# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2009

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Eva Hevia'
_publ_contact_author_email       EVA.HEVIA@STRATH.AC.UK

_publ_section_title              
;
Direct Lateral Metallation using Alkali-Metal Mediated
Zincation (AMMZn): SiC-H vs Si-O Bond Cleavage
;
loop_
_publ_author_name
'Eva Hevia'
'Alan R. Kennedy'
'Jan Klett'
'Matthew D McCall'

# Attachment 'cif_file.CIF'

data_eva13
_database_code_depnum_ccdc_archive 'CCDC 721173'

#-----------------------------------------------
#--------------COMPOUND 3-----------------------
#-----------------------------------------------

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H48 Li N O2 Si Zn'
_chemical_formula_weight         507.05

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Zn Zn 0.2839 1.4301 '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'
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.2813(5)
_cell_length_b                   11.3700(6)
_cell_length_c                   13.0987(6)
_cell_angle_alpha                79.264(4)
_cell_angle_beta                 79.106(4)
_cell_angle_gamma                61.575(5)
_cell_volume                     1441.91(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    10346
_cell_measurement_theta_min      2.73
_cell_measurement_theta_max      30.56

_exptl_crystal_description       lump
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.168
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             548
_exptl_absorpt_coefficient_mu    0.913
_exptl_absorpt_correction_T_min  0.93421
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.24 (release 21-04-2008 CrysAlis171 .NET)
(compiled Apr 21 2008,18:23:10)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Oxford Diffraction Gemini S'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20418
_diffrn_reflns_av_R_equivalents  0.0326
_diffrn_reflns_av_sigmaI/netI    0.0484
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.73
_diffrn_reflns_theta_max         30.61
_reflns_number_total             7908
_reflns_number_gt                6081
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
After several trial calculations, occupancy factors for the disordered
atoms were set as below.

Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0376P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7908
_refine_ls_number_parameters     324
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0472
_refine_ls_R_factor_gt           0.0314
_refine_ls_wR_factor_ref         0.0725
_refine_ls_wR_factor_gt          0.0695
_refine_ls_goodness_of_fit_ref   0.967
_refine_ls_restrained_S_all      0.967
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Zn1 Zn 0.150396(16) 0.088194(15) 0.679104(12) 0.01826(5) Uani 1 1 d . A .
Li1 Li 0.0220(2) 0.3368(2) 0.7524(2) 0.0236(5) Uani 1 1 d . A .
Si1 Si -0.19026(4) 0.27528(4) 0.71874(3) 0.01903(9) Uani 1 1 d . A .
O1 O -0.15555(9) 0.34218(9) 0.80833(7) 0.0206(2) Uani 1 1 d . A .
O2 O -0.03657(11) 0.52869(10) 0.72678(8) 0.0257(2) Uani 1 1 d . . .
N1 N 0.20769(11) 0.18253(11) 0.76256(9) 0.0182(2) Uani 1 1 d . . .
C1 C 0.22019(15) 0.12496(14) 0.87398(11) 0.0228(3) Uani 1 1 d . A .
C2 C 0.36495(16) 0.01603(16) 0.89215(13) 0.0330(4) Uani 1 1 d . . .
H2A H 0.3705 -0.0077 0.9684 0.040 Uiso 1 1 calc R A .
H2B H 0.3837 -0.0658 0.8623 0.040 Uiso 1 1 calc R . .
C3 C 0.47233(16) 0.05973(18) 0.84381(13) 0.0380(4) Uani 1 1 d . A .
H3A H 0.5636 -0.0148 0.8550 0.046 Uiso 1 1 calc R . .
H3B H 0.4592 0.1373 0.8768 0.046 Uiso 1 1 calc R . .
C4 C 0.46049(15) 0.09908(17) 0.72732(13) 0.0334(4) Uani 1 1 d . . .
H4A H 0.4791 0.0193 0.6946 0.040 Uiso 1 1 calc R A .
H4B H 0.5298 0.1289 0.6949 0.040 Uiso 1 1 calc R . .
C5 C 0.31963(14) 0.21201(16) 0.70554(11) 0.0245(3) Uani 1 1 d . A .
C6 C 0.12619(16) 0.05812(15) 0.90562(12) 0.0278(3) Uani 1 1 d . . .
H6A H 0.0334 0.1242 0.8925 0.042 Uiso 1 1 calc R A .
H6B H 0.1276 0.0246 0.9802 0.042 Uiso 1 1 calc R . .
H6C H 0.1575 -0.0171 0.8644 0.042 Uiso 1 1 calc R . .
C7 C 0.17299(17) 0.23339(16) 0.94876(12) 0.0307(4) Uani 1 1 d . . .
H7A H 0.2342 0.2747 0.9346 0.046 Uiso 1 1 calc R A .
H7B H 0.1742 0.1916 1.0213 0.046 Uiso 1 1 calc R . .
H7C H 0.0806 0.3026 0.9378 0.046 Uiso 1 1 calc R . .
C8 C 0.31026(17) 0.22662(18) 0.58843(12) 0.0331(4) Uani 1 1 d . . .
H8A H 0.3258 0.1409 0.5689 0.050 Uiso 1 1 calc R A .
H8B H 0.3791 0.2518 0.5486 0.050 Uiso 1 1 calc R . .
H8C H 0.2199 0.2966 0.5728 0.050 Uiso 1 1 calc R . .
C9 C 0.30707(17) 0.34580(16) 0.72807(14) 0.0346(4) Uani 1 1 d . . .
H9A H 0.2188 0.4192 0.7113 0.052 Uiso 1 1 calc R A .
H9B H 0.3796 0.3628 0.6851 0.052 Uiso 1 1 calc R . .
H9C H 0.3148 0.3406 0.8022 0.052 Uiso 1 1 calc R . .
C10 C 0.23854(15) -0.10187(14) 0.63887(12) 0.0250(3) Uani 1 1 d . . .
C11 C 0.2574(2) -0.09440(17) 0.51978(13) 0.0424(5) Uani 1 1 d . A .
H11A H 0.3209 -0.0574 0.4907 0.064 Uiso 1 1 calc R . .
H11B H 0.1697 -0.0362 0.4931 0.064 Uiso 1 1 calc R . .
H11C H 0.2936 -0.1849 0.4991 0.064 Uiso 1 1 calc R . .
C12 C 0.14106(19) -0.16264(16) 0.68043(15) 0.0392(4) Uani 1 1 d . A .
H12A H 0.0535 -0.1045 0.6534 0.059 Uiso 1 1 calc R . .
H12B H 0.1280 -0.1702 0.7571 0.059 Uiso 1 1 calc R . .
H12C H 0.1792 -0.2522 0.6574 0.059 Uiso 1 1 calc R . .
C13 C 0.37497(17) -0.19692(16) 0.67847(15) 0.0393(4) Uani 1 1 d . A .
H13A H 0.4097 -0.2851 0.6540 0.059 Uiso 1 1 calc R . .
H13B H 0.3638 -0.2066 0.7551 0.059 Uiso 1 1 calc R . .
H13C H 0.4393 -0.1603 0.6518 0.059 Uiso 1 1 calc R . .
C14 C -0.03553(14) 0.22613(16) 0.62811(11) 0.0204(3) Uani 1 1 d . . .
C15 C -0.21765(16) 0.13078(15) 0.78795(13) 0.0305(4) Uani 1 1 d . . .
H15A H -0.1346 0.0624 0.8171 0.046 Uiso 1 1 calc R A .
H15B H -0.2408 0.0919 0.7386 0.046 Uiso 1 1 calc R . .
H15C H -0.2921 0.1616 0.8446 0.046 Uiso 1 1 calc R . .
C16 C -0.35047(15) 0.40511(16) 0.66603(12) 0.0293(4) Uani 1 1 d . . .
H16A H -0.4231 0.4359 0.7239 0.044 Uiso 1 1 calc R A .
H16B H -0.3756 0.3662 0.6181 0.044 Uiso 1 1 calc R . .
