#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:28:04 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179897 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/93/7019305.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_7019305
loop_
_publ_author_name
'Jeletic, Matthew'
'Perras, Frédéric A'
'Gorelsky, Serge I.'
'Le Roy, Jennifer J.'
'Korobkov, Ilia'
'Bryce, David L.'
'Murugesu, Muralee'
_publ_section_title
;
 First structural evidence for multiple alkali metals between sandwich
 decks in a metallocene.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8060
_journal_page_last               8066
_journal_paper_doi               10.1039/c2dt30164d
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C44 H80 Li4 O4 Si4'
_chemical_formula_weight         813.20
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                99.865(12)
_cell_angle_beta                 108.105(11)
_cell_angle_gamma                97.319(13)
_cell_formula_units_Z            1
_cell_length_a                   10.713(2)
_cell_length_b                   11.295(3)
_cell_length_c                   11.483(2)
_cell_measurement_reflns_used    6085
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.94
_cell_measurement_theta_min      2.48
_cell_volume                     1276.7(5)
_computing_cell_refinement       'APEX II, Bruker (2009)'
_computing_data_collection       'APEX II, Bruker (2009)'
_computing_data_reduction        'XPREP, Bruker (2009)'
_computing_molecular_graphics    'SHELXTL, Bruker (2004)'
_computing_publication_material  'SHELXTL, Bruker (2004)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.938
_diffrn_measured_fraction_theta_max 0.938
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_av_sigmaI/netI    0.0528
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14794
_diffrn_reflns_theta_full        28.53
_diffrn_reflns_theta_max         28.53
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    0.152
_exptl_absorpt_correction_T_max  0.9747
_exptl_absorpt_correction_T_min  0.9574
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.058
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             444
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.328
_refine_diff_density_min         -0.890
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         6090
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0903
_refine_ls_R_factor_gt           0.0577
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0887P)²+0.2472P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1536
_refine_ls_wR_factor_ref         0.1773
_reflns_number_gt                4083
_reflns_number_total             6090
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30164d.txt
_cod_data_source_block           mm093
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'n/a' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1276.8(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7019305
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 0.1130(4) 0.7203(4) 0.8051(4) 0.0503(9) Uani 1 1 d . . .
Li2 Li -0.1275(5) 0.9470(5) 0.9080(5) 0.0771(15) Uani 1 1 d . . .
O1 O 0.15070(19) 0.55492(15) 0.79676(19) 0.0608(5) Uani 1 1 d . B .
O2 O 0.16658(17) 0.75989(15) 0.66868(15) 0.0515(4) Uani 1 1 d . D .
Si1 Si 0.33299(6) 0.82213(6) 1.13468(6) 0.04302(18) Uani 1 1 d . . .
Si2 Si -0.27658(6) 0.68472(6) 0.65808(6) 0.04465(19) Uani 1 1 d . . .
C1 C -0.1207(2) 0.78923(19) 0.76748(19) 0.0372(4) Uani 1 1 d . . .
C2 C -0.05969(19) 0.74394(18) 0.87697(19) 0.0365(4) Uani 1 1 d . . .
H2A H -0.1185 0.6772 0.8839 0.044 Uiso 1 1 calc R . .
C3 C 0.06298(19) 0.77121(18) 0.97642(18) 0.0358(4) Uani 1 1 d . . .
H3A H 0.0621 0.7230 1.0364 0.043 Uiso 1 1 calc R . .
C4 C 0.1887(2) 0.85229(18) 1.01117(19) 0.0364(4) Uani 1 1 d . . .
C5 C 0.2208(2) 0.95952(18) 0.9686(2) 0.0395(5) Uani 1 1 d . . .
H5A H 0.3136 0.9945 1.0033 0.047 Uiso 1 1 calc R . .
C6 C 0.1485(2) 1.02556(18) 0.8881(2) 0.0412(5) Uani 1 1 d . . .
H6A H 0.1969 1.1057 0.8996 0.049 Uiso 1 1 calc R . .
C7 C 0.0225(2) 1.0030(2) 0.7947(2) 0.0447(5) Uani 1 1 d . . .
H7A H 0.0038 1.0734 0.7627 0.054 Uiso 1 1 calc R . .
C8 C -0.0833(2) 0.9019(2) 0.7368(2) 0.0433(5) Uani 1 1 d . . .
