7) 0.6378(5) 0.4736(3) 0.0699(17) Uani 1 1 d . . .
H2D H 0.8782 0.6750 0.5068 0.142(4) Uiso 1 1 calc R . .
C3D C 0.6852(7) 0.6433(6) 0.4891(4) 0.081(2) Uani 1 1 d . . .
H3D H 0.6770 0.6836 0.5339 0.142(4) Uiso 1 1 calc R . .
C4D C 0.5765(7) 0.5892(6) 0.4386(4) 0.0738(18) Uani 1 1 d . . .
H4D H 0.4952 0.5950 0.4482 0.142(4) Uiso 1 1 calc R . .
C5D C 0.5914(6) 0.5266(5) 0.3738(3) 0.0602(15) Uani 1 1 d . . .
C6D C 0.4784(5) 0.4611(6) 0.3184(4) 0.0788(19) Uani 1 1 d . . .
H6D1 H 0.5078 0.4234 0.2771 0.142(4) Uiso 1 1 calc R . .
H6D2 H 0.4292 0.5166 0.3002 0.142(4) Uiso 1 1 calc R . .
H6D3 H 0.4254 0.4012 0.3423 0.142(4) Uiso 1 1 calc R . .
Si1D Si 0.96406(14) 0.52763(13) 0.29633(9) 0.0530(5) Uani 1 1 d . . .
O1D O 0.8871(3) 0.3977(3) 0.26389(18) 0.0485(9) Uani 1 1 d . . .
C7D C 1.1424(5) 0.5494(6) 0.3134(4) 0.0792(19) Uani 1 1 d . . .
H7D1 H 1.1809 0.6309 0.3331 0.142(4) Uiso 1 1 calc R . .
H7D2 H 1.1723 0.5322 0.2670 0.142(4) Uiso 1 1 calc R . .
H7D3 H 1.1659 0.4964 0.3489 0.142(4) Uiso 1 1 calc R . .
C8D C 0.9238(6) 0.6445(5) 0.2375(3) 0.0802(19) Uani 1 1 d . . .
H8D1 H 0.9732 0.7218 0.2595 0.142(4) Uiso 1 1 calc R . .
H8D2 H 0.8337 0.6428 0.2344 0.142(4) Uiso 1 1 calc R . .
H8D3 H 0.9438 0.6294 0.1879 0.142(4) Uiso 1 1 calc R . .
H1A H 0.530(5) 0.278(5) -0.008(3) 0.061(19) Uiso 1 1 d . . .
H1B H 0.773(5) -0.131(5) 0.218(3) 0.06(2) Uiso 1 1 d . . .
H1C H 0.693(6) -0.004(6) 0.427(3) 0.10(2) Uiso 1 1 d . . .
H1D H 0.984(5) 0.599(5) 0.416(3) 0.056(19) 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'
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'
O O 0.0106 0.0060 '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
_geom_angle_publ_flag
O1B Li1 O1A 99.3(4) . . ?
O1B Li1 O1D 97.0(4) . . ?
O1A Li1 O1D 98.0(4) . . ?
O1B Li1 N1A 114.9(5) . . ?
O1A Li1 N1A 104.8(4) . . ?
O1D Li1 N1A 136.3(5) . . ?
O1B Li1 Li2 50.1(3) . . ?
O1A Li1 Li2 49.6(3) . . ?
O1D Li1 Li2 96.4(4) . . ?
N1A Li1 Li2 126.7(4) . . ?
O1B Li1 Li3 48.3(3) . . ?
O1A Li1 Li3 95.3(4) . . ?
O1D Li1 Li3 49.7(3) . . ?
N1A Li1 Li3 156.4(5) . . ?
Li2 Li1 Li3 59.6(3) . . ?
O1B Li1 Li4 96.5(4) . . ?
O1A Li1 Li4 47.9(3) . . ?
O1D Li1 Li4 50.7(3) . . ?
N1A Li1 Li4 142.8(5) . . ?
Li2 Li1 Li4 60.1(3) . . ?
Li3 Li1 Li4 60.7(3) . . ?
O1B Li1 Si1A 118.6(4) . . ?
O1A Li1 Si1A 30.58(17) . . ?
O1D Li1 Si1A 115.8(4) . . ?
N1A Li1 Si1A 75.1(3) . . ?
Li2 Li1 Si1A 74.7(3) . . ?
Li3 Li1 Si1A 125.9(4) . . ?
Li4 Li1 Si1A 72.5(3) . . ?
O1C Li2 O1A 95.5(4) . . ?
O1C Li2 O1B 99.3(4) . . ?
O1A Li2 O1B 98.4(4) . . ?
O1C Li2 N1B 108.6(4) . . ?