H16C H -0.3369 0.4816 0.6283 0.044 Uiso 1 1 calc R . .
C17 C -0.24368(14) 0.41796(14) 0.88717(11) 0.0198(3) Uani 1 1 d . . .
C18 C -0.33746(15) 0.55037(14) 0.86309(12) 0.0256(3) Uani 1 1 d . A .
H18 H -0.3455 0.5885 0.7922 0.031 Uiso 1 1 calc R . .
C19 C -0.41985(16) 0.62707(15) 0.94357(13) 0.0303(4) Uani 1 1 d . . .
H19 H -0.4847 0.7178 0.9274 0.036 Uiso 1 1 calc R A .
C20 C -0.40820(15) 0.57270(16) 1.04612(13) 0.0294(4) Uani 1 1 d . A .
H20 H -0.4649 0.6254 1.1008 0.035 Uiso 1 1 calc R . .
C21 C -0.31358(17) 0.44082(16) 1.06949(12) 0.0305(4) Uani 1 1 d . . .
H21 H -0.3047 0.4032 1.1404 0.037 Uiso 1 1 calc R A .
C22 C -0.23149(15) 0.36310(15) 0.98985(12) 0.0261(3) Uani 1 1 d . A .
H22 H -0.1671 0.2723 1.0062 0.031 Uiso 1 1 calc R . .
C23A C -0.1034(5) 0.6106(6) 0.6335(5) 0.0331(11) Uani 0.50 1 d P A 1
H23A H -0.0398 0.5832 0.5690 0.040 Uiso 0.50 1 calc PR A 1
H23B H -0.1837 0.5986 0.6293 0.040 Uiso 0.50 1 calc PR A 1
C24A C -0.1430(16) 0.7458(15) 0.6443(11) 0.037(2) Uani 0.50 1 d P A 1
H24A H -0.2301 0.8061 0.6156 0.045 Uiso 0.50 1 calc PR A 1
H24B H -0.0732 0.7727 0.6068 0.045 Uiso 0.50 1 calc PR A 1
C23B C -0.0457(5) 0.6060(6) 0.6298(5) 0.0342(12) Uani 0.50 1 d P A 2
H23C H -0.0668 0.5682 0.5774 0.041 Uiso 0.50 1 calc PR A 2
H23D H 0.0394 0.6125 0.6037 0.041 Uiso 0.50 1 calc PR A 2
C24B C -0.1709(16) 0.7522(15) 0.6563(12) 0.046(3) Uani 0.50 1 d P A 2
H24C H -0.1597 0.8267 0.6103 0.055 Uiso 0.50 1 calc PR A 2
H24D H -0.2594 0.7581 0.6492 0.055 Uiso 0.50 1 calc PR A 2
C25 C -0.15841(18) 0.75356(15) 0.76481(13) 0.0337(4) Uani 1 1 d . . .
H25A H -0.1391 0.8249 0.7790 0.040 Uiso 1 1 calc R A 1
H25B H -0.2503 0.7695 0.7984 0.040 Uiso 1 1 calc R A 1
C26 C -0.05217(19) 0.61543(15) 0.80072(13) 0.0333(4) Uani 1 1 d . A .
H26A H 0.0347 0.6167 0.8018 0.040 Uiso 1 1 calc R . .
H26B H -0.0817 0.5841 0.8719 0.040 Uiso 1 1 calc R . .
H14A H -0.0459(17) 0.1805(16) 0.5818(13) 0.030(4) Uiso 1 1 d . . .
H14B H -0.0272(18) 0.2978(18) 0.5934(13) 0.036(5) Uiso 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Zn1 0.01829(8) 0.01691(9) 0.01910(9) -0.00480(6) -0.00191(6) -0.00677(6)
Li1 0.0229(12) 0.0208(12) 0.0273(13) -0.0035(10) -0.0023(10) -0.0100(10)
Si1 0.01690(18) 0.0193(2) 0.0220(2) -0.00415(16) -0.00273(15) -0.00827(15)
O1 0.0188(5) 0.0220(5) 0.0212(5) -0.0069(4) 0.0003(4) -0.0087(4)
O2 0.0355(6) 0.0185(5) 0.0242(5) -0.0018(4) -0.0040(4) -0.0131(5)
N1 0.0178(5) 0.0210(6) 0.0173(6) -0.0026(5) -0.0035(4) -0.0093(5)
C1 0.0232(7) 0.0242(7) 0.0187(7) -0.0040(6) -0.0055(6) -0.0073(6)
C2 0.0323(8) 0.0312(9) 0.0281(8) -0.0024(7) -0.0144(7) -0.0050(7)
C3 0.0215(8) 0.0446(10) 0.0422(10) -0.0110(8) -0.0138(7) -0.0046(7)
C4 0.0193(7) 0.0463(10) 0.0351(9) -0.0144(8) -0.0014(6) -0.0124(7)
C5 0.0201(7) 0.0341(8) 0.0242(8) -0.0068(7) -0.0022(6) -0.0153(6)
C6 0.0344(8) 0.0268(8) 0.0200(8) 0.0015(6) -0.0042(6) -0.0134(7)
C7 0.0369(9) 0.0333(9) 0.0222(8) -0.0092(7) -0.0018(6) -0.0147(7)
C8 0.0322(8) 0.0510(11) 0.0251(8) -0.0047(8) 0.0010(7) -0.0275(8)
C9 0.0298(8) 0.0383(9) 0.0454(10) -0.0081(8) -0.0025(7) -0.0227(8)
C10 0.0277(7) 0.0177(7) 0.0277(8) -0.0063(6) -0.0034(6) -0.0075(6)
C11 0.0612(12) 0.0267(9) 0.0338(9) -0.0135(8) -0.0037(8) -0.0126(8)
C12 0.0423(10) 0.0240(8) 0.0544(11) -0.0084(8) -0.0061(9) -0.0159(8)
C13 0.0339(9) 0.0238(8) 0.0536(11) -0.0106(8) -0.0105(8) -0.0037(7)
C14 0.0216(7) 0.0209(7) 0.0198(7) -0.0041(6) -0.0032(6) -0.0097(6)
C15 0.0308(8) 0.0279(8) 0.0375(9) -0.0033(7) -0.0021(7) -0.0180(7)
C16 0.0212(7) 0.0302(8) 0.0341(9) -0.0083(7) -0.0069(6) -0.0069(6)
C17 0.0187(6) 0.0207(7) 0.0236(7) -0.0079(6) 0.0018(5) -0.0115(6)
C18 0.0281(8) 0.0225(8) 0.0250(8) -0.0028(6) -0.0024(6) -0.0108(6)
C19 0.0286(8) 0.0202(7) 0.0399(10) -0.0099(7) -0.0026(7) -0.0075(6)
C20 0.0241(7) 0.0339(9) 0.0352(9) -0.0189(7) 0.0043(6) -0.0147(7)
C21 0.0351(9) 0.0353(9) 0.0224(8) -0.0059(7) 0.0005(6) -0.0175(7)
C22 0.0259(7) 0.0234(8) 0.0260(8) -0.0028(6) -0.0014(6) -0.0094(6)
C23A 0.046(3) 0.028(2) 0.0196(19) 0.0009(15) -0.009(3) -0.012(3)
C24A 0.054(6) 0.032(4) 0.018(3) -0.005(2) -0.006(3) -0.012(4)
C23B 0.042(3) 0.028(2) 0.027(2) -0.0063(16) -0.006(3) -0.010(3)
C24B 0.057(6) 0.016(3) 0.042(6) -0.001(3) -0.007(4) 0.000(3)
C25 0.0475(10) 0.0216(8) 0.0319(9) -0.0045(7) -0.0011(8) -0.0164(7)
C26 0.0477(10) 0.0275(8) 0.0300(9) -0.0067(7) -0.0080(7) -0.0189(8)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Zn1 C10 2.0291(14) . ?
Zn1 N1 2.0315(12) . ?
Zn1 C14 2.0767(15) . ?
Zn1 Li1 2.756(2) . ?
Zn1 Si1 3.3820(5) . ?
Li1 O2 1.936(3) . ?
Li1 O1 1.974(3) . ?
Li1 N1 2.001(3) . ?
Li1 C14 2.568(3) . ?
Li1 Si1 2.920(3) . ?
Si1 O1 1.7026(10) . ?
Si1 C14 1.8176(15) . ?
Si1 C15 1.8545(16) . ?
Si1 C16 1.8639(15) . ?
O1 C17 1.3875(15) . ?
O1 N1 3.5835(14) . ?
O2 C23B 1.394(7) . ?
O2 C26 1.4380(17) . ?
O2 C23A 1.478(6) . ?
N1 C1 1.4874(18) . ?
N1 C5 1.4895(18) . ?
C1 C6 1.535(2) . ?
C1 C2 1.539(2) . ?
C1 C7 1.5462(19) . ?
C2 C3 1.510(3) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.521(2) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.532(2) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C8 1.530(2) . ?
C5 C9 1.539(2) . ?
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 . ?
C10 C13 1.522(2) . ?
C10 C11 1.526(2) . ?
C10 C12 1.530(2) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.923(17) . ?
C14 H14B 0.893(18) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C22 1.376(2) . ?
C17 C18 1.3849(19) . ?
C18 C19 1.392(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.373(2) . ?
C19 H19 0.9500 . ?
C20 C21 1.382(2) . ?
C20 H20 0.9500 . ?
C21 C22 1.388(2) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23A C24A 1.410(16) . ?
C23A H23A 0.9900 . ?
C23A H23B 0.9900 . ?
C24A C25 1.569(14) . ?
C24A H24A 0.9900 . ?
C24A H24B 0.9900 . ?
C23B C24B 1.634(16) . ?
C23B H23C 0.9900 . ?
C23B H23D 0.9900 . ?
C24B C25 1.459(16) . ?
C24B H24C 0.9900 . ?
C24B H24D 0.9900 . ?
C25 C26 1.507(2) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?