H8A H -0.1434 0.9109 0.6596 0.052 Uiso 1 1 calc R . .
C9 C 0.2953(3) 0.6758(3) 1.1812(3) 0.0786(9) Uani 1 1 d . . .
H9A H 0.2181 0.6758 1.2098 0.118 Uiso 1 1 calc R . .
H9B H 0.3731 0.6671 1.2495 0.118 Uiso 1 1 calc R . .
H9C H 0.2748 0.6072 1.1089 0.118 Uiso 1 1 calc R . .
C10 C 0.3873(3) 0.9449(3) 1.2816(3) 0.0778(9) Uani 1 1 d . . .
H10A H 0.3125 0.9498 1.3130 0.117 Uiso 1 1 calc R . .
H10B H 0.4156 1.0237 1.2634 0.117 Uiso 1 1 calc R . .
H10C H 0.4622 0.9258 1.3453 0.117 Uiso 1 1 calc R . .
C11 C 0.4809(3) 0.8176(3) 1.0813(3) 0.0765(9) Uani 1 1 d . . .
H11A H 0.4564 0.7543 1.0039 0.115 Uiso 1 1 calc R . .
H11B H 0.5545 0.7988 1.1468 0.115 Uiso 1 1 calc R . .
H11C H 0.5094 0.8974 1.0653 0.115 Uiso 1 1 calc R . .
C12 C -0.3577(3) 0.7444(3) 0.5170(3) 0.0707(8) Uani 1 1 d . . .
H12A H -0.2935 0.7607 0.4740 0.106 Uiso 1 1 calc R . .
H12B H -0.3865 0.8204 0.5433 0.106 Uiso 1 1 calc R . .
H12C H -0.4356 0.6835 0.4597 0.106 Uiso 1 1 calc R . .
C13 C -0.4022(3) 0.6553(3) 0.7383(3) 0.0692(8) Uani 1 1 d . . .
H13A H -0.4244 0.7330 0.7705 0.104 Uiso 1 1 calc R . .
H13B H -0.3643 0.6168 0.8082 0.104 Uiso 1 1 calc R . .
H13C H -0.4835 0.6007 0.6779 0.104 Uiso 1 1 calc R . .
C14 C -0.2405(3) 0.5320(2) 0.5996(3) 0.0580(6) Uani 1 1 d . . .
H14A H -0.1750 0.5428 0.5569 0.087 Uiso 1 1 calc R . .
H14B H -0.3234 0.4787 0.5406 0.087 Uiso 1 1 calc R . .
H14C H -0.2042 0.4946 0.6708 0.087 Uiso 1 1 calc R . .
C15 C 0.0958(3) 0.4593(2) 0.8428(3) 0.0665(8) Uani 1 1 d . B .
H15A H 0.0075 0.4158 0.7817 0.080 Uiso 1 1 calc R . .
H15B H 0.0843 0.4929 0.9235 0.080 Uiso 1 1 calc R . .
C16 C 0.1922(4) 0.3740(3) 0.8611(5) 0.1041(13) Uani 1 1 d . . .
H16A H 0.1535 0.2950 0.7991 0.125 Uiso 0.50 1 calc PR A 1
H16B H 0.2151 0.3584 0.9468 0.125 Uiso 0.50 1 calc PR A 1
H16C H 0.0007 0.0001 0.0002 0.125 Uiso 0.50 1 d PR A 2
H16D H 0.0007 0.0001 0.0002 0.125 Uiso 0.50 1 d PR A 2
C17 C 0.3177(8) 0.4393(7) 0.8414(9) 0.077(2) Uani 0.50 1 d PU B 1
H17A H 0.3857 0.4851 0.9223 0.092 Uiso 0.50 1 calc PR B 1
H17B H 0.3582 0.3804 0.7975 0.092 Uiso 0.50 1 calc PR B 1
C17' C 0.2539(10) 0.3901(8) 0.7751(8) 0.085(2) Uani 0.50 1 d PU B 2
H17C H 0.2025 0.3340 0.6928 0.101 Uiso 0.50 1 calc PR B 2
H17D H 0.3453 0.3722 0.8038 0.101 Uiso 0.50 1 calc PR B 2
C18 C 0.2607(4) 0.5224(3) 0.7627(4) 0.0873(11) Uani 1 1 d . . .
