#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:31:56 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178655 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/66/4076654.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_4076654
loop_
_publ_author_name
'Flint, Bruce'
'Li, Jian-Jun'
'Sharp, Paul R.'
_publ_section_title
;
 Water-Promoted Reaction of a Platinum(II) Oxo Complex with
 Ethylene†
;
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              997
_journal_paper_doi               10.1021/om010868d
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'C72 H88 F6 Li2 O14 P4 Pt2 S2'
_chemical_formula_weight         1883.48
_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                100.512(3)
_cell_angle_beta                 106.577(3)
_cell_angle_gamma                111.330(3)
_cell_formula_units_Z            1
_cell_length_a                   10.507(2)
_cell_length_b                   13.627(3)
_cell_length_c                   15.891(3)
_cell_measurement_temperature    173(2)
_cell_volume                     1924.1(7)
_computing_cell_refinement       'SMART (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics
;
  ORTEP (Johnson, 1976), ORTEP 3 for Windows
  L. J. Farrugia, 1997'
;
_computing_publication_material  'CIFTAB (Sheldrick, 1997)'
_computing_structure_refinement
;
  SHELXL-97 (Sheldrick, 1997), L. J. Barbour, X-Seed - Graphical Interface to
  SHELX-97 and POV-Ray, 1999
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  '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  0.0312
_diffrn_reflns_av_sigmaI/netI    0.0398
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15457
_diffrn_reflns_theta_full        27.13
_diffrn_reflns_theta_max         27.13
_diffrn_reflns_theta_min         1.41
_exptl_absorpt_coefficient_mu    3.844
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.646
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.626
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             940
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         4.280
_refine_diff_density_min         -1.032
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         8358
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0498
_refine_ls_R_factor_gt           0.0417
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0768P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1061
_refine_ls_wR_factor_ref         0.1110
_reflns_number_gt                7196
_reflns_number_total             8358
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om010868d.cif
_cod_data_source_block           '[(dppp)Pt(OH)2(Li)(THF)]2[OTf]2'
_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 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1924.0(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4076654
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
Pt1 Pt 0.882642(19) 0.469742(16) 0.291565(11) 0.03473(8) Uani 1 1 d D . .
S1 S 0.2566(4) 0.2165(3) -0.1644(3) 0.0463(7) Uani 0.50 1 d PD A 4
P1 P 0.93278(15) 0.47233(12) 0.16546(9) 0.0359(3) Uani 1 1 d . . .
F1 F -0.0291(12) 0.1014(11) -0.2338(10) 0.124(6) Uani 0.50 1 d PD A 4
O1 O 1.1001(4) 0.5438(4) 0.3783(3) 0.0418(9) Uani 1 1 d D . .
C1 C 0.8058(6) 0.4898(5) 0.0709(4) 0.0427(12) Uani 1 1 d . . .
H1A H 0.8156 0.5663 0.0909 0.051 Uiso 1 1 calc R . .
H1B H 0.8365 0.4825 0.0176 0.051 Uiso 1 1 calc R . .
Li1 Li 1.0746(11) 0.5901(9) 0.4895(7) 0.047(2) Uani 1 1 d . . .
H1 H 1.150(7) 0.571(6) 0.364(5) 0.06(3) Uiso 1 1 d D . .
O5" O 0.016(2) 0.121(2) -0.2791(13) 0.125(7) Uani 0.50 1 d P A 3
P2 P 0.63943(15) 0.38614(12) 0.21027(9) 0.0382(3) Uani 1 1 d . . .
F2 F 0.0842(14) 0.0127(9) -0.2768(9) 0.137(6) Uani 0.50 1 d PD A 4
O2 O 0.8629(4) 0.4729(4) 0.4179(2) 0.0413(8) Uani 1 1 d D . .
C2 C 0.6425(6) 0.4080(5) 0.0379(4) 0.0473(13) Uani 1 1 d . . .
H2A H 0.6329 0.3312 0.0240 0.057 Uiso 1 1 calc R . .
H2B H 0.5861 0.4154 -0.0203 0.057 Uiso 1 1 calc R . .
H2 H 0.807(8) 0.480(8) 0.422(5) 0.10(4) Uiso 1 1 d D . .
F3 F 0.1068(14) 0.0469(9) -0.1412(9) 0.254(7) Uani 1 1 d D . .