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
C10 Zn1 N1 133.03(6) . . ?
C10 Zn1 C14 118.72(6) . . ?
N1 Zn1 C14 108.25(5) . . ?
C10 Zn1 Li1 174.41(7) . . ?
N1 Zn1 Li1 46.42(6) . . ?
C14 Zn1 Li1 62.33(7) . . ?
C10 Zn1 Si1 122.32(5) . . ?
N1 Zn1 Si1 99.52(3) . . ?
C14 Zn1 Si1 27.61(4) . . ?
Li1 Zn1 Si1 55.68(5) . . ?
O2 Li1 O1 98.42(11) . . ?
O2 Li1 N1 130.45(15) . . ?
O1 Li1 N1 128.72(14) . . ?
O2 Li1 C14 118.70(12) . . ?
O1 Li1 C14 72.24(9) . . ?
N1 Li1 C14 92.71(10) . . ?
O2 Li1 Zn1 149.42(12) . . ?
O1 Li1 Zn1 99.24(10) . . ?
N1 Li1 Zn1 47.35(6) . . ?
C14 Li1 Zn1 45.75(5) . . ?
O2 Li1 Si1 110.64(11) . . ?
O1 Li1 Si1 34.30(5) . . ?
N1 Li1 Si1 117.03(11) . . ?
C14 Li1 Si1 38.01(5) . . ?
Zn1 Li1 Si1 73.09(6) . . ?
O1 Si1 C14 101.14(6) . . ?
O1 Si1 C15 107.64(7) . . ?
C14 Si1 C15 113.48(7) . . ?
O1 Si1 C16 108.39(6) . . ?
C14 Si1 C16 116.84(7) . . ?
C15 Si1 C16 108.65(8) . . ?
O1 Si1 Li1 40.80(6) . . ?
C14 Si1 Li1 60.45(7) . . ?
C15 Si1 Li1 124.89(8) . . ?
C16 Si1 Li1 122.82(7) . . ?
O1 Si1 Zn1 84.54(3) . . ?
C14 Si1 Zn1 31.98(5) . . ?
C15 Si1 Zn1 93.36(5) . . ?
C16 Si1 Zn1 148.77(5) . . ?
Li1 Si1 Zn1 51.23(5) . . ?
C17 O1 Si1 128.46(9) . . ?
C17 O1 Li1 124.49(11) . . ?
Si1 O1 Li1 104.90(9) . . ?
C17 O1 N1 130.82(8) . . ?
Si1 O1 N1 99.89(4) . . ?
Li1 O1 N1 25.83(8) . . ?
C23B O2 C26 105.0(3) . . ?
C23B O2 C23A 24.7(2) . . ?
C26 O2 C23A 109.8(3) . . ?
C23B O2 Li1 126.9(3) . . ?
C26 O2 Li1 126.93(12) . . ?
C23A O2 Li1 121.8(3) . . ?
C1 N1 C5 116.59(11) . . ?
C1 N1 Li1 108.73(11) . . ?
C5 N1 Li1 114.31(12) . . ?
C1 N1 Zn1 113.83(9) . . ?
C5 N1 Zn1 113.28(8) . . ?
Li1 N1 Zn1 86.23(9) . . ?
C1 N1 O1 92.00(7) . . ?
C5 N1 O1 139.70(8) . . ?
Li1 N1 O1 25.45(8) . . ?
Zn1 N1 O1 75.17(4) . . ?
N1 C1 C6 107.67(12) . . ?
N1 C1 C2 112.81(11) . . ?
C6 C1 C2 107.39(12) . . ?
N1 C1 C7 112.80(12) . . ?
C6 C1 C7 106.58(12) . . ?
C2 C1 C7 109.24(13) . . ?
C3 C2 C1 113.08(13) . . ?
C3 C2 H2A 109.0 . . ?
C1 C2 H2A 109.0 . . ?
C3 C2 H2B 109.0 . . ?
C1 C2 H2B 109.0 . . ?
H2A C2 H2B 107.8 . . ?
C2 C3 C4 108.42(14) . . ?
C2 C3 H3A 110.0 . . ?
C4 C3 H3A 110.0 . . ?
C2 C3 H3B 110.0 . . ?
C4 C3 H3B 110.0 . . ?
H3A C3 H3B 108.4 . . ?
C3 C4 C5 112.16(12) . . ?
C3 C4 H4A 109.2 . . ?
C5 C4 H4A 109.2 . . ?
C3 C4 H4B 109.2 . . ?
C5 C4 H4B 109.2 . . ?
H4A C4 H4B 107.9 . . ?
N1 C5 C8 107.37(12) . . ?
N1 C5 C4 112.82(13) . . ?
C8 C5 C4 107.87(12) . . ?
N1 C5 C9 113.11(12) . . ?
C8 C5 C9 106.36(14) . . ?
C4 C5 C9 108.96(13) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C1 C7 H7A 109.5 . . ?
C1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C5 C9 H9A 109.5 . . ?
C5 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C5 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C13 C10 C11 108.37(13) . . ?
C13 C10 C12 108.27(13) . . ?
C11 C10 C12 107.47(15) . . ?
C13 C10 Zn1 115.71(11) . . ?
C11 C10 Zn1 108.39(10) . . ?
C12 C10 Zn1 108.35(10) . . ?
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 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si1 C14 Zn1 120.41(8) . . ?
Si1 C14 Li1 81.54(7) . . ?
Zn1 C14 Li1 71.92(7) . . ?
Si1 C14 H14A 104.1(10) . . ?
Zn1 C14 H14A 102.3(10) . . ?
Li1 C14 H14A 173.6(11) . . ?
Si1 C14 H14B 111.6(11) . . ?
Zn1 C14 H14B 108.1(12) . . ?
Li1 C14 H14B 70.5(12) . . ?
H14A C14 H14B 109.4(15) . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1 C16 H16A 109.5 . . ?
Si1 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si1 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C22 C17 C18 120.23(13) . . ?
C22 C17 O1 119.37(12) . . ?
C18 C17 O1 120.27(13) . . ?
C17 C18 C19 119.45(14) . . ?
C17 C18 H18 120.3 . . ?
C19 C18 H18 120.3 . . ?
C20 C19 C18 120.52(14) . . ?
C20 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
C19 C20 C21 119.66(13) . . ?
C19 C20 H20 120.2 . . ?
C21 C20 H20 120.2 . . ?
C20 C21 C22 120.32(15) . . ?
C20 C21 H21 119.8 . . ?
C22 C21 H21 119.8 . . ?
C17 C22 C21 119.81(14) . . ?
C17 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C24A C23A O2 106.8(7) . . ?
C24A C23A H23A 110.4 . . ?
O2 C23A H23A 110.4 . . ?
C24A C23A H23B 110.4 . . ?
O2 C23A H23B 110.4 . . ?
H23A C23A H23B 108.6 . . ?
C23A C24A C25 106.0(9) . . ?
C23A C24A H24A 110.5 . . ?
C25 C24A H24A 110.5 . . ?
C23A C24A H24B 110.5 . . ?
C25 C24A H24B 110.5 . . ?
H24A C24A H24B 108.7 . . ?
O2 C23B C24B 102.4(6) . . ?
O2 C23B H23C 111.3 . . ?
C24B C23B H23C 111.3 . . ?
O2 C23B H23D 111.3 . . ?
C24B C23B H23D 111.3 . . ?
H23C C23B H23D 109.2 . . ?
C25 C24B C23B 101.9(9) . . ?
C25 C24B H24C 111.4 . . ?
C23B C24B H24C 111.4 . . ?
C25 C24B H24D 111.4 . . ?
C23B C24B H24D 111.4 . . ?
H24C C24B H24D 109.3 . . ?
C24B C25 C26 106.8(6) . . ?
C24B C25 C24A 10.8(12) . . ?
C26 C25 C24A 101.3(6) . . ?
C24B C25 H25A 116.4 . . ?
C26 C25 H25A 111.5 . . ?
C24A C25 H25A 111.5 . . ?
C24B C25 H25B 100.8 . . ?
C26 C25 H25B 111.5 . . ?
C24A C25 H25B 111.5 . . ?
H25A C25 H25B 109.3 . . ?
O2 C26 C25 106.17(13) . . ?
O2 C26 H26A 110.5 . . ?
C25 C26 H26A 110.5 . . ?
O2 C26 H26B 110.5 . . ?
C25 C26 H26B 110.5 . . ?
H26A C26 H26B 108.7 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C10 Zn1 Li1 O2 -172.9(6) . . . . ?
N1 Zn1 Li1 O2 100.1(3) . . . . ?
C14 Zn1 Li1 O2 -70.7(2) . . . . ?
Si1 Zn1 Li1 O2 -102.1(3) . . . . ?
C10 Zn1 Li1 O1 -48.4(8) . . . . ?
N1 Zn1 Li1 O1 -135.38(14) . . . . ?
C14 Zn1 Li1 O1 53.85(9) . . . . ?
Si1 Zn1 Li1 O1 22.44(6) . . . . ?
C10 Zn1 Li1 N1 87.0(7) . . . . ?
C14 Zn1 Li1 N1 -170.77(10) . . . . ?
Si1 Zn1 Li1 N1 157.82(10) . . . . ?
C10 Zn1 Li1 C14 -102.2(7) . . . . ?
N1 Zn1 Li1 C14 170.77(10) . . . . ?
Si1 Zn1 Li1 C14 -31.41(5) . . . . ?
C10 Zn1 Li1 Si1 -70.8(7) . . . . ?
N1 Zn1 Li1 Si1 -157.82(10) . . . . ?
C14 Zn1 Li1 Si1 31.41(5) . . . . ?
O2 Li1 Si1 O1 -74.06(11) . . . . ?
N1 Li1 Si1 O1 119.88(16) . . . . ?
C14 Li1 Si1 O1 175.36(12) . . . . ?
Zn1 Li1 Si1 O1 138.04(11) . . . . ?
O2 Li1 Si1 C14 110.58(13) . . . . ?
O1 Li1 Si1 C14 -175.36(12) . . . . ?
N1 Li1 Si1 C14 -55.48(11) . . . . ?
Zn1 Li1 Si1 C14 -37.31(6) . . . . ?
O2 Li1 Si1 C15 -150.03(10) . . . . ?
O1 Li1 Si1 C15 -75.97(10) . . . . ?
N1 Li1 Si1 C15 43.91(15) . . . . ?
C14 Li1 Si1 C15 99.39(9) . . . . ?
Zn1 Li1 Si1 C15 62.07(9) . . . . ?
O2 Li1 Si1 C16 5.99(14) . . . . ?
O1 Li1 Si1 C16 80.05(10) . . . . ?
N1 Li1 Si1 C16 -160.07(11) . . . . ?
C14 Li1 Si1 C16 -104.59(9) . . . . ?
Zn1 Li1 Si1 C16 -141.91(7) . . . . ?
O2 Li1 Si1 Zn1 147.89(14) . . . . ?
O1 Li1 Si1 Zn1 -138.04(11) . . . . ?
N1 Li1 Si1 Zn1 -18.16(8) . . . . ?
C14 Li1 Si1 Zn1 37.31(6) . . . . ?
C10 Zn1 Si1 O1 147.72(6) . . . . ?
N1 Zn1 Si1 O1 -9.93(5) . . . . ?
C14 Zn1 Si1 O1 -121.30(11) . . . . ?
Li1 Zn1 Si1 O1 -26.03(7) . . . . ?
C10 Zn1 Si1 C14 -90.98(11) . . . . ?
N1 Zn1 Si1 C14 111.37(10) . . . . ?
Li1 Zn1 Si1 C14 95.27(12) . . . . ?
C10 Zn1 Si1 C15 40.30(7) . . . . ?
N1 Zn1 Si1 C15 -117.35(6) . . . . ?
C14 Zn1 Si1 C15 131.28(11) . . . . ?