H18A H 0.3287 0.5965 0.7773 0.105 Uiso 0.50 1 calc PR B 1
H18B H 0.2301 0.4810 0.6726 0.105 Uiso 0.50 1 calc PR B 1
H18C H 0.3467 0.5741 0.8204 0.105 Uiso 0.50 1 d PR B 2
H18D H 0.2503 0.5288 0.6754 0.105 Uiso 0.50 1 d PR B 2
C19 C 0.0714(3) 0.7345(3) 0.5436(2) 0.0628(7) Uani 1 1 d . . .
H19A H -0.0209 0.7315 0.5449 0.075 Uiso 0.50 1 calc PR C 1
H19B H 0.0762 0.6558 0.4933 0.075 Uiso 0.50 1 calc PR C 1
H19C H -0.0135 0.7596 0.5446 0.075 Uiso 0.50 1 d PR C 2
H19D H 0.0524 0.6459 0.5047 0.075 Uiso 0.50 1 d PR C 2
C20 C 0.118(3) 0.8496(16) 0.488(3) 0.103(5) Uani 0.50 1 d PU D 1
H20A H 0.1009 0.8250 0.3968 0.123 Uiso 0.50 1 calc PR D 1
H20B H 0.0724 0.9184 0.5047 0.123 Uiso 0.50 1 calc PR D 1
C21 C 0.2543(14) 0.8792(14) 0.5570(12) 0.130(5) Uani 0.50 1 d PU D 1
H21A H 0.2880 0.9673 0.5667 0.156 Uiso 0.50 1 calc PR D 1
H21B H 0.3034 0.8315 0.5120 0.156 Uiso 0.50 1 calc PR D 1
C20' C 0.122(3) 0.8063(14) 0.477(2) 0.103(5) Uani 0.50 1 d PU D 2
H20C H 0.0498 0.8311 0.4143 0.123 Uiso 0.50 1 calc PR D 2
H20D H 0.1749 0.7621 0.4332 0.123 Uiso 0.50 1 calc PR D 2
C21' C 0.2159(12) 0.9225(8) 0.5815(10) 0.070(2) Uani 0.50 1 d PU D 2
H21C H 0.2834 0.9664 0.5535 0.084 Uiso 0.50 1 calc PR D 2
H21D H 0.1641 0.9802 0.6109 0.084 Uiso 0.50 1 calc PR D 2
C22 C 0.2764(3) 0.8519(3) 0.6778(3) 0.0673(8) Uani 1 1 d . . .
H22A H 0.3614 0.8217 0.7052 0.081 Uiso 0.50 1 calc PR D 1
H22B H 0.2826 0.9265 0.7403 0.081 Uiso 0.50 1 calc PR D 1
H22C H 0.3481 0.8141 0.6581 0.081 Uiso 0.50 1 d PR D 2
H22D H 0.3142 0.9055 0.7632 0.081 Uiso 0.50 1 d PR D 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
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'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O2 Li1 O1 99.49(18) . .
O2 Li1 C3 152.3(2) . .
O1 Li1 C3 107.06(18) . .
O2 Li1 C2 136.6(2) . .
O1 Li1 C2 112.06(18) . .
C3 Li1 C2 36.51(9) . .
O2 Li1 C4 123.2(2) . .
O1 Li1 C4 116.0(2) . .
C3 Li1 C4 35.80(9) . .
C2 Li1 C4 68.42(12) . .
O2 Li1 C1 103.90(19) . .
O1 Li1 C1 128.3(2) . .
C3 Li1 C1 65.46(12) . .
C2 Li1 C1 32.86(9) . .
C4 Li1 C1 87.75(13) . .
C8 Li2 C5 155.1(3) . 2_577
C8 Li2 C1 37.89(11) . .
C5 Li2 C1 152.5(3) 2_577 .
C8 Li2 C6 169.7(3) . 2_577
C5 Li2 C6 35.17(10) 2_577 2_577
C1 Li2 C6 135.3(3) . 2_577
C8 Li2 C7 34.79(11) . .
C5 Li2 C7 137.6(3) 2_577 .
C1 Li2 C7 67.68(14) . .
C6 Li2 C7 143.3(2) 2_577 .
C8 Li2 C2 67.12(15) . .
C5 Li2 C2 135.1(3) 2_577 .
C1 Li2 C2 34.90(11) . .