O1A Li2 N1B 145.7(5) . . ?
O1B Li2 N1B 101.3(4) . . ?
O1C Li2 Li1 96.3(4) . . ?
O1A Li2 Li1 50.2(3) . . ?
O1B Li2 Li1 48.6(3) . . ?
N1B Li2 Li1 144.6(5) . . ?
O1C Li2 Li3 50.9(3) . . ?
O1A Li2 Li3 96.6(4) . . ?
O1B Li2 Li3 48.7(3) . . ?
N1B Li2 Li3 117.5(4) . . ?
Li1 Li2 Li3 60.7(3) . . ?
O1C Li2 Li4 48.2(3) . . ?
O1A Li2 Li4 48.2(3) . . ?
O1B Li2 Li4 95.8(4) . . ?
N1B Li2 Li4 153.6(5) . . ?
Li1 Li2 Li4 60.5(3) . . ?
Li3 Li2 Li4 61.3(3) . . ?
O1C Li2 Si1B 117.3(4) . . ?
O1A Li2 Si1B 118.0(4) . . ?
O1B Li2 Si1B 30.37(17) . . ?
N1B Li2 Si1B 72.4(3) . . ?
Li1 Li2 Si1B 73.8(3) . . ?
Li3 Li2 Si1B 72.5(3) . . ?
Li4 Li2 Si1B 126.1(3) . . ?
O1B Li3 O1D 97.3(4) . . ?
O1B Li3 O1C 99.1(4) . . ?
O1D Li3 O1C 96.8(4) . . ?
O1B Li3 N1C 112.7(5) . . ?
O1D Li3 N1C 140.9(4) . . ?
O1C Li3 N1C 102.2(4) . . ?
O1B Li3 Li2 50.2(3) . . ?
O1D Li3 Li2 96.7(4) . . ?
O1C Li3 Li2 49.2(3) . . ?
N1C Li3 Li2 121.5(4) . . ?
O1B Li3 Li1 48.4(3) . . ?
O1D Li3 Li1 49.9(3) . . ?
O1C Li3 Li1 94.3(4) . . ?
N1C Li3 Li1 157.2(5) . . ?
Li2 Li3 Li1 59.7(3) . . ?
O1B Li3 Li4 95.7(4) . . ?
O1D Li3 Li4 50.2(3) . . ?
O1C Li3 Li4 47.3(3) . . ?
N1C Li3 Li4 142.6(5) . . ?
Li2 Li3 Li4 59.8(3) . . ?
Li1 Li3 Li4 59.7(3) . . ?
O1B Li3 Si1C 117.9(4) . . ?
O1D Li3 Si1C 114.8(4) . . ?
O1C Li3 Si1C 30.06(16) . . ?
N1C Li3 Si1C 73.3(3) . . ?
Li2 Li3 Si1C 73.3(3) . . ?
Li1 Li3 Si1C 124.3(4) . . ?
Li4 Li3 Si1C 72.0(3) . . ?
O1C Li4 O1A 97.7(4) . . ?
O1C Li4 O1D 98.1(4) . . ?
O1A Li4 O1D 98.8(4) . . ?
O1C Li4 N1D 113.8(4) . . ?
O1A Li4 N1D 138.7(5) . . ?
O1D Li4 N1D 102.3(4) . . ?
O1C Li4 Li1 96.0(4) . . ?
O1A Li4 Li1 49.8(3) . . ?
O1D Li4 Li1 49.6(3) . . ?
N1D Li4 Li1 142.8(4) . . ?
O1C Li4 Li2 49.1(3) . . ?
O1A Li4 Li2 49.5(3) . . ?
O1D Li4 Li2 95.1(4) . . ?
N1D Li4 Li2 157.7(4) . . ?
Li1 Li4 Li2 59.4(3) . . ?
O1C Li4 Li3 49.8(3) . . ?
O1A Li4 Li3 95.7(4) . . ?
O1D Li4 Li3 48.9(3) . . ?
N1D Li4 Li3 124.8(4) . . ?
Li1 Li4 Li3 59.5(3) . . ?
Li2 Li4 Li3 59.0(3) . . ?
O1C Li4 Si1D 116.5(4) . . ?
O1A Li4 Si1D 116.8(4) . . ?
O1D Li4 Si1D 30.06(15) . . ?
N1D Li4 Si1D 73.1(3) . . ?
Li1 Li4 Si1D 73.9(3) . . ?
Li2 Li4 Si1D 125.1(4) . . ?
Li3 Li4 Si1D 73.8(3) . . ?
C1A N1A C5A 118.8(5) . . ?
C1A N1A Li1 121.5(4) . . ?
C5A N1A Li1 114.6(5) . . ?