Li1 Zn1 Si1 C15 -133.45(8) . . . . ?
C10 Zn1 Si1 C16 -95.31(12) . . . . ?
N1 Zn1 Si1 C16 107.05(11) . . . . ?
C14 Zn1 Si1 C16 -4.33(14) . . . . ?
Li1 Zn1 Si1 C16 90.94(12) . . . . ?
C10 Zn1 Si1 Li1 173.75(8) . . . . ?
N1 Zn1 Si1 Li1 16.10(7) . . . . ?
C14 Zn1 Si1 Li1 -95.27(12) . . . . ?
C14 Si1 O1 C17 167.77(12) . . . . ?
C15 Si1 O1 C17 -72.97(12) . . . . ?
C16 Si1 O1 C17 44.37(13) . . . . ?
Li1 Si1 O1 C17 163.65(16) . . . . ?
Zn1 Si1 O1 C17 -164.77(11) . . . . ?
C14 Si1 O1 Li1 4.11(10) . . . . ?
C15 Si1 O1 Li1 123.38(10) . . . . ?
C16 Si1 O1 Li1 -119.28(10) . . . . ?
Zn1 Si1 O1 Li1 31.58(8) . . . . ?
C14 Si1 O1 N1 -21.85(6) . . . . ?
C15 Si1 O1 N1 97.41(6) . . . . ?
C16 Si1 O1 N1 -145.24(6) . . . . ?
Li1 Si1 O1 N1 -25.96(8) . . . . ?
Zn1 Si1 O1 N1 5.62(3) . . . . ?
O2 Li1 O1 C17 -49.95(17) . . . . ?
N1 Li1 O1 C17 113.65(17) . . . . ?
C14 Li1 O1 C17 -167.49(11) . . . . ?
Zn1 Li1 O1 C17 155.11(10) . . . . ?
Si1 Li1 O1 C17 -164.49(15) . . . . ?
O2 Li1 O1 Si1 114.55(9) . . . . ?
N1 Li1 O1 Si1 -81.86(17) . . . . ?
C14 Li1 O1 Si1 -3.00(7) . . . . ?
Zn1 Li1 O1 Si1 -40.39(10) . . . . ?
O2 Li1 O1 N1 -163.6(2) . . . . ?
C14 Li1 O1 N1 78.86(16) . . . . ?
Zn1 Li1 O1 N1 41.46(12) . . . . ?
Si1 Li1 O1 N1 81.86(17) . . . . ?
O1 Li1 O2 C23B -108.7(3) . . . . ?
N1 Li1 O2 C23B 88.2(3) . . . . ?
C14 Li1 O2 C23B -34.4(3) . . . . ?
Zn1 Li1 O2 C23B 16.0(4) . . . . ?
Si1 Li1 O2 C23B -75.5(3) . . . . ?
O1 Li1 O2 C26 85.36(17) . . . . ?
N1 Li1 O2 C26 -77.8(2) . . . . ?
C14 Li1 O2 C26 159.67(13) . . . . ?
Zn1 Li1 O2 C26 -149.9(2) . . . . ?
Si1 Li1 O2 C26 118.58(14) . . . . ?
O1 Li1 O2 C23A -79.2(3) . . . . ?
N1 Li1 O2 C23A 117.6(3) . . . . ?
C14 Li1 O2 C23A -4.9(3) . . . . ?
Zn1 Li1 O2 C23A 45.5(4) . . . . ?
Si1 Li1 O2 C23A -46.0(3) . . . . ?
O2 Li1 N1 C1 107.25(18) . . . . ?
O1 Li1 N1 C1 -51.2(2) . . . . ?
C14 Li1 N1 C1 -120.51(11) . . . . ?
Zn1 Li1 N1 C1 -113.91(10) . . . . ?
Si1 Li1 N1 C1 -89.99(13) . . . . ?
O2 Li1 N1 C5 -25.0(2) . . . . ?
O1 Li1 N1 C5 176.59(14) . . . . ?
C14 Li1 N1 C5 107.28(11) . . . . ?
Zn1 Li1 N1 C5 113.88(10) . . . . ?
Si1 Li1 N1 C5 137.81(11) . . . . ?
O2 Li1 N1 Zn1 -138.84(17) . . . . ?
O1 Li1 N1 Zn1 62.70(16) . . . . ?
C14 Li1 N1 Zn1 -6.60(7) . . . . ?
Si1 Li1 N1 Zn1 23.92(10) . . . . ?
O2 Li1 N1 O1 158.5(3) . . . . ?
C14 Li1 N1 O1 -69.30(15) . . . . ?
Zn1 Li1 N1 O1 -62.70(16) . . . . ?
Si1 Li1 N1 O1 -38.78(11) . . . . ?
C10 Zn1 N1 C1 -63.52(11) . . . . ?
C14 Zn1 N1 C1 117.43(9) . . . . ?
Li1 Zn1 N1 C1 108.83(12) . . . . ?
Si1 Zn1 N1 C1 90.40(8) . . . . ?
C10 Zn1 N1 C5 72.77(12) . . . . ?
C14 Zn1 N1 C5 -106.28(10) . . . . ?
Li1 Zn1 N1 C5 -114.88(13) . . . . ?
Si1 Zn1 N1 C5 -133.31(9) . . . . ?
C10 Zn1 N1 Li1 -172.35(9) . . . . ?
C14 Zn1 N1 Li1 8.60(9) . . . . ?
Si1 Zn1 N1 Li1 -18.43(8) . . . . ?
C10 Zn1 N1 O1 -149.08(7) . . . . ?
C14 Zn1 N1 O1 31.87(5) . . . . ?
Li1 Zn1 N1 O1 23.27(8) . . . . ?
Si1 Zn1 N1 O1 4.84(2) . . . . ?
C17 O1 N1 C1 46.25(13) . . . . ?
Si1 O1 N1 C1 -123.80(8) . . . . ?
Li1 O1 N1 C1 132.39(19) . . . . ?
C17 O1 N1 C5 -90.96(16) . . . . ?
Si1 O1 N1 C5 99.00(13) . . . . ?
Li1 O1 N1 C5 -4.8(2) . . . . ?
C17 O1 N1 Li1 -86.1(2) . . . . ?
Si1 O1 N1 Li1 103.81(18) . . . . ?
C17 O1 N1 Zn1 160.39(11) . . . . ?
Si1 O1 N1 Zn1 -9.66(5) . . . . ?
Li1 O1 N1 Zn1 -113.47(18) . . . . ?
C5 N1 C1 C6 -160.66(11) . . . . ?
Li1 N1 C1 C6 68.36(14) . . . . ?
Zn1 N1 C1 C6 -25.88(13) . . . . ?
O1 N1 C1 C6 48.77(10) . . . . ?
C5 N1 C1 C2 -42.35(17) . . . . ?
Li1 N1 C1 C2 -173.33(13) . . . . ?
Zn1 N1 C1 C2 92.43(13) . . . . ?
O1 N1 C1 C2 167.09(11) . . . . ?
C5 N1 C1 C7 82.02(15) . . . . ?
Li1 N1 C1 C7 -48.96(16) . . . . ?
Zn1 N1 C1 C7 -143.20(11) . . . . ?
O1 N1 C1 C7 -68.54(12) . . . . ?
N1 C1 C2 C3 49.61(17) . . . . ?
C6 C1 C2 C3 168.09(13) . . . . ?
C7 C1 C2 C3 -76.69(16) . . . . ?
C1 C2 C3 C4 -57.29(17) . . . . ?
C2 C3 C4 C5 58.23(18) . . . . ?
C1 N1 C5 C8 162.44(12) . . . . ?
Li1 N1 C5 C8 -69.23(15) . . . . ?
Zn1 N1 C5 C8 27.42(14) . . . . ?
O1 N1 C5 C8 -66.96(16) . . . . ?
C1 N1 C5 C4 43.73(16) . . . . ?
Li1 N1 C5 C4 172.06(12) . . . . ?
Zn1 N1 C5 C4 -91.29(12) . . . . ?
O1 N1 C5 C4 174.33(9) . . . . ?
C1 N1 C5 C9 -80.52(16) . . . . ?
Li1 N1 C5 C9 47.81(17) . . . . ?
Zn1 N1 C5 C9 144.46(11) . . . . ?
O1 N1 C5 C9 50.07(18) . . . . ?
C3 C4 C5 N1 -51.75(18) . . . . ?
C3 C4 C5 C8 -170.17(14) . . . . ?
C3 C4 C5 C9 74.76(18) . . . . ?
N1 Zn1 C10 C13 0.65(16) . . . . ?
C14 Zn1 C10 C13 179.62(11) . . . . ?
Li1 Zn1 C10 C13 -81.1(7) . . . . ?
Si1 Zn1 C10 C13 -148.48(10) . . . . ?
N1 Zn1 C10 C11 -121.26(12) . . . . ?
C14 Zn1 C10 C11 57.71(14) . . . . ?
Li1 Zn1 C10 C11 157.0(7) . . . . ?
Si1 Zn1 C10 C11 89.61(12) . . . . ?
N1 Zn1 C10 C12 122.41(11) . . . . ?
C14 Zn1 C10 C12 -58.62(13) . . . . ?
Li1 Zn1 C10 C12 40.7(8) . . . . ?
Si1 Zn1 C10 C12 -26.72(13) . . . . ?
O1 Si1 C14 Zn1 60.10(10) . . . . ?
C15 Si1 C14 Zn1 -54.88(11) . . . . ?
C16 Si1 C14 Zn1 177.49(8) . . . . ?
Li1 Si1 C14 Zn1 63.19(9) . . . . ?
O1 Si1 C14 Li1 -3.09(8) . . . . ?
C15 Si1 C14 Li1 -118.07(9) . . . . ?
C16 Si1 C14 Li1 114.30(9) . . . . ?
Zn1 Si1 C14 Li1 -63.19(9) . . . . ?
C10 Zn1 C14 Si1 105.55(9) . . . . ?
N1 Zn1 C14 Si1 -75.25(10) . . . . ?
Li1 Zn1 C14 Si1 -68.22(10) . . . . ?
C10 Zn1 C14 Li1 173.77(8) . . . . ?
N1 Zn1 C14 Li1 -7.02(8) . . . . ?
Si1 Zn1 C14 Li1 68.22(10) . . . . ?
O2 Li1 C14 Si1 -87.25(13) . . . . ?
O1 Li1 C14 Si1 2.74(7) . . . . ?
N1 Li1 C14 Si1 132.71(10) . . . . ?
Zn1 Li1 C14 Si1 125.93(8) . . . . ?
O2 Li1 C14 Zn1 146.82(13) . . . . ?
O1 Li1 C14 Zn1 -123.19(9) . . . . ?
N1 Li1 C14 Zn1 6.78(8) . . . . ?
Si1 Li1 C14 Zn1 -125.93(8) . . . . ?
Si1 O1 C17 C22 110.54(14) . . . . ?
Li1 O1 C17 C22 -88.73(17) . . . . ?
N1 O1 C17 C22 -56.90(17) . . . . ?
Si1 O1 C17 C18 -73.44(17) . . . . ?
Li1 O1 C17 C18 87.29(18) . . . . ?
N1 O1 C17 C18 119.12(13) . . . . ?
C22 C17 C18 C19 -0.5(2) . . . . ?
O1 C17 C18 C19 -176.44(14) . . . . ?
C17 C18 C19 C20 0.4(2) . . . . ?
C18 C19 C20 C21 0.2(2) . . . . ?
C19 C20 C21 C22 -0.6(2) . . . . ?
C18 C17 C22 C21 0.0(2) . . . . ?
O1 C17 C22 C21 176.05(14) . . . . ?
C20 C21 C22 C17 0.5(2) . . . . ?
C23B O2 C23A C24A -75.1(12) . . . . ?
C26 O2 C23A C24A 7.9(8) . . . . ?
Li1 O2 C23A C24A 174.8(7) . . . . ?
O2 C23A C24A C25 -24.7(10) . . . . ?
C26 O2 C23B C24B -42.1(7) . . . . ?
C23A O2 C23B C24B 62.7(11) . . . . ?
Li1 O2 C23B C24B 149.5(6) . . . . ?
O2 C23B C24B C25 30.7(10) . . . . ?
C23B C24B C25 C26 -7.7(9) . . . . ?
C23B C24B C25 C24A 53(6) . . . . ?
C23A C24A C25 C24B -90(6) . . . . ?
C23A C24A C25 C26 31.9(9) . . . . ?
C23B O2 C26 C25 38.6(2) . . . . ?
C23A O2 C26 C25 13.2(3) . . . . ?
Li1 O2 C26 C25 -152.95(14) . . . . ?
C24B C25 C26 O2 -17.0(7) . . . . ?
C24A C25 C26 O2 -26.5(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.890
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         0.462
_refine_diff_density_min         -0.356
_refine_diff_density_rms         0.056