C6 Li2 C2 103.8(2) 2_577 .
C7 Li2 C2 84.46(15) . .
C8 Li2 C4 125.2(3) . 2_577
C5 Li2 C4 33.98(10) 2_577 2_577
C1 Li2 C4 157.3(3) . 2_577
C6 Li2 C4 63.69(13) 2_577 2_577
C7 Li2 C4 104.5(2) . 2_577
C2 Li2 C4 167.3(3) . 2_577
C8 Li2 Li2 103.4(2) . 2_577
C5 Li2 Li2 89.1(2) 2_577 2_577
C1 Li2 Li2 112.8(3) . 2_577
C6 Li2 Li2 71.1(2) 2_577 2_577
C7 Li2 Li2 73.1(2) . 2_577
C2 Li2 Li2 90.8(3) . 2_577
C4 Li2 Li2 83.4(2) 2_577 2_577
C18 O1 C15 109.4(2) . .
C18 O1 Li1 121.5(2) . .
C15 O1 Li1 128.09(18) . .
C22 O2 C19 108.48(19) . .
C22 O2 Li1 126.9(2) . .
C19 O2 Li1 120.6(2) . .
C9 Si1 C4 113.19(12) . .
C9 Si1 C10 106.18(16) . .
C4 Si1 C10 111.36(12) . .
C9 Si1 C11 107.78(16) . .
C4 Si1 C11 111.06(12) . .
C10 Si1 C11 106.93(17) . .
C1 Si2 C12 112.76(12) . .
C1 Si2 C14 110.56(11) . .
C12 Si2 C14 107.03(13) . .
C1 Si2 C13 111.47(11) . .
C12 Si2 C13 108.20(15) . .
C14 Si2 C13 106.52(14) . .
C8 C1 C2 129.65(19) . .
C8 C1 Si2 117.62(16) . .
C2 C1 Si2 112.63(15) . .
C8 C1 Li2 68.8(2) . .
C2 C1 Li2 83.2(2) . .
Si2 C1 Li2 121.09(15) . .
C8 C1 Li1 96.51(15) . .
C2 C1 Li1 59.20(13) . .
Si2 C1 Li1 120.21(13) . .
Li2 C1 Li1 116.45(18) . .
C3 C2 C1 137.46(18) . .
C3 C2 Li1 68.79(15) . .
C1 C2 Li1 87.94(16) . .
C3 C2 Li2 99.08(17) . .
C1 C2 Li2 61.86(16) . .
Li1 C2 Li2 120.36(17) . .
C2 C3 C4 136.79(19) . .
C2 C3 Li1 74.70(16) . .
C4 C3 Li1 79.90(16) . .
C5 C4 C3 129.3(2) . .
C5 C4 Si1 113.07(15) . .
C3 C4 Si1 117.61(15) . .
C5 C4 Li1 94.06(15) . .
C3 C4 Li1 64.30(14) . .
Si1 C4 Li1 118.40(14) . .
C5 C4 Li2 58.94(17) . 2_577
C3 C4 Li2 100.24(16) . 2_577
Si1 C4 Li2 109.76(15) . 2_577
Li1 C4 Li2 131.26(18) . 2_577
C6 C5 C4 135.2(2) . .
C6 C5 Li2 80.7(2) . 2_577
C4 C5 Li2 87.1(2) . 2_577
C5 C6 C7 135.8(2) . .
C5 C6 Li2 64.11(18) . 2_577
C7 C6 Li2 110.52(18) . 2_577
C6 C7 C8 135.7(2) . .
C6 C7 Li2 102.25(18) . .
C8 C7 Li2 61.11(16) . .
C7 C8 C1 134.4(2) . .
C7 C8 Li2 84.10(19) . .
C1 C8 Li2 73.3(2) . .
O1 C15 C16 106.7(2) . .
C17' C16 C15 103.1(4) . .
C17' C16 C17 34.8(4) . .
C15 C16 C17 105.6(3) . .
C18 C17 C16 101.6(5) . .
C16 C17' C18 107.9(5) . .
O1 C18 C17 107.2(4) . .
O1 C18 C17' 102.7(4) . .
C17 C18 C17' 34.5(4) . .
C20' C19 O2 107.6(10) . .
C20' C19 C20 16.4(19) . .
O2 C19 C20 103.1(9) . .