C1A N2A Si1A 129.5(5) . . ?
N1A C1A N2A 117.0(5) . . ?
N1A C1A C2A 121.3(6) . . ?
N2A C1A C2A 121.7(6) . . ?
C3A C2A C1A 118.5(7) . . ?
C2A C3A C4A 120.7(6) . . ?
C5A C4A C3A 118.9(7) . . ?
N1A C5A C4A 121.8(6) . . ?
N1A C5A C6A 115.9(5) . . ?
C4A C5A C6A 122.3(6) . . ?
O1A Si1A N2A 110.9(2) . . ?
O1A Si1A C7A 112.4(3) . . ?
N2A Si1A C7A 107.1(3) . . ?
O1A Si1A C8A 114.8(3) . . ?
N2A Si1A C8A 102.7(3) . . ?
C7A Si1A C8A 108.3(3) . . ?
O1A Si1A Li1 39.3(2) . . ?
N2A Si1A Li1 81.3(3) . . ?
C7A Si1A Li1 98.8(3) . . ?
C8A Si1A Li1 149.8(3) . . ?
Si1A O1A Li4 136.7(3) . . ?
Si1A O1A Li2 139.6(3) . . ?
Li4 O1A Li2 82.3(4) . . ?
Si1A O1A Li1 110.1(3) . . ?
Li4 O1A Li1 82.4(4) . . ?
Li2 O1A Li1 80.2(4) . . ?
C5B N1B C1B 117.6(5) . . ?
C5B N1B Li2 113.4(4) . . ?
C1B N1B Li2 119.4(4) . . ?
C1B N2B Si1B 129.5(5) . . ?
N1B C1B N2B 115.7(5) . . ?
N1B C1B C2B 121.3(6) . . ?
N2B C1B C2B 123.0(6) . . ?
C3B C2B C1B 119.4(6) . . ?
C2B C3B C4B 119.3(6) . . ?
C5B C4B C3B 118.4(6) . . ?
N1B C5B C4B 123.8(6) . . ?
N1B C5B C6B 114.2(5) . . ?
C4B C5B C6B 122.0(6) . . ?
O1B Si1B N2B 110.1(2) . . ?
O1B Si1B C8B 112.7(3) . . ?
N2B Si1B C8B 107.5(3) . . ?
O1B Si1B C7B 114.9(3) . . ?
N2B Si1B C7B 102.4(3) . . ?
C8B Si1B C7B 108.5(3) . . ?
O1B Si1B Li2 39.0(2) . . ?
N2B Si1B Li2 83.9(3) . . ?
C8B Si1B Li2 95.3(3) . . ?
C7B Si1B Li2 151.7(3) . . ?
Si1B O1B Li3 135.3(3) . . ?
Si1B O1B Li1 139.8(3) . . ?
Li3 O1B Li1 83.3(4) . . ?
Si1B O1B Li2 110.7(3) . . ?
Li3 O1B Li2 81.1(4) . . ?
Li1 O1B Li2 81.2(4) . . ?
C1C N1C C5C 117.7(5) . . ?
C1C N1C Li3 121.5(4) . . ?
C5C N1C Li3 113.6(5) . . ?
C1C N2C Si1C 128.8(4) . . ?
N1C C1C N2C 117.2(5) . . ?
N1C C1C C2C 123.1(6) . . ?
N2C C1C C2C 119.7(6) . . ?
C3C C2C C1C 116.7(7) . . ?
C4C C3C C2C 121.3(7) . . ?
C3C C4C C5C 118.9(7) . . ?
N1C C5C C4C 122.2(6) . . ?
N1C C5C C6C 114.5(5) . . ?
C4C C5C C6C 123.3(7) . . ?
O1C Si1C N2C 111.2(2) . . ?
O1C Si1C C8C 111.7(2) . . ?
N2C Si1C C8C 106.8(3) . . ?
O1C Si1C C7C 114.6(3) . . ?
N2C Si1C C7C 103.7(3) . . ?
C8C Si1C C7C 108.3(3) . . ?
O1C Si1C Li3 39.3(2) . . ?
N2C Si1C Li3 82.9(3) . . ?
C8C Si1C Li3 96.1(3) . . ?
C7C Si1C Li3 151.2(3) . . ?
Si1C O1C Li4 138.0(3) . . ?
Si1C O1C Li2 137.7(3) . . ?
Li4 O1C Li2 82.7(4) . . ?
Si1C O1C Li3 110.7(3) . . ?
Li4 O1C Li3 82.8(4) . . ?
Li2 O1C Li3 79.9(4) . . ?
C1D N1D C5D 118.0(5) . . ?
C1D N1D Li4 124.0(4) . . ?
C5D N1D Li4 113.5(4) . . ?