#===END

#---------------------------------------------------------
#---------------COMPOUND 4--------------------------------
#---------------------------------------------------------
data_jkmat2
_database_code_depnum_ccdc_archive 'CCDC 721174'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C31 H54 Li N O2 Si2 Zn'
_chemical_formula_weight         601.24

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Zn Zn 0.2839 1.4301 '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'
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.4930(3)
_cell_length_b                   12.8910(3)
_cell_length_c                   20.8841(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.494(2)
_cell_angle_gamma                90.00
_cell_volume                     3360.14(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    21681
_cell_measurement_theta_min      2.4833
_cell_measurement_theta_max      30.4632

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.189
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1296
_exptl_absorpt_coefficient_mu    0.828
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.95347
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.24 (release 21-04-2008 CrysAlis171 .NET)
(compiled Apr 21 2008,18:23:10)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur S'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            55721
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_av_sigmaI/netI    0.0493
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.49
_diffrn_reflns_theta_max         30.55
_reflns_number_total             9627
_reflns_number_gt                7223
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0381P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9627
_refine_ls_number_parameters     363
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0635
_refine_ls_R_factor_gt           0.0352
_refine_ls_wR_factor_ref         0.0742
_refine_ls_wR_factor_gt          0.0685
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_restrained_S_all      0.997
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Zn1 Zn 0.227876(13) 0.015470(13) 0.398491(8) 0.01462(5) Uani 1 1 d . . .
Li1 Li 0.2763(2) -0.2005(2) 0.38759(13) 0.0222(6) Uani 1 1 d . . .
Si1 Si 0.30763(3) -0.12644(3) 0.52676(2) 0.01641(9) Uani 1 1 d . . .
Si4 Si 0.32869(3) -0.44943(3) 0.33429(2) 0.01971(10) Uani 1 1 d . . .
O1 O 0.27049(8) -0.23314(8) 0.48222(5) 0.0179(2) Uani 1 1 d . . .
O4 O 0.36238(8) -0.32502(8) 0.35354(5) 0.0184(2) Uani 1 1 d . . .
N3 N 0.19854(9) -0.09588(9) 0.33042(6) 0.0154(3) Uani 1 1 d . . .
C2 C 0.17711(12) 0.16373(12) 0.41345(7) 0.0175(3) Uani 1 1 d . . .
C11 C 0.34408(13) -0.03599(12) 0.46499(8) 0.0188(3) Uani 1 1 d . . .
C12 C 0.41439(13) -0.17042(14) 0.58562(8) 0.0254(4) Uani 1 1 d . . .
H12A H 0.4424 -0.1106 0.6100 0.038 Uiso 1 1 calc R . .
H12B H 0.4725 -0.2029 0.5628 0.038 Uiso 1 1 calc R . .
H12C H 0.3844 -0.2208 0.6150 0.038 Uiso 1 1 calc R . .
C13 C 0.19138(12) -0.08469(13) 0.57333(8) 0.0242(4) Uani 1 1 d . . .
H13A H 0.1307 -0.0681 0.5438 0.036 Uiso 1 1 calc R . .
H13B H 0.2111 -0.0231 0.5987 0.036 Uiso 1 1 calc R . .
H13C H 0.1711 -0.1409 0.6020 0.036 Uiso 1 1 calc R . .
C14 C 0.24035(12) -0.32584(12) 0.51030(7) 0.0185(3) Uani 1 1 d . . .
C15 C 0.13373(13) -0.34290(13) 0.52359(7) 0.0230(3) Uani 1 1 d . . .
H15A H 0.0820 -0.2898 0.5159 0.028 Uiso 1 1 calc R . .
C16 C 0.10335(15) -0.43759(14) 0.54804(8) 0.0289(4) Uani 1 1 d . . .
H16A H 0.0305 -0.4494 0.5570 0.035 Uiso 1 1 calc R . .
C17 C 0.17781(16) -0.51509(14) 0.55952(8) 0.0321(4) Uani 1 1 d . . .
H17A H 0.1561 -0.5804 0.5756 0.039 Uiso 1 1 calc R . .
C18 C 0.28423(15) -0.49723(13) 0.54749(8) 0.0312(4) Uani 1 1 d . . .
H18A H 0.3358 -0.5501 0.5559 0.037 Uiso 1 1 calc R . .
C19 C 0.31612(13) -0.40236(13) 0.52310(8) 0.0241(4) Uani 1 1 d . . .
H19A H 0.3894 -0.3901 0.5153 0.029 Uiso 1 1 calc R . .
C21 C 0.13127(12) 0.16594(13) 0.48016(8) 0.0222(3) Uani 1 1 d . . .
H21A H 0.1197 0.2380 0.4930 0.033 Uiso 1 1 calc R . .
H21B H 0.1818 0.1327 0.5109 0.033 Uiso 1 1 calc R . .
H21C H 0.0630 0.1285 0.4792 0.033 Uiso 1 1 calc R . .
C22 C 0.27770(13) 0.23152(13) 0.41508(8) 0.0253(4) Uani 1 1 d . . .
H22A H 0.2595 0.3018 0.4289 0.038 Uiso 1 1 calc R . .
H22B H 0.3064 0.2343 0.3722 0.038 Uiso 1 1 calc R . .
H22C H 0.3317 0.2019 0.4452 0.038 Uiso 1 1 calc R . .
C23 C 0.09491(14) 0.21425(13) 0.36703(8) 0.0272(4) Uani 1 1 d . . .
H23A H 0.0806 0.2852 0.3812 0.041 Uiso 1 1 calc R . .
H23B H 0.0283 0.1740 0.3662 0.041 Uiso 1 1 calc R . .
H23C H 0.1231 0.2159 0.3240 0.041 Uiso 1 1 calc R . .
C31 C 0.08210(12) -0.11917(12) 0.32191(7) 0.0198(3) Uani 1 1 d . . .
C32 C 0.02004(13) -0.03378(13) 0.28461(8) 0.0258(4) Uani 1 1 d . . .
H32A H 0.0163 0.0289 0.3118 0.031 Uiso 1 1 calc R . .
H32B H -0.0541 -0.0578 0.2747 0.031 Uiso 1 1 calc R . .
C33 C 0.07311(14) -0.00546(14) 0.22170(8) 0.0305(4) Uani 1 1 d . . .
H33A H 0.0681 -0.0651 0.1918 0.037 Uiso 1 1 calc R . .
H33B H 0.0349 0.0539 0.2011 0.037 Uiso 1 1 calc R . .
C34 C 0.19067(13) 0.02299(13) 0.23519(7) 0.0243(3) Uani 1 1 d . . .
H34A H 0.1950 0.0870 0.2614 0.029 Uiso 1 1 calc R . .
H34B H 0.2247 0.0372 0.1942 0.029 Uiso 1 1 calc R . .
C35 C 0.25199(12) -0.06454(12) 0.27082(7) 0.0180(3) Uani 1 1 d . . .
C41 C 0.31524(16) -0.46410(14) 0.24607(8) 0.0335(4) Uani 1 1 d . . .
H41A H 0.2686 -0.4093 0.2281 0.050 Uiso 1 1 calc R . .
H41B H 0.2840 -0.5320 0.2355 0.050 Uiso 1 1 calc R . .
H41C H 0.3861 -0.4587 0.2279 0.050 Uiso 1 1 calc R . .
C42 C 0.43595(13) -0.53399(13) 0.36941(9) 0.0281(4) Uani 1 1 d . . .
H42A H 0.4379 -0.5279 0.4162 0.042 Uiso 1 1 calc R . .
H42B H 0.5052 -0.5126 0.3534 0.042 Uiso 1 1 calc R . .
H42C H 0.4215 -0.6062 0.3572 0.042 Uiso 1 1 calc R . .
C43 C 0.19799(13) -0.47355(13) 0.36950(9) 0.0277(4) Uani 1 1 d . . .
H43A H 0.2078 -0.4789 0.4162 0.042 Uiso 1 1 calc R . .
H43B H 0.1676 -0.5385 0.3524 0.042 Uiso 1 1 calc R . .
H43C H 0.1491 -0.4161 0.3586 0.042 Uiso 1 1 calc R . .
C44 C 0.46877(12) -0.29181(11) 0.34949(7) 0.0177(3) Uani 1 1 d . . .