C21 C20 C19 100.7(15) . .
C20 C21 C22 109.5(13) . .
C19 C20' C21' 104.2(16) . .
C22 C21' C20' 96.0(9) . .
O2 C22 C21 108.2(6) . .
O2 C22 C21' 104.1(5) . .
C21 C22 C21' 29.5(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Li1 O2 1.928(4) .
Li1 O1 1.953(4) .
Li1 C3 2.199(4) .
Li1 C2 2.275(4) .
Li1 C4 2.402(5) .
Li1 C1 2.647(5) .
Li2 C8 2.156(5) .
Li2 C5 2.181(5) 2_577
Li2 C1 2.214(5) .
Li2 C6 2.393(5) 2_577
Li2 C7 2.449(6) .
Li2 C2 2.494(6) .
Li2 C4 2.543(6) 2_577
Li2 Li2 2.842(9) 2_577
O1 C18 1.423(3) .
O1 C15 1.421(3) .
O2 C22 1.432(3) .
O2 C19 1.435(3) .
Si1 C9 1.857(3) .
Si1 C4 1.859(2) .
Si1 C10 1.868(3) .
Si1 C11 1.872(3) .
Si2 C1 1.856(2) .
Si2 C12 1.866(3) .
Si2 C14 1.874(3) .
Si2 C13 1.880(3) .
C1 C8 1.420(3) .
C1 C2 1.437(3) .
C2 C3 1.403(3) .
C3 C4 1.427(3) .
C4 C5 1.423(3) .
C4 Li2 2.543(6) 2_577
C5 C6 1.396(3) .
C5 Li2 2.181(5) 2_577
C6 C7 1.399(3) .
C6 Li2 2.393(5) 2_577
C7 C8 1.404(3) .
C15 C16 1.492(5) .
C16 C17' 1.372(9) .
C16 C17 1.548(9) .
C17 C18 1.472(8) .
C17' C18 1.519(9) .
C19 C20' 1.38(2) .
C19 C20 1.63(2) .
C20 C21 1.39(3) .
C21 C22 1.427(12) .
C20' C21' 1.59(2) .
C21' C22 1.506(11) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O2 Li1 O1 C18 34.7(3) . .
C3 Li1 O1 C18 -137.1(3) . .
C2 Li1 O1 C18 -175.6(3) . .
C4 Li1 O1 C18 -99.7(3) . .
C1 Li1 O1 C18 151.0(3) . .
O2 Li1 O1 C15 -157.8(2) . .
C3 Li1 O1 C15 30.3(4) . .
C2 Li1 O1 C15 -8.2(4) . .
C4 Li1 O1 C15 67.7(3) . .
C1 Li1 O1 C15 -41.5(4) . .
O1 Li1 O2 C22 -114.1(3) . .
C3 Li1 O2 C22 49.0(6) . .
C2 Li1 O2 C22 108.9(4) . .
C4 Li1 O2 C22 15.8(4) . .
C1 Li1 O2 C22 112.4(2) . .
O1 Li1 O2 C19 91.1(3) . .
C3 Li1 O2 C19 -105.9(5) . .
C2 Li1 O2 C19 -45.9(4) . .
C4 Li1 O2 C19 -139.0(2) . .
C1 Li1 O2 C19 -42.5(3) . .
C12 Si2 C1 C8 2.5(2) . .
C14 Si2 C1 C8 122.23(17) . .
C13 Si2 C1 C8 -119.48(19) . .
C12 Si2 C1 C2 179.07(16) . .
C14 Si2 C1 C2 -61.16(17) . .
C13 Si2 C1 C2 57.13(19) . .
C12 Si2 C1 Li2 83.2(3) . .
C14 Si2 C1 Li2 -157.0(2) . .
C13 Si2 C1 Li2 -38.7(3) . .
C12 Si2 C1 Li1 -114.45(17) . .
C14 Si2 C1 Li1 5.32(17) . .
C13 Si2 C1 Li1 123.61(16) . .
C5 Li2 C1 C8 136.9(7) 2_577 .
C6 Li2 C1 C8 -168.2(3) 2_577 .
C7 Li2 C1 C8 -23.36(13) . .
C2 Li2 C1 C8 -137.32(19) . .
C4 Li2 C1 C8 50.4(6) 2_577 .