C1D N2D Si1D 128.3(5) . . ?
N1D C1D N2D 116.0(5) . . ?
N1D C1D C2D 122.5(5) . . ?
N2D C1D C2D 121.5(6) . . ?
C3D C2D C1D 117.9(6) . . ?
C2D C3D C4D 120.5(6) . . ?
C5D C4D C3D 118.5(6) . . ?
N1D C5D C4D 122.6(6) . . ?
N1D C5D C6D 115.8(5) . . ?
C4D C5D C6D 121.6(6) . . ?
O1D Si1D N2D 111.2(2) . . ?
O1D Si1D C8D 112.7(2) . . ?
N2D Si1D C8D 106.0(3) . . ?
O1D Si1D C7D 115.4(2) . . ?
N2D Si1D C7D 102.6(3) . . ?
C8D Si1D C7D 108.1(3) . . ?
O1D Si1D Li4 39.7(2) . . ?
N2D Si1D Li4 82.2(2) . . ?
C8D Si1D Li4 97.1(3) . . ?
C7D Si1D Li4 151.6(3) . . ?
Si1D O1D Li1 138.5(3) . . ?
Si1D O1D Li3 139.9(3) . . ?
Li1 O1D Li3 80.4(4) . . ?
Si1D O1D Li4 110.2(3) . . ?
Li1 O1D Li4 79.7(4) . . ?
Li3 O1D Li4 80.8(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Li1 O1B 1.918(10) . ?
Li1 O1A 1.968(9) . ?
Li1 O1D 1.977(9) . ?
Li1 N1A 2.071(10) . ?
Li1 Li2 2.526(12) . ?
Li1 Li3 2.549(12) . ?
Li1 Li4 2.555(12) . ?
Li1 Si1A 2.916(9) . ?
Li2 O1C 1.938(9) . ?
Li2 O1A 1.952(9) . ?
Li2 O1B 1.961(9) . ?
Li2 N1B 2.146(9) . ?
Li2 Li3 2.521(11) . ?
Li2 Li4 2.543(12) . ?
Li2 Si1B 2.918(9) . ?
Li3 O1B 1.917(9) . ?
Li3 O1D 1.971(9) . ?
Li3 O1C 1.988(9) . ?
Li3 N1C 2.098(10) . ?
Li3 Li4 2.580(12) . ?
Li3 Si1C 2.938(9) . ?
Li4 O1C 1.911(9) . ?
Li4 O1A 1.912(9) . ?
Li4 O1D 2.009(8) . ?
Li4 N1D 2.087(9) . ?
Li4 Si1D 2.948(8) . ?
N1A C1A 1.345(6) . ?
N1A C5A 1.355(7) . ?
N2A C1A 1.366(7) . ?
N2A Si1A 1.743(5) . ?
C1A C2A 1.408(8) . ?
C2A C3A 1.356(9) . ?
C3A C4A 1.371(9) . ?
C4A C5A 1.376(8) . ?
C5A C6A 1.490(8) . ?
Si1A O1A 1.580(4) . ?
Si1A C7A 1.837(7) . ?
Si1A C8A 1.848(6) . ?
N1B C5B 1.340(6) . ?
N1B C1B 1.351(7) . ?
N2B C1B 1.366(7) . ?
N2B Si1B 1.736(6) . ?
C1B C2B 1.400(8) . ?
C2B C3B 1.360(8) . ?
C3B C4B 1.385(9) . ?
C4B C5B 1.366(8) . ?
C5B C6B 1.526(8) . ?
Si1B O1B 1.577(3) . ?
Si1B C8B 1.843(7) . ?
Si1B C7B 1.851(6) . ?
N1C C1C 1.339(7) . ?
N1C C5C 1.358(7) . ?
N2C C1C 1.362(7) . ?
N2C Si1C 1.753(5) . ?
C1C C2C 1.406(8) . ?
C2C C3C 1.376(10) . ?
C3C C4C 1.357(10) . ?
C4C C5C 1.378(9) . ?
C5C C6C 1.491(8) . ?
Si1C O1C 1.573(3) . ?
Si1C C8C 1.838(6) . ?
Si1C C7C 1.843(6) . ?
N1D C1D 1.341(6) . ?
N1D C5D 1.353(6) . ?
N2D C1D 1.375(7) . ?
N2D Si1D 1.749(5) . ?
C1D C2D 1.407(7) . ?
C2D C3D 1.364(8) . ?
C3D C4D 1.382(8) . ?
C4D C5D 1.377(8) . ?
C5D C6D 1.490(8) . ?
Si1D O1D 1.573(3) . ?
Si1D C8D 1.854(6) . ?
Si1D C7D 1.862(6) . ?
