#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:34:58 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179252 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/72/4317226.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_4317226
loop_
_publ_author_name
'Andrew R. Shaffer'
'Nihal Deligonul'
'Daniel A. Scherson'
'John D. Protasiewicz'
_publ_section_title
;
 A Hybrid Lithium Oxalate-Phosphinate Salt
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10756
_journal_page_last               10758
_journal_paper_doi               10.1021/ic1018532
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C68 H72 B2 Li2 O20 P4'
_chemical_formula_sum            'C68 H72 B2 Li2 O20 P4'
_chemical_formula_weight         1368.64
_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                106.611(2)
_cell_angle_beta                 97.425(2)
_cell_angle_gamma                106.470(2)
_cell_formula_units_Z            1
_cell_length_a                   11.8482(18)
_cell_length_b                   12.6011(19)
_cell_length_c                   13.003(2)
_cell_measurement_reflns_used    8185
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      27.92
_cell_measurement_theta_min      2.56
_cell_volume                     1736.7(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'Bruker AXS APEX II CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0205
_diffrn_reflns_av_sigmaI/netI    0.0251
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            21574
_diffrn_reflns_theta_full        28.22
_diffrn_reflns_theta_max         28.22
_diffrn_reflns_theta_min         1.68
_diffrn_standards_decay_%        none
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.181
_exptl_absorpt_correction_T_max  0.9694
_exptl_absorpt_correction_T_min  0.9478
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'AXScale in APEX II ( Bruker, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.309
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             716
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.838
_refine_diff_density_min         -0.375
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         8248
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0563
_refine_ls_R_factor_gt           0.0454
_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)+(0.0710P)²+0.6884P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1241
_refine_ls_wR_factor_ref         0.1334
_reflns_number_gt                6735
_reflns_number_total             8248
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1018532_si_002.cif
_cod_data_source_block           nd102909_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' 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        1736.6(5)
_cod_database_code               4317226
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
P1 P 0.63947(4) 0.35770(4) 0.40164(3) 0.02484(11) Uani 1 1 d . . .
P2 P 0.82190(4) 0.65588(4) 0.70197(3) 0.02678(11) Uani 1 1 d . . .
O6 O 0.93998(10) 0.40668(10) 0.58933(10) 0.0306(3) Uani 1 1 d . . .
O3 O 0.56406(10) 0.42359(10) 0.45517(9) 0.0290(2) Uani 1 1 d . . .
O1 O 0.77450(10) 0.40310(10) 0.46188(9) 0.0295(2) Uani 1 1 d . . .
O5 O 0.75450(10) 0.38877(10) 0.64198(10) 0.0313(3) Uani 1 1 d . . .
C26 C 0.80816(17) 0.32795(16) 0.68647(15) 0.0379(4) Uani 1 1 d . . .
C1 C 0.64494(15) 0.36709(15) 0.26734(13) 0.0305(3) Uani 1 1 d . . .
O8 O 0.99975(15) 0.29378(14) 0.67477(13) 0.0536(4) Uani 1 1 d . . .
O7 O 0.77033(15) 0.27453(15) 0.74465(14) 0.0603(4) Uani 1 1 d . . .
O4 O 0.68903(11) 0.62646(11) 0.68243(11) 0.0374(3) Uani 1 1 d . . .
O2 O 0.87057(11) 0.57134(10) 0.62194(10) 0.0321(3) Uani 1 1 d . . .
B1 B 0.83299(15) 0.44508(16) 0.57796(14) 0.0252(3) Uani 1 1 d . . .
C19 C 0.88097(15) 0.66360(15) 0.83906(14) 0.0311(3) Uani 1 1 d . . .
C7 C 0.58062(16) 0.20545(15) 0.38627(14) 0.0323(4) Uani 1 1 d . . .
C13 C 0.89339(15) 0.79416(14) 0.68606(14) 0.0314(3) Uani 1 1 d . . .
C25 C 0.92833(17) 0.33866(16) 0.65064(15) 0.0358(4) Uani 1 1 d . . .
C6 C 0.74860(18) 0.43482(18) 0.24773(16) 0.0423(4) Uani 1 1 d . . .