Li2 Li2 C1 C8 -82.5(4) 2_577 .
C8 Li2 C1 C2 137.32(19) . .
C5 Li2 C1 C2 -85.8(7) 2_577 .
C6 Li2 C1 C2 -30.9(3) 2_577 .
C7 Li2 C1 C2 113.96(15) . .
C4 Li2 C1 C2 -172.3(6) 2_577 .
Li2 Li2 C1 C2 54.8(4) 2_577 .
C8 Li2 C1 Si2 -110.3(2) . .
C5 Li2 C1 Si2 26.6(8) 2_577 .
C6 Li2 C1 Si2 81.5(4) 2_577 .
C7 Li2 C1 Si2 -133.65(15) . .
C2 Li2 C1 Si2 112.39(19) . .
C4 Li2 C1 Si2 -59.9(7) 2_577 .
Li2 Li2 C1 Si2 167.2(3) 2_577 .
C8 Li2 C1 Li1 86.73(19) . .
C5 Li2 C1 Li1 -136.4(6) 2_577 .
C6 Li2 C1 Li1 -81.5(3) 2_577 .
C7 Li2 C1 Li1 63.37(19) . .
C2 Li2 C1 Li1 -50.59(16) . .
C4 Li2 C1 Li1 137.1(6) 2_577 .
Li2 Li2 C1 Li1 4.3(4) 2_577 .
O2 Li1 C1 C8 -42.8(2) . .
O1 Li1 C1 C8 -157.1(2) . .
C3 Li1 C1 C8 109.97(16) . .
C2 Li1 C1 C8 132.8(2) . .
C4 Li1 C1 C8 80.94(16) . .
O2 Li1 C1 C2 -175.6(2) . .
O1 Li1 C1 C2 70.0(2) . .
C3 Li1 C1 C2 -22.84(13) . .
C4 Li1 C1 C2 -51.88(14) . .
O2 Li1 C1 Si2 84.52(19) . .
O1 Li1 C1 Si2 -29.8(3) . .
C3 Li1 C1 Si2 -122.70(14) . .
C2 Li1 C1 Si2 -99.86(17) . .
C4 Li1 C1 Si2 -151.74(12) . .
O2 Li1 C1 Li2 -112.3(3) . .
O1 Li1 C1 Li2 133.3(3) . .
C3 Li1 C1 Li2 40.4(2) . .
C2 Li1 C1 Li2 63.3(2) . .
C4 Li1 C1 Li2 11.4(2) . .
C8 C1 C2 C3 -16.3(4) . .
Si2 C1 C2 C3 167.6(2) . .
Li2 C1 C2 C3 -71.4(3) . .
Li1 C1 C2 C3 54.9(2) . .
C8 C1 C2 Li1 -71.2(2) . .
Si2 C1 C2 Li1 112.71(15) . .
Li2 C1 C2 Li1 -126.36(18) . .
C8 C1 C2 Li2 55.2(2) . .
Si2 C1 C2 Li2 -120.92(18) . .
Li1 C1 C2 Li2 126.36(18) . .
O2 Li1 C2 C3 -137.4(3) . .
O1 Li1 C2 C3 89.1(2) . .
C4 Li1 C2 C3 -21.31(12) . .
C1 Li1 C2 C3 -143.60(19) . .
O2 Li1 C2 C1 6.2(3) . .
O1 Li1 C2 C1 -127.3(2) . .
C3 Li1 C2 C1 143.60(19) . .
C4 Li1 C2 C1 122.29(15) . .
O2 Li1 C2 Li2 -49.2(4) . .
O1 Li1 C2 Li2 177.3(2) . .
C3 Li1 C2 Li2 88.2(2) . .
C4 Li1 C2 Li2 66.91(19) . .
C1 Li1 C2 Li2 -55.38(19) . .
C8 Li2 C2 C3 112.66(16) . .
C5 Li2 C2 C3 -81.1(3) 2_577 .
C1 Li2 C2 C3 139.53(18) . .
C6 Li2 C2 C3 -62.3(2) 2_577 .
C7 Li2 C2 C3 81.39(16) . .
C4 Li2 C2 C3 -54.1(10) 2_577 .
Li2 Li2 C2 C3 8.5(3) 2_577 .
C8 Li2 C2 C1 -26.87(13) . .
C5 Li2 C2 C1 139.4(4) 2_577 .