C45 C 0.52344(13) -0.26173(12) 0.40493(8) 0.0240(4) Uani 1 1 d . . .
H45A H 0.4897 -0.2646 0.4448 0.029 Uiso 1 1 calc R . .
C46 C 0.62825(14) -0.22720(14) 0.40223(9) 0.0332(4) Uani 1 1 d . . .
H46A H 0.6663 -0.2061 0.4404 0.040 Uiso 1 1 calc R . .
C47 C 0.67759(14) -0.22328(14) 0.34440(9) 0.0321(4) Uani 1 1 d . . .
H47A H 0.7497 -0.2003 0.3428 0.039 Uiso 1 1 calc R . .
C48 C 0.62210(14) -0.25263(13) 0.28913(9) 0.0290(4) Uani 1 1 d . . .
H48A H 0.6560 -0.2496 0.2493 0.035 Uiso 1 1 calc R . .
C49 C 0.51695(13) -0.28662(13) 0.29105(8) 0.0243(4) Uani 1 1 d . . .
H49A H 0.4784 -0.3061 0.2527 0.029 Uiso 1 1 calc R . .
C311 C 0.03771(13) -0.12491(16) 0.38900(8) 0.0328(4) Uani 1 1 d . . .
H31A H 0.0488 -0.0582 0.4108 0.049 Uiso 1 1 calc R . .
H31B H 0.0750 -0.1797 0.4137 0.049 Uiso 1 1 calc R . .
H31C H -0.0391 -0.1405 0.3855 0.049 Uiso 1 1 calc R . .
C312 C 0.05834(14) -0.22441(13) 0.28925(9) 0.0341(4) Uani 1 1 d . . .
H31D H 0.0717 -0.2192 0.2435 0.051 Uiso 1 1 calc R . .
H31E H -0.0168 -0.2431 0.2946 0.051 Uiso 1 1 calc R . .
H31F H 0.1049 -0.2778 0.3089 0.051 Uiso 1 1 calc R . .
C351 C 0.36374(12) -0.02343(13) 0.29073(8) 0.0233(3) Uani 1 1 d . . .
H35A H 0.3568 0.0369 0.3188 0.035 Uiso 1 1 calc R . .
H35B H 0.4013 -0.0031 0.2525 0.035 Uiso 1 1 calc R . .
H35C H 0.4046 -0.0779 0.3137 0.035 Uiso 1 1 calc R . .
C352 C 0.26933(14) -0.15470(13) 0.22361(8) 0.0263(4) Uani 1 1 d . . .
H35D H 0.2987 -0.2147 0.2472 0.039 Uiso 1 1 calc R . .
H35E H 0.3196 -0.1329 0.1915 0.039 Uiso 1 1 calc R . .
H35F H 0.2007 -0.1736 0.2023 0.039 Uiso 1 1 calc R . .
H11A H 0.3679(16) 0.0278(16) 0.4860(10) 0.044(6) Uiso 1 1 d . . .
H11B H 0.4069(15) -0.0650(15) 0.4431(9) 0.038(5) Uiso 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Zn1 0.01508(9) 0.01460(8) 0.01409(8) -0.00002(7) -0.00026(6) 0.00067(7)
Li1 0.0230(14) 0.0245(15) 0.0193(13) 0.0029(11) 0.0009(11) 0.0026(11)
Si1 0.0146(2) 0.0204(2) 0.0141(2) 0.00071(16) -0.00149(16) 0.00097(16)
Si4 0.0207(2) 0.0172(2) 0.0210(2) -0.00012(17) -0.00199(18) 0.00076(17)
O1 0.0202(6) 0.0179(5) 0.0156(5) 0.0016(4) 0.0005(4) 0.0010(4)
O4 0.0169(5) 0.0174(6) 0.0210(6) -0.0022(4) 0.0007(4) 0.0011(4)
N3 0.0146(6) 0.0182(6) 0.0134(6) 0.0001(5) 0.0001(5) -0.0007(5)
C2 0.0169(8) 0.0171(8) 0.0186(7) -0.0007(6) 0.0003(6) 0.0007(6)
C11 0.0170(8) 0.0202(9) 0.0192(8) 0.0018(6) -0.0011(6) -0.0007(6)
C12 0.0224(9) 0.0330(10) 0.0203(8) 0.0040(7) -0.0035(7) 0.0010(7)
C13 0.0233(9) 0.0274(9) 0.0219(8) -0.0028(7) 0.0020(7) 0.0001(7)
C14 0.0237(8) 0.0194(8) 0.0122(7) 0.0003(6) -0.0005(6) -0.0009(6)
C15 0.0230(9) 0.0259(9) 0.0201(8) -0.0021(7) 0.0004(7) -0.0006(7)
C16 0.0328(10) 0.0325(10) 0.0217(9) -0.0035(7) 0.0050(7) -0.0100(8)
C17 0.0517(12) 0.0238(9) 0.0207(8) 0.0023(7) -0.0011(8) -0.0128(8)
C18 0.0435(11) 0.0212(9) 0.0281(9) 0.0037(7) -0.0067(8) 0.0039(8)
C19 0.0243(9) 0.0243(9) 0.0235(8) 0.0023(7) -0.0010(7) 0.0036(7)
C21 0.0198(8) 0.0226(8) 0.0243(8) -0.0043(7) 0.0028(7) 0.0004(6)
C22 0.0281(9) 0.0192(8) 0.0291(9) 0.0008(7) 0.0054(7) -0.0023(7)
C23 0.0331(10) 0.0207(9) 0.0274(9) -0.0024(7) -0.0049(7) 0.0076(7)
C31 0.0194(8) 0.0212(8) 0.0185(8) 0.0006(6) -0.0033(6) -0.0031(6)
C32 0.0211(8) 0.0254(9) 0.0303(9) -0.0032(7) -0.0075(7) 0.0033(7)
C33 0.0364(10) 0.0288(10) 0.0256(9) 0.0051(7) -0.0076(7) 0.0060(8)
C34 0.0320(9) 0.0238(8) 0.0171(7) 0.0043(7) 0.0023(7) 0.0044(7)
C35 0.0222(8) 0.0174(8) 0.0147(7) 0.0007(6) 0.0023(6) 0.0023(6)
C41 0.0484(12) 0.0259(10) 0.0257(9) -0.0061(7) -0.0037(8) -0.0062(8)
C42 0.0241(9) 0.0212(9) 0.0390(10) 0.0040(7) 0.0024(8) 0.0022(7)
C43 0.0230(9) 0.0239(9) 0.0358(10) 0.0025(7) -0.0039(7) -0.0014(7)
C44 0.0182(8) 0.0126(7) 0.0222(8) 0.0004(6) -0.0001(6) 0.0033(6)
C45 0.0267(9) 0.0244(9) 0.0209(8) -0.0006(7) -0.0006(7) -0.0013(7)
C46 0.0296(10) 0.0343(10) 0.0348(10) -0.0025(8) -0.0087(8) -0.0090(8)
C47 0.0223(9) 0.0274(9) 0.0466(12) 0.0021(8) 0.0017(8) -0.0049(7)
C48 0.0271(9) 0.0272(9) 0.0337(10) 0.0009(8) 0.0117(8) 0.0008(7)
C49 0.0259(9) 0.0241(9) 0.0229(8) -0.0039(7) 0.0017(7) 0.0019(7)
C311 0.0197(9) 0.0518(12) 0.0268(9) 0.0056(8) 0.0003(7) -0.0095(8)
C312 0.0350(10) 0.0221(9) 0.0437(11) 0.0003(8) -0.0139(9) -0.0051(8)
C351 0.0226(8) 0.0262(8) 0.0215(8) 0.0018(7) 0.0063(6) -0.0002(7)
C352 0.0357(10) 0.0263(9) 0.0171(8) -0.0023(7) 0.0043(7) 0.0038(7)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Zn1 C2 2.0421(15) . ?
Zn1 N3 2.0422(12) . ?
Zn1 C11 2.0738(15) . ?
Zn1 Li1 2.860(3) . ?
Li1 N3 2.021(3) . ?
Li1 O1 2.025(3) . ?
Li1 O4 2.075(3) . ?
Li1 C11 2.776(3) . ?
Li1 Si1 3.068(3) . ?
Si1 O1 1.7132(11) . ?
Si1 C11 1.8117(16) . ?
Si1 C13 1.8621(16) . ?
Si1 C12 1.8625(16) . ?
Si4 O4 1.7018(11) . ?
Si4 C43 1.8461(17) . ?
Si4 C41 1.8525(18) . ?
Si4 C42 1.8537(17) . ?
O1 C14 1.3904(18) . ?
O4 C44 1.4024(17) . ?
N3 C31 1.4883(19) . ?
N3 C35 1.4936(18) . ?
C2 C23 1.527(2) . ?
C2 C21 1.529(2) . ?
C2 C22 1.530(2) . ?
C11 H11A 0.97(2) . ?
C11 H11B 0.998(19) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C19 1.385(2) . ?
C14 C15 1.390(2) . ?
C15 C16 1.383(2) . ?
C15 H15A 0.9500 . ?
C16 C17 1.379(3) . ?
C16 H16A 0.9500 . ?
C17 C18 1.383(3) . ?
C17 H17A 0.9500 . ?
C18 C19 1.390(2) . ?
C18 H18A 0.9500 . ?
C19 H19A 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C31 C311 1.531(2) . ?
C31 C32 1.539(2) . ?
C31 C312 1.542(2) . ?
C32 C33 1.541(2) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.528(2) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.538(2) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C351 1.534(2) . ?
C35 C352 1.545(2) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C45 1.374(2) . ?
C44 C49 1.386(2) . ?
C45 C46 1.386(2) . ?
C45 H45A 0.9500 . ?
C46 C47 1.380(3) . ?
C46 H46A 0.9500 . ?
C47 C48 1.373(3) . ?
C47 H47A 0.9500 . ?
C48 C49 1.387(2) . ?
C48 H48A 0.9500 . ?
C49 H49A 0.9500 . ?
C311 H31A 0.9800 . ?
C311 H31B 0.9800 . ?
C311 H31C 0.9800 . ?
C312 H31D 0.9800 . ?
C312 H31E 0.9800 . ?
C312 H31F 0.9800 . ?
C351 H35A 0.9800 . ?
C351 H35B 0.9800 . ?
C351 H35C 0.9800 . ?
C352 H35D 0.9800 . ?
C352 H35E 0.9800 . ?
C352 H35F 0.9800 . ?