H6 H 0.8199 0.4746 0.3049 0.051 Uiso 1 1 calc R . .
C15 C 0.9212(2) 1.00063(18) 0.7363(2) 0.0563(6) Uani 1 1 d . . .
H15 H 0.9064 1.0679 0.7796 0.068 Uiso 1 1 calc R . .
C12 C 0.45667(18) 0.14969(17) 0.36736(17) 0.0420(4) Uani 1 1 d . . .
H12 H 0.4033 0.1933 0.3658 0.050 Uiso 1 1 calc R . .
C20 C 0.8117(2) 0.6766(2) 0.91653(18) 0.0514(5) Uani 1 1 d . . .
H20 H 0.7325 0.6784 0.8963 0.062 Uiso 1 1 calc R . .
C14 C 0.87183(18) 0.89314(17) 0.74931(18) 0.0439(4) Uani 1 1 d . . .
H14 H 0.8232 0.8867 0.8014 0.053 Uiso 1 1 calc R . .
C2 C 0.54063(18) 0.30965(19) 0.18289(15) 0.0435(4) Uani 1 1 d . . .
H2 H 0.4687 0.2644 0.1964 0.052 Uiso 1 1 calc R . .
C8 C 0.6579(2) 0.14042(18) 0.3887(2) 0.0500(5) Uani 1 1 d . . .
H8 H 0.7426 0.1775 0.4007 0.060 Uiso 1 1 calc R . .
C18 C 0.96431(19) 0.80439(18) 0.60973(17) 0.0434(4) Uani 1 1 d . . .
H18 H 0.9797 0.7376 0.5662 0.052 Uiso 1 1 calc R . .
C3 C 0.5419(2) 0.3186(2) 0.07949(17) 0.0582(6) Uani 1 1 d . . .
H3 H 0.4712 0.2785 0.0216 0.070 Uiso 1 1 calc R . .
C5 C 0.7478(2) 0.4442(2) 0.14399(19) 0.0553(6) Uani 1 1 d . . .
H5 H 0.8186 0.4916 0.1307 0.066 Uiso 1 1 calc R . .
C4 C 0.6458(2) 0.3859(2) 0.06028(18) 0.0597(6) Uani 1 1 d . . .
H4 H 0.6467 0.3919 -0.0108 0.072 Uiso 1 1 calc R . .
C16 C 0.9915(2) 1.0108(2) 0.6612(2) 0.0604(6) Uani 1 1 d . . .
H16 H 1.0255 1.0850 0.6530 0.073 Uiso 1 1 calc R . .
C24 C 0.9950(2) 0.6587(2) 0.87017(18) 0.0533(6) Uani 1 1 d . . .
H24 H 1.0431 0.6481 0.8176 0.064 Uiso 1 1 calc R . .
C17 C 1.0126(2) 0.9136(2) 0.5978(2) 0.0583(6) Uani 1 1 d . . .
H17 H 1.0606 0.9210 0.5454 0.070 Uiso 1 1 calc R . .
C22 C 0.9708(3) 0.6837(2) 1.05412(18) 0.0597(6) Uani 1 1 d . . .
H22 H 1.0020 0.6916 1.1280 0.072 Uiso 1 1 calc R . .
C23 C 1.0393(2) 0.6692(3) 0.9782(2) 0.0660(7) Uani 1 1 d . . .
H23 H 1.1178 0.6663 0.9993 0.079 Uiso 1 1 calc R . .
C21 C 0.8582(3) 0.6869(3) 1.0243(2) 0.0676(7) Uani 1 1 d . . .
H21 H 0.8106 0.6962 1.0774 0.081 Uiso 1 1 calc R . .
C11 C 0.4110(2) 0.0300(2) 0.3507(2) 0.0603(6) Uani 1 1 d . . .
H11 H 0.3262 -0.0082 0.3372 0.072 Uiso 1 1 calc R . .
C9 C 0.6108(3) 0.0217(2) 0.3737(3) 0.0745(8) Uani 1 1 d . . .
H9 H 0.6636 -0.0223 0.3771 0.089 Uiso 1 1 calc R . .
C10 C 0.4877(3) -0.0329(2) 0.3537(3) 0.0744(8) Uani 1 1 d . . .