C6 Li2 C2 C1 158.2(2) 2_577 .
C7 Li2 C2 C1 -58.14(15) . .
C4 Li2 C2 C1 166.4(10) 2_577 .
Li2 Li2 C2 C1 -131.1(3) 2_577 .
C8 Li2 C2 Li1 42.0(2) . .
C5 Li2 C2 Li1 -151.8(3) 2_577 .
C1 Li2 C2 Li1 68.9(2) . .
C6 Li2 C2 Li1 -133.0(2) 2_577 .
C7 Li2 C2 Li1 10.7(2) . .
C4 Li2 C2 Li1 -124.8(10) 2_577 .
Li2 Li2 C2 Li1 -62.2(3) 2_577 .
C1 C2 C3 C4 -5.2(4) . .
Li1 C2 C3 C4 56.2(3) . .
Li2 C2 C3 C4 -63.0(3) . .
C1 C2 C3 Li1 -61.3(3) . .
Li2 C2 C3 Li1 -119.15(18) . .
O2 Li1 C3 C2 93.2(5) . .
O1 Li1 C3 C2 -104.2(2) . .
C4 Li1 C3 C2 144.72(19) . .
C1 Li1 C3 C2 20.73(11) . .
O2 Li1 C3 C4 -51.5(5) . .
O1 Li1 C3 C4 111.1(2) . .
C2 Li1 C3 C4 -144.72(19) . .
C1 Li1 C3 C4 -123.99(14) . .
C2 C3 C4 C5 18.6(4) . .
Li1 C3 C4 C5 73.0(2) . .
C2 C3 C4 Si1 -164.6(2) . .
Li1 C3 C4 Si1 -110.12(16) . .
C2 C3 C4 Li1 -54.5(3) . .
C2 C3 C4 Li2 76.6(3) . 2_577
Li1 C3 C4 Li2 131.05(19) . 2_577
C9 Si1 C4 C5 -175.35(18) . .
C10 Si1 C4 C5 65.10(19) . .
C11 Si1 C4 C5 -54.0(2) . .
C9 Si1 C4 C3 7.3(2) . .
C10 Si1 C4 C3 -112.24(19) . .
C11 Si1 C4 C3 128.70(18) . .
C9 Si1 C4 Li1 -66.83(19) . .
C10 Si1 C4 Li1 173.63(17) . .
C11 Si1 C4 Li1 54.57(18) . .
C9 Si1 C4 Li2 120.9(2) . 2_577
C10 Si1 C4 Li2 1.4(2) . 2_577
C11 Si1 C4 Li2 -117.67(19) . 2_577
O2 Li1 C4 C5 22.1(3) . .
O1 Li1 C4 C5 144.8(2) . .
C3 Li1 C4 C5 -132.06(19) . .
C2 Li1 C4 C5 -110.37(16) . .
C1 Li1 C4 C5 -83.04(15) . .
O2 Li1 C4 C3 154.2(3) . .
O1 Li1 C4 C3 -83.2(2) . .
C2 Li1 C4 C3 21.69(12) . .
C1 Li1 C4 C3 49.01(13) . .
O2 Li1 C4 Si1 -96.9(2) . .
O1 Li1 C4 Si1 25.8(2) . .
C3 Li1 C4 Si1 108.93(17) . .
C2 Li1 C4 Si1 130.63(13) . .
C1 Li1 C4 Si1 157.95(11) . .
O2 Li1 C4 Li2 73.4(3) . 2_577
O1 Li1 C4 Li2 -164.0(2) . 2_577
C3 Li1 C4 Li2 -80.8(2) . 2_577
C2 Li1 C4 Li2 -59.1(2) . 2_577
C1 Li1 C4 Li2 -31.8(2) . 2_577
C3 C4 C5 C6 3.3(4) . .
Si1 C4 C5 C6 -173.6(2) . .
Li1 C4 C5 C6 63.1(3) . .
Li2 C4 C5 C6 -73.7(3) 2_577 .
C3 C4 C5 Li2 77.0(2) . 2_577
Si1 C4 C5 Li2 -99.93(17) . 2_577
Li1 C4 C5 Li2 136.81(18) . 2_577
C4 C5 C6 C7 -17.2(4) . .
Li2 C5 C6 C7 -93.4(3) 2_577 .