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
C2 Zn1 N3 135.80(5) . . ?
C2 Zn1 C11 114.20(6) . . ?
N3 Zn1 C11 109.91(6) . . ?
C2 Zn1 Li1 172.47(7) . . ?
N3 Zn1 Li1 44.98(6) . . ?
C11 Zn1 Li1 66.27(7) . . ?
N3 Li1 O1 132.73(15) . . ?
N3 Li1 O4 123.81(14) . . ?
O1 Li1 O4 102.39(12) . . ?
N3 Li1 C11 87.77(11) . . ?
O1 Li1 C11 67.27(9) . . ?
O4 Li1 C11 129.86(12) . . ?
N3 Li1 Zn1 45.57(6) . . ?
O1 Li1 Zn1 96.21(10) . . ?
O4 Li1 Zn1 153.49(13) . . ?
C11 Li1 Zn1 43.15(5) . . ?
N3 Li1 Si1 112.98(11) . . ?
O1 Li1 Si1 31.64(5) . . ?
O4 Li1 Si1 121.24(11) . . ?
C11 Li1 Si1 35.68(5) . . ?
Zn1 Li1 Si1 68.93(6) . . ?
O1 Si1 C11 101.57(7) . . ?
O1 Si1 C13 108.46(6) . . ?
C11 Si1 C13 114.32(8) . . ?
O1 Si1 C12 106.46(7) . . ?
C11 Si1 C12 118.09(8) . . ?
C13 Si1 C12 107.20(7) . . ?
O1 Si1 Li1 38.32(6) . . ?
C11 Si1 Li1 63.34(7) . . ?
C13 Si1 Li1 120.95(7) . . ?
C12 Si1 Li1 126.07(7) . . ?
O4 Si4 C43 106.18(7) . . ?
O4 Si4 C41 110.00(7) . . ?
C43 Si4 C41 109.59(9) . . ?
O4 Si4 C42 107.08(7) . . ?
C43 Si4 C42 112.33(8) . . ?
C41 Si4 C42 111.49(9) . . ?
C14 O1 Si1 122.20(9) . . ?
C14 O1 Li1 127.76(12) . . ?
Si1 O1 Li1 110.04(9) . . ?
C44 O4 Si4 119.92(9) . . ?
C44 O4 Li1 106.93(11) . . ?
Si4 O4 Li1 133.12(9) . . ?
C31 N3 C35 115.17(11) . . ?
C31 N3 Li1 112.21(12) . . ?
C35 N3 Li1 116.87(12) . . ?
C31 N3 Zn1 111.70(9) . . ?
C35 N3 Zn1 108.47(9) . . ?
Li1 N3 Zn1 89.45(9) . . ?
C23 C2 C21 107.59(13) . . ?
C23 C2 C22 107.43(13) . . ?
C21 C2 C22 108.00(12) . . ?
C23 C2 Zn1 120.45(10) . . ?
C21 C2 Zn1 106.73(10) . . ?
C22 C2 Zn1 106.12(10) . . ?
Si1 C11 Zn1 119.50(8) . . ?
Si1 C11 Li1 80.98(8) . . ?
Zn1 C11 Li1 70.58(7) . . ?
Si1 C11 H11A 107.8(12) . . ?
Zn1 C11 H11A 102.9(12) . . ?
Li1 C11 H11A 171.1(12) . . ?
Si1 C11 H11B 108.2(11) . . ?
Zn1 C11 H11B 110.7(11) . . ?
Li1 C11 H11B 70.9(11) . . ?
H11A C11 H11B 107.0(16) . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C19 C14 C15 120.11(15) . . ?
C19 C14 O1 119.88(14) . . ?
C15 C14 O1 119.98(13) . . ?
C16 C15 C14 119.62(16) . . ?
C16 C15 H15A 120.2 . . ?
C14 C15 H15A 120.2 . . ?
C17 C16 C15 120.66(17) . . ?
C17 C16 H16A 119.7 . . ?
C15 C16 H16A 119.7 . . ?
C16 C17 C18 119.63(16) . . ?
C16 C17 H17A 120.2 . . ?
C18 C17 H17A 120.2 . . ?
C17 C18 C19 120.42(16) . . ?
C17 C18 H18A 119.8 . . ?
C19 C18 H18A 119.8 . . ?
C14 C19 C18 119.53(16) . . ?
C14 C19 H19A 120.2 . . ?
C18 C19 H19A 120.2 . . ?
C2 C21 H21A 109.5 . . ?
C2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C2 C22 H22A 109.5 . . ?
C2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C2 C23 H23A 109.5 . . ?
C2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N3 C31 C311 106.96(12) . . ?
N3 C31 C32 112.61(13) . . ?
C311 C31 C32 107.65(14) . . ?
N3 C31 C312 113.50(13) . . ?
C311 C31 C312 106.98(14) . . ?
C32 C31 C312 108.82(13) . . ?
C31 C32 C33 112.03(14) . . ?
C31 C32 H32A 109.2 . . ?
C33 C32 H32A 109.2 . . ?
C31 C32 H32B 109.2 . . ?
C33 C32 H32B 109.2 . . ?
H32A C32 H32B 107.9 . . ?
C34 C33 C32 110.20(13) . . ?
C34 C33 H33A 109.6 . . ?
C32 C33 H33A 109.6 . . ?
C34 C33 H33B 109.6 . . ?
C32 C33 H33B 109.6 . . ?
H33A C33 H33B 108.1 . . ?
C33 C34 C35 111.58(14) . . ?
C33 C34 H34A 109.3 . . ?
C35 C34 H34A 109.3 . . ?
C33 C34 H34B 109.3 . . ?
C35 C34 H34B 109.3 . . ?
H34A C34 H34B 108.0 . . ?
N3 C35 C351 107.59(12) . . ?
N3 C35 C34 111.74(12) . . ?
C351 C35 C34 107.83(13) . . ?
N3 C35 C352 114.10(12) . . ?
C351 C35 C352 106.36(13) . . ?
C34 C35 C352 108.90(13) . . ?
Si4 C41 H41A 109.5 . . ?
Si4 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si4 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si4 C42 H42A 109.5 . . ?
Si4 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si4 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Si4 C43 H43A 109.5 . . ?
Si4 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
Si4 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C45 C44 C49 120.62(14) . . ?
C45 C44 O4 118.23(14) . . ?
C49 C44 O4 121.13(14) . . ?
C44 C45 C46 119.47(16) . . ?
C44 C45 H45A 120.3 . . ?
C46 C45 H45A 120.3 . . ?
C47 C46 C45 120.39(16) . . ?
C47 C46 H46A 119.8 . . ?
C45 C46 H46A 119.8 . . ?
C48 C47 C46 119.79(16) . . ?
C48 C47 H47A 120.1 . . ?
C46 C47 H47A 120.1 . . ?
C47 C48 C49 120.45(16) . . ?
C47 C48 H48A 119.8 . . ?
C49 C48 H48A 119.8 . . ?
C44 C49 C48 119.27(16) . . ?
C44 C49 H49A 120.4 . . ?
C48 C49 H49A 120.4 . . ?
C31 C311 H31A 109.5 . . ?
C31 C311 H31B 109.5 . . ?
H31A C311 H31B 109.5 . . ?
C31 C311 H31C 109.5 . . ?
H31A C311 H31C 109.5 . . ?
H31B C311 H31C 109.5 . . ?
C31 C312 H31D 109.5 . . ?
C31 C312 H31E 109.5 . . ?
H31D C312 H31E 109.5 . . ?
C31 C312 H31F 109.5 . . ?
H31D C312 H31F 109.5 . . ?
H31E C312 H31F 109.5 . . ?
C35 C351 H35A 109.5 . . ?
C35 C351 H35B 109.5 . . ?
H35A C351 H35B 109.5 . . ?
C35 C351 H35C 109.5 . . ?
H35A C351 H35C 109.5 . . ?
H35B C351 H35C 109.5 . . ?
C35 C352 H35D 109.5 . . ?
C35 C352 H35E 109.5 . . ?
H35D C352 H35E 109.5 . . ?
C35 C352 H35F 109.5 . . ?
H35D C352 H35F 109.5 . . ?
H35E C352 H35F 109.5 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 Zn1 Li1 N3 99.7(5) . . . . ?
C11 Zn1 Li1 N3 -165.06(10) . . . . ?
C2 Zn1 Li1 O1 -48.5(6) . . . . ?
N3 Zn1 Li1 O1 -148.13(14) . . . . ?
C11 Zn1 Li1 O1 46.81(9) . . . . ?
C2 Zn1 Li1 O4 177.0(4) . . . . ?
N3 Zn1 Li1 O4 77.3(3) . . . . ?
C11 Zn1 Li1 O4 -87.8(3) . . . . ?
C2 Zn1 Li1 C11 -95.3(5) . . . . ?
N3 Zn1 Li1 C11 165.06(10) . . . . ?
C2 Zn1 Li1 Si1 -64.8(5) . . . . ?
N3 Zn1 Li1 Si1 -164.47(10) . . . . ?
C11 Zn1 Li1 Si1 30.47(5) . . . . ?
N3 Li1 Si1 O1 135.79(17) . . . . ?
O4 Li1 Si1 O1 -59.61(12) . . . . ?