H10 H 0.4559 -0.1147 0.3419 0.089 Uiso 1 1 calc R . .
Li1 Li 0.5471(2) 0.5055(2) 0.6002(2) 0.0292(6) Uani 1 1 d . . .
C29 C 0.4002(3) 0.3021(3) 0.7894(3) 0.0729(8) Uani 1 1 d . . .
H29A H 0.4199 0.2327 0.7960 0.087 Uiso 1 1 calc R . .
H29B H 0.3822 0.3425 0.8594 0.087 Uiso 1 1 calc R . .
C28 C 0.2969(2) 0.2665(2) 0.6967(3) 0.0742(8) Uani 1 1 d . . .
H28A H 0.2379 0.3055 0.7191 0.089 Uiso 1 1 calc R . .
H28B H 0.2558 0.1802 0.6702 0.089 Uiso 1 1 calc R . .
C27 C 0.3486(3) 0.3045(3) 0.6084(2) 0.0809(9) Uani 1 1 d . . .
H27A H 0.3635 0.2387 0.5555 0.097 Uiso 1 1 calc R . .
H27B H 0.2925 0.3316 0.5676 0.097 Uiso 1 1 calc R . .
C30 C 0.5016(2) 0.3826(3) 0.7645(2) 0.0652(7) Uani 1 1 d . . .
H30A H 0.5337 0.4595 0.8251 0.078 Uiso 1 1 calc R . .
H30B H 0.5676 0.3493 0.7571 0.078 Uiso 1 1 calc R . .
O9 O 0.45853(13) 0.39788(13) 0.66418(12) 0.0466(3) Uani 1 1 d . . .
C34 C 0.6638(4) 0.0092(4) -0.0343(3) 0.1168(15) Uani 1 1 d . . .
H34A H 0.5761 -0.0326 -0.0654 0.140 Uiso 1 1 calc R . .
H34B H 0.6931 0.0654 -0.0728 0.140 Uiso 1 1 calc R . .
C32 C 0.7888(4) 0.0419(5) 0.1328(3) 0.1200(16) Uani 1 1 d . . .
H32A H 0.8546 0.1142 0.1816 0.144 Uiso 1 1 calc R . .
H32B H 0.7618 -0.0094 0.1763 0.144 Uiso 1 1 calc R . .
C31 C 0.8281(4) -0.0160(4) 0.0446(3) 0.1309(19) Uani 1 1 d . . .
H31A H 0.8582 -0.0763 0.0614 0.157 Uiso 1 1 calc R . .
H31B H 0.8941 0.0402 0.0278 0.157 Uiso 1 1 calc R . .
C33 C 0.6870(4) 0.0714(5) 0.0844(4) 0.149(2) Uani 1 1 d . . .
H33A H 0.6150 0.0440 0.1134 0.179 Uiso 1 1 calc R . .
H33B H 0.7092 0.1574 0.1006 0.179 Uiso 1 1 calc R . .
O10 O 0.7255(2) -0.0699(3) -0.0463(2) 0.1220(11) Uani 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'
B B 0.0013 0.0007 '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'
P P 0.1023 0.0942 '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
O3 P1 O1 115.48(7) . . ?
O3 P1 C7 111.17(8) . . ?
O1 P1 C7 107.05(7) . . ?
O3 P1 C1 111.45(7) . . ?
O1 P1 C1 103.48(7) . . ?
C7 P1 C1 107.66(8) . . ?
O4 P2 O2 116.95(7) . . ?
O4 P2 C13 111.44(8) . . ?
O2 P2 C13 102.36(8) . . ?
O4 P2 C19 109.63(8) . . ?
O2 P2 C19 107.23(8) . . ?
C13 P2 C19 108.77(8) . . ?
C25 O6 B1 109.86(13) . . ?
P1 O3 Li1 140.77(11) . . ?
P1 O3 Li1 132.73(11) . 2_666 ?
Li1 O3 Li1 85.47(12) . 2_666 ?
B1 O1 P1 131.66(10) . . ?
C26 O5 B1 109.51(13) . . ?
O7 C26 O5 126.31(19) . . ?
O7 C26 C25 125.84(18) . . ?