C4 C5 C6 Li2 76.2(3) . 2_577
C5 C6 C7 C8 -4.2(4) . .
Li2 C6 C7 C8 -77.7(3) 2_577 .
C5 C6 C7 Li2 56.8(3) . .
Li2 C6 C7 Li2 -16.7(3) 2_577 .
C8 Li2 C7 C6 -135.8(2) . .
C5 Li2 C7 C6 82.9(4) 2_577 .
C1 Li2 C7 C6 -110.49(18) . .
C6 Li2 C7 C6 26.9(5) 2_577 .
C2 Li2 C7 C6 -78.79(17) . .
C4 Li2 C7 C6 92.0(2) 2_577 .
Li2 Li2 C7 C6 13.7(3) 2_577 .
C5 Li2 C7 C8 -141.4(4) 2_577 .
C1 Li2 C7 C8 25.27(13) . .
C6 Li2 C7 C8 162.6(5) 2_577 .
C2 Li2 C7 C8 56.96(16) . .
C4 Li2 C7 C8 -132.2(2) 2_577 .
Li2 Li2 C7 C8 149.5(3) 2_577 .
C6 C7 C8 C1 17.8(4) . .
Li2 C7 C8 C1 -59.6(3) . .
C6 C7 C8 Li2 77.4(3) . .
C2 C1 C8 C7 2.6(4) . .
Si2 C1 C8 C7 178.6(2) . .
Li2 C1 C8 C7 63.6(3) . .
Li1 C1 C8 C7 -52.3(3) . .
C2 C1 C8 Li2 -61.0(3) . .
Si2 C1 C8 Li2 114.97(19) . .
Li1 C1 C8 Li2 -115.89(18) . .
C5 Li2 C8 C7 88.5(7) 2_577 .
C1 Li2 C8 C7 -140.0(2) . .
C6 Li2 C8 C7 -86.7(16) 2_577 .
C2 Li2 C8 C7 -115.09(16) . .
C4 Li2 C8 C7 61.4(3) 2_577 .
Li2 Li2 C8 C7 -30.0(3) 2_577 .
C5 Li2 C8 C1 -131.6(7) 2_577 .
C6 Li2 C8 C1 53.3(16) 2_577 .
C7 Li2 C8 C1 140.0(2) . .
C2 Li2 C8 C1 24.90(12) . .
C4 Li2 C8 C1 -158.6(3) 2_577 .
Li2 Li2 C8 C1 110.0(3) 2_577 .
C18 O1 C15 C16 11.1(4) . .
Li1 O1 C15 C16 -157.6(3) . .
O1 C15 C16 C17' -27.2(6) . .
O1 C15 C16 C17 8.6(6) . .
C17' C16 C17 C18 66.6(8) . .
C15 C16 C17 C18 -23.9(7) . .
C15 C16 C17' C18 32.3(7) . .
C17 C16 C17' C18 -66.3(8) . .
C15 O1 C18 C17 -27.6(5) . .
Li1 O1 C18 C17 141.9(4) . .
C15 O1 C18 C17' 7.8(5) . .
Li1 O1 C18 C17' 177.4(4) . .
C16 C17 C18 O1 31.1(6) . .
C16 C17 C18 C17' -56.6(7) . .
C16 C17' C18 O1 -26.1(7) . .
C16 C17' C18 C17 75.8(9) . .
C22 O2 C19 C20' 1.3(12) . .
Li1 O2 C19 C20' 160.4(12) . .
C22 O2 C19 C20 -15.0(10) . .
Li1 O2 C19 C20 144.0(10) . .
C20' C19 C20 C21 -80(7) . .
O2 C19 C20 C21 28.2(17) . .
C19 C20 C21 C22 -31.4(18) . .
O2 C19 C20' C21' -27.6(17) . .
C20 C19 C20' C21' 49(6) . .
C19 C20' C21' C22 41.7(16) . .
C19 O2 C22 C21 -3.3(8) . .
Li1 O2 C22 C21 -160.6(7) . .
C19 O2 C22 C21' 27.2(4) . .
Li1 O2 C22 C21' -130.2(4) . .
C20 C21 C22 O2 24.1(15) . .
C20 C21 C22 C21' -62.4(17) . .
C20' C21' C22 O2 -40.0(12) . .
C20' C21' C22 C21 62.2(19) . .