C11 Li1 Si1 O1 -175.74(12) . . . . ?
Zn1 Li1 Si1 O1 147.77(11) . . . . ?
N3 Li1 Si1 C11 -48.47(11) . . . . ?
O1 Li1 Si1 C11 175.74(12) . . . . ?
O4 Li1 Si1 C11 116.13(15) . . . . ?
Zn1 Li1 Si1 C11 -36.48(6) . . . . ?
N3 Li1 Si1 C13 55.19(15) . . . . ?
O1 Li1 Si1 C13 -80.60(11) . . . . ?
O4 Li1 Si1 C13 -140.21(12) . . . . ?
C11 Li1 Si1 C13 103.66(9) . . . . ?
Zn1 Li1 Si1 C13 67.17(9) . . . . ?
N3 Li1 Si1 C12 -155.09(10) . . . . ?
O1 Li1 Si1 C12 69.12(12) . . . . ?
O4 Li1 Si1 C12 9.50(17) . . . . ?
C11 Li1 Si1 C12 -106.63(10) . . . . ?
Zn1 Li1 Si1 C12 -143.11(7) . . . . ?
C11 Si1 O1 C14 176.88(11) . . . . ?
C13 Si1 O1 C14 -62.36(12) . . . . ?
C12 Si1 O1 C14 52.70(12) . . . . ?
Li1 Si1 O1 C14 -179.24(16) . . . . ?
C11 Si1 O1 Li1 -3.88(11) . . . . ?
C13 Si1 O1 Li1 116.88(10) . . . . ?
C12 Si1 O1 Li1 -128.06(10) . . . . ?
N3 Li1 O1 C14 118.3(2) . . . . ?
O4 Li1 O1 C14 -49.85(18) . . . . ?
C11 Li1 O1 C14 -178.12(13) . . . . ?
Zn1 Li1 O1 C14 149.15(11) . . . . ?
Si1 Li1 O1 C14 179.19(17) . . . . ?
N3 Li1 O1 Si1 -60.9(2) . . . . ?
O4 Li1 O1 Si1 130.96(9) . . . . ?
C11 Li1 O1 Si1 2.69(8) . . . . ?
Zn1 Li1 O1 Si1 -30.04(10) . . . . ?
C43 Si4 O4 C44 162.41(11) . . . . ?
C41 Si4 O4 C44 -79.10(12) . . . . ?
C42 Si4 O4 C44 42.21(12) . . . . ?
C43 Si4 O4 Li1 -15.00(14) . . . . ?
C41 Si4 O4 Li1 103.50(14) . . . . ?
C42 Si4 O4 Li1 -135.20(13) . . . . ?
N3 Li1 O4 C44 92.24(17) . . . . ?
O1 Li1 O4 C44 -98.25(13) . . . . ?
C11 Li1 O4 C44 -27.64(19) . . . . ?
Zn1 Li1 O4 C44 35.3(3) . . . . ?
Si1 Li1 O4 C44 -70.65(15) . . . . ?
N3 Li1 O4 Si4 -90.11(18) . . . . ?
O1 Li1 O4 Si4 79.40(15) . . . . ?
C11 Li1 O4 Si4 150.01(11) . . . . ?
Zn1 Li1 O4 Si4 -147.1(2) . . . . ?
Si1 Li1 O4 Si4 107.00(13) . . . . ?
O1 Li1 N3 C31 -67.7(2) . . . . ?
O4 Li1 N3 C31 98.31(17) . . . . ?
C11 Li1 N3 C31 -123.46(11) . . . . ?
Zn1 Li1 N3 C31 -113.30(11) . . . . ?
Si1 Li1 N3 C31 -97.55(13) . . . . ?
O1 Li1 N3 C35 156.12(17) . . . . ?
O4 Li1 N3 C35 -37.9(2) . . . . ?
C11 Li1 N3 C35 100.34(12) . . . . ?
Zn1 Li1 N3 C35 110.51(12) . . . . ?
Si1 Li1 N3 C35 126.25(12) . . . . ?
O1 Li1 N3 Zn1 45.61(19) . . . . ?
O4 Li1 N3 Zn1 -148.40(15) . . . . ?
C11 Li1 N3 Zn1 -10.16(7) . . . . ?
Si1 Li1 N3 Zn1 15.74(10) . . . . ?
C2 Zn1 N3 C31 -55.56(12) . . . . ?
C11 Zn1 N3 C31 128.31(10) . . . . ?
Li1 Zn1 N3 C31 113.77(13) . . . . ?
C2 Zn1 N3 C35 72.43(11) . . . . ?
C11 Zn1 N3 C35 -103.71(10) . . . . ?
Li1 Zn1 N3 C35 -118.25(13) . . . . ?
C2 Zn1 N3 Li1 -169.32(10) . . . . ?
C11 Zn1 N3 Li1 14.54(10) . . . . ?
N3 Zn1 C2 C23 1.59(16) . . . . ?
C11 Zn1 C2 C23 177.61(12) . . . . ?
Li1 Zn1 C2 C23 -90.5(5) . . . . ?
N3 Zn1 C2 C21 124.46(10) . . . . ?
C11 Zn1 C2 C21 -59.52(11) . . . . ?
Li1 Zn1 C2 C21 32.4(6) . . . . ?
N3 Zn1 C2 C22 -120.52(10) . . . . ?
C11 Zn1 C2 C22 55.49(12) . . . . ?
Li1 Zn1 C2 C22 147.4(5) . . . . ?
O1 Si1 C11 Zn1 64.23(10) . . . . ?
C13 Si1 C11 Zn1 -52.34(12) . . . . ?
C12 Si1 C11 Zn1 -179.85(8) . . . . ?
Li1 Si1 C11 Zn1 61.53(9) . . . . ?
O1 Si1 C11 Li1 2.69(8) . . . . ?
C13 Si1 C11 Li1 -113.87(9) . . . . ?
C12 Si1 C11 Li1 118.61(9) . . . . ?
C2 Zn1 C11 Si1 104.76(10) . . . . ?
N3 Zn1 C11 Si1 -78.20(10) . . . . ?
Li1 Zn1 C11 Si1 -67.02(10) . . . . ?
C2 Zn1 C11 Li1 171.77(7) . . . . ?
N3 Zn1 C11 Li1 -11.18(8) . . . . ?
N3 Li1 C11 Si1 136.39(10) . . . . ?
O1 Li1 C11 Si1 -2.42(7) . . . . ?
O4 Li1 C11 Si1 -89.74(16) . . . . ?
Zn1 Li1 C11 Si1 125.78(8) . . . . ?
N3 Li1 C11 Zn1 10.62(7) . . . . ?
O1 Li1 C11 Zn1 -128.20(9) . . . . ?
O4 Li1 C11 Zn1 144.48(16) . . . . ?
Si1 Li1 C11 Zn1 -125.78(8) . . . . ?
Si1 O1 C14 C19 -92.72(15) . . . . ?
Li1 O1 C14 C19 88.18(18) . . . . ?
Si1 O1 C14 C15 89.34(15) . . . . ?
Li1 O1 C14 C15 -89.76(18) . . . . ?
C19 C14 C15 C16 -1.7(2) . . . . ?
O1 C14 C15 C16 176.23(14) . . . . ?
C14 C15 C16 C17 0.2(2) . . . . ?
C15 C16 C17 C18 1.1(3) . . . . ?
C16 C17 C18 C19 -0.9(3) . . . . ?
C15 C14 C19 C18 1.9(2) . . . . ?
O1 C14 C19 C18 -176.03(14) . . . . ?
C17 C18 C19 C14 -0.6(2) . . . . ?
C35 N3 C31 C311 -167.32(13) . . . . ?
Li1 N3 C31 C311 55.69(16) . . . . ?
Zn1 N3 C31 C311 -43.02(14) . . . . ?
C35 N3 C31 C32 -49.27(17) . . . . ?
Li1 N3 C31 C32 173.75(13) . . . . ?
Zn1 N3 C31 C32 75.04(13) . . . . ?
C35 N3 C31 C312 74.93(16) . . . . ?
Li1 N3 C31 C312 -62.05(17) . . . . ?
Zn1 N3 C31 C312 -160.76(11) . . . . ?
N3 C31 C32 C33 50.46(18) . . . . ?
C311 C31 C32 C33 168.11(14) . . . . ?
C312 C31 C32 C33 -76.28(17) . . . . ?
C31 C32 C33 C34 -54.08(18) . . . . ?
C32 C33 C34 C35 55.87(18) . . . . ?
C31 N3 C35 C351 169.01(12) . . . . ?
Li1 N3 C35 C351 -56.07(16) . . . . ?
Zn1 N3 C35 C351 43.02(13) . . . . ?
C31 N3 C35 C34 50.83(17) . . . . ?
Li1 N3 C35 C34 -174.25(13) . . . . ?
Zn1 N3 C35 C34 -75.16(13) . . . . ?
C31 N3 C35 C352 -73.25(16) . . . . ?
Li1 N3 C35 C352 61.67(17) . . . . ?
Zn1 N3 C35 C352 160.76(11) . . . . ?
C33 C34 C35 N3 -53.93(17) . . . . ?
C33 C34 C35 C351 -171.97(13) . . . . ?
C33 C34 C35 C352 73.02(17) . . . . ?
Si4 O4 C44 C45 -116.25(13) . . . . ?
Li1 O4 C44 C45 61.77(16) . . . . ?
Si4 O4 C44 C49 65.48(17) . . . . ?
Li1 O4 C44 C49 -116.50(15) . . . . ?
C49 C44 C45 C46 -0.9(2) . . . . ?
O4 C44 C45 C46 -179.13(14) . . . . ?
C44 C45 C46 C47 -0.2(3) . . . . ?
C45 C46 C47 C48 0.7(3) . . . . ?
C46 C47 C48 C49 -0.3(3) . . . . ?
C45 C44 C49 C48 1.3(2) . . . . ?
O4 C44 C49 C48 179.54(14) . . . . ?
C47 C48 C49 C44 -0.7(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.936
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.489
_refine_diff_density_min         -0.299
_refine_diff_density_rms         0.054

#===END