O5 C26 C25 107.84(15) . . ?
C6 C1 C2 119.71(17) . . ?
C6 C1 P1 121.18(14) . . ?
C2 C1 P1 119.03(14) . . ?
P2 O4 Li1 140.82(12) . . ?
B1 O2 P2 131.89(11) . . ?
O2 B1 O1 110.28(13) . . ?
O2 B1 O6 109.76(13) . . ?
O1 B1 O6 108.32(13) . . ?
O2 B1 O5 111.89(13) . . ?
O1 B1 O5 111.77(13) . . ?
O6 B1 O5 104.60(12) . . ?
C20 C19 C24 118.84(18) . . ?
C20 C19 P2 119.33(15) . . ?
C24 C19 P2 121.82(14) . . ?
C12 C7 C8 119.39(17) . . ?
C12 C7 P1 120.16(14) . . ?
C8 C7 P1 120.40(15) . . ?
C18 C13 C14 119.53(18) . . ?
C18 C13 P2 122.22(14) . . ?
C14 C13 P2 118.19(15) . . ?
O8 C25 O6 125.80(18) . . ?
O8 C25 C26 126.04(18) . . ?
O6 C25 C26 108.17(14) . . ?
C1 C6 C5 119.55(19) . . ?
C1 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
C16 C15 C14 120.4(2) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C7 C12 C11 119.9(2) . . ?
C7 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C19 C20 C21 119.9(2) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 H20 120.1 . . ?
C15 C14 C13 120.1(2) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C3 C2 C1 120.0(2) . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
C9 C8 C7 119.9(2) . . ?
C9 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C13 C18 C17 119.3(2) . . ?
C13 C18 H18 120.3 . . ?
C17 C18 H18 120.3 . . ?
C4 C3 C2 120.0(2) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C4 C5 C6 120.7(2) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C5 C4 C3 120.0(2) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C15 C16 C17 120.0(2) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C19 C24 C23 120.1(2) . . ?
C19 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C16 C17 C18 120.6(2) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C21 C22 C23 120.0(2) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C22 C23 C24 120.5(2) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C22 C21 C20 120.7(2) . . ?
C22 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C10 C11 C12 120.2(2) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C10 C9 C8 120.2(2) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C11 C10 C9 120.4(2) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
O4 Li1 O9 120.75(15) . . ?
O4 Li1 O3 111.65(15) . . ?
O9 Li1 O3 111.58(15) . . ?
O4 Li1 O3 107.63(15) . 2_666 ?
O9 Li1 O3 107.23(14) . 2_666 ?
O3 Li1 O3 94.53(12) . 2_666 ?
O4 Li1 Li1 119.65(18) . 2_666 ?
O9 Li1 Li1 119.27(18) . 2_666 ?
O3 Li1 Li1 47.57(9) . 2_666 ?
O3 Li1 Li1 46.95(9) 2_666 2_666 ?
C28 C29 C30 105.7(2) . . ?
C28 C29 H29A 110.6 . . ?
C30 C29 H29A 110.6 . . ?
C28 C29 H29B 110.6 . . ?
C30 C29 H29B 110.6 . . ?
H29A C29 H29B 108.7 . . ?
C29 C28 C27 105.7(2) . . ?
C29 C28 H28A 110.6 . . ?
C27 C28 H28A 110.6 . . ?
C29 C28 H28B 110.6 . . ?
C27 C28 H28B 110.6 . . ?
H28A C28 H28B 108.7 . . ?
O9 C27 C28 105.5(2) . . ?
O9 C27 H27A 110.6 . . ?
C28 C27 H27A 110.6 . . ?
O9 C27 H27B 110.6 . . ?
C28 C27 H27B 110.6 . . ?
H27A C27 H27B 108.8 . . ?
O9 C30 C29 108.4(2) . . ?
O9 C30 H30A 110.0 . . ?
C29 C30 H30A 110.0 . . ?
O9 C30 H30B 110.0 . . ?
C29 C30 H30B 110.0 . . ?
H30A C30 H30B 108.4 . . ?
C27 O9 C30 107.92(19) . . ?
C27 O9 Li1 124.62(17) . . ?
C30 O9 Li1 126.38(16) . . ?
O10 C34 C33 106.4(3) . . ?
O10 C34 H34A 110.4 . . ?
C33 C34 H34A 110.4 . . ?
O10 C34 H34B 110.4 . . ?
C33 C34 H34B 110.4 . . ?
H34A C34 H34B 108.6 . . ?
C31 C32 C33 105.9(3) . . ?
C31 C32 H32A 110.5 . . ?
C33 C32 H32A 110.5 . . ?
C31 C32 H32B 110.5 . . ?
C33 C32 H32B 110.5 . . ?
H32A C32 H32B 108.7 . . ?
C32 C31 O10 106.0(3) . . ?
C32 C31 H31A 110.5 . . ?
O10 C31 H31A 110.5 . . ?
C32 C31 H31B 110.5 . . ?
O10 C31 H31B 110.5 . . ?
H31A C31 H31B 108.7 . . ?
C34 C33 C32 104.2(3) . . ?
C34 C33 H33A 110.9 . . ?
C32 C33 H33A 110.9 . . ?
C34 C33 H33B 110.9 . . ?
C32 C33 H33B 110.9 . . ?
H33A C33 H33B 108.9 . . ?
C34 O10 C31 105.0(3) . . ?
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
P1 O3 1.4910(11) . ?
P1 O1 1.5496(12) . ?
P1 C7 1.7869(18) . ?
P1 C1 1.7918(17) . ?
P2 O4 1.4806(13) . ?
P2 O2 1.5556(12) . ?
P2 C13 1.7919(18) . ?
P2 C19 1.7934(17) . ?
O6 C25 1.320(2) . ?
O6 B1 1.484(2) . ?
O3 Li1 1.940(3) . ?
O3 Li1 1.960(3) 2_666 ?
O1 B1 1.450(2) . ?
O5 C26 1.327(2) . ?
O5 B1 1.492(2) . ?
C26 O7 1.197(2) . ?
C26 C25 1.537(3) . ?
C1 C6 1.383(3) . ?
C1 C2 1.395(3) . ?
O8 C25 1.199(2) . ?
O4 Li1 1.856(3) . ?
O2 B1 1.438(2) . ?
C19 C20 1.382(3) . ?
C19 C24 1.383(3) . ?
C7 C12 1.391(3) . ?
C7 C8 1.394(3) . ?
C13 C18 1.391(3) . ?
C13 C14 1.395(3) . ?
C6 C5 1.387(3) . ?
C6 H6 0.9500 . ?
C15 C16 1.373(4) . ?
C15 C14 1.383(3) . ?
C15 H15 0.9500 . ?
C12 C11 1.391(3) . ?
C12 H12 0.9500 . ?
C20 C21 1.393(3) . ?
C20 H20 0.9500 . ?
C14 H14 0.9500 . ?
C2 C3 1.383(3) . ?
C2 H2 0.9500 . ?
C8 C9 1.385(3) . ?
C8 H8 0.9500 . ?
C18 C17 1.394(3) . ?
C18 H18 0.9500 . ?
C3 C4 1.381(4) . ?
C3 H3 0.9500 . ?
C5 C4 1.373(3) . ?
C5 H5 0.9500 . ?
C4 H4 0.9500 . ?
C16 C17 1.376(4) . ?
C16 H16 0.9500 . ?
C24 C23 1.389(3) . ?
C24 H24 0.9500 . ?
C17 H17 0.9500 . ?
C22 C21 1.355(4) . ?
C22 C23 1.361(4) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C21 H21 0.9500 . ?
C11 C10 1.368(4) . ?
C11 H11 0.9500 . ?
C9 C10 1.378(4) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
Li1 O9 1.923(3) . ?
Li1 O3 1.960(3) 2_666 ?
Li1 Li1 2.646(5) 2_666 ?
C29 C28 1.466(4) . ?
C29 C30 1.475(3) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C28 C27 1.502(4) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C27 O9 1.416(3) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C30 O9 1.424(3) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C34 O10 1.381(4) . ?
C34 C33 1.466(5) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C32 C31 1.384(5) . ?
C32 C33 1.477(5) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C31 O10 1.427(4) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