O3 O 1.0806(6) 0.7355(4) 0.5256(4) 0.0735(14) Uani 1 1 d . . .
C3 C 0.5747(6) 0.4268(5) 0.1093(4) 0.0445(12) Uani 1 1 d . . .
H3A H 0.4658 0.3841 0.0788 0.053 Uiso 1 1 calc R . .
H3B H 0.5982 0.5066 0.1303 0.053 Uiso 1 1 calc R . .
O4 O 0.2352(10) 0.2613(9) -0.0818(5) 0.157(4) Uani 1 1 d D . .
C4 C 0.9542(6) 0.3500(4) 0.1175(3) 0.0390(11) Uani 1 1 d . . .
O5 O 0.2520(11) 0.2747(7) -0.2284(6) 0.151(4) Uani 1 1 d D . .
C5 C 1.0094(9) 0.3008(6) 0.1785(5) 0.0608(17) Uani 1 1 d . . .
H5 H 1.0258 0.3267 0.2422 0.073 Uiso 1 1 calc R . .
O6 O 0.3740(6) 0.1780(6) -0.1308(6) 0.129(3) Uani 1 1 d D . .
C6 C 1.0405(9) 0.2143(6) 0.1467(5) 0.0700(19) Uani 1 1 d . . .
H6 H 1.0786 0.1813 0.1890 0.084 Uiso 1 1 calc R . .
O7 O 1.4365(13) 0.7930(9) 0.4756(11) 0.191(5) Uani 1 1 d D . .
C7 C 1.0176(8) 0.1756(6) 0.0563(5) 0.0636(17) Uani 1 1 d . . .
H7 H 1.0401 0.1164 0.0355 0.076 Uiso 1 1 calc R . .
C8 C 0.9615(8) 0.2227(6) -0.0055(5) 0.0659(18) Uani 1 1 d . . .
H8 H 0.9450 0.1955 -0.0690 0.079 Uiso 1 1 calc R . .
C9 C 0.9288(7) 0.3101(5) 0.0243(4) 0.0527(14) Uani 1 1 d . . .
H9 H 0.8895 0.3420 -0.0185 0.063 Uiso 1 1 calc R . .
C10 C 1.1098(6) 0.5895(5) 0.1902(3) 0.0413(11) Uani 1 1 d . . .
C11 C 1.1220(7) 0.6975(5) 0.2201(4) 0.0519(14) Uani 1 1 d . . .
H11 H 1.0415 0.7082 0.2286 0.062 Uiso 1 1 calc R . .
C12 C 1.2525(8) 0.7879(6) 0.2368(5) 0.0633(17) Uani 1 1 d . . .
H12 H 1.2608 0.8610 0.2557 0.076 Uiso 1 1 calc R . .
C13 C 1.3697(8) 0.7730(6) 0.2264(5) 0.0634(17) Uani 1 1 d . . .
H13 H 1.4592 0.8358 0.2387 0.076 Uiso 1 1 calc R . .
C14 C 1.3585(7) 0.6675(6) 0.1983(4) 0.0582(16) Uani 1 1 d . . .
H14 H 1.4404 0.6581 0.1910 0.070 Uiso 1 1 calc R . .
C15 C 1.2297(6) 0.5751(5) 0.1804(4) 0.0453(12) Uani 1 1 d . . .
H15 H 1.2232 0.5025 0.1616 0.054 Uiso 1 1 calc R . .
C16 C 0.5626(6) 0.2358(5) 0.1690(4) 0.0465(12) Uani 1 1 d . . .
C17 C 0.6393(9) 0.1839(7) 0.2099(7) 0.093(3) Uani 1 1 d . . .
H17 H 0.7317 0.2271 0.2606 0.111 Uiso 1 1 calc R . .
C18 C 0.5850(11) 0.0689(8) 0.1788(9) 0.115(4) Uani 1 1 d . . .
H18 H 0.6417 0.0344 0.2070 0.138 Uiso 1 1 calc R . .
C19 C 0.4529(11) 0.0065(7) 0.1092(7) 0.087(2) Uani 1 1 d . . .
H19 H 0.4142 -0.0723 0.0900 0.105 Uiso 1 1 calc R . .
C20 C 0.3752(10) 0.0545(7) 0.0668(6) 0.090(3) Uani 1 1 d . . .
H20 H 0.2836 0.0098 0.0157 0.108 Uiso 1 1 calc R . .
C21 C 0.4280(9) 0.1708(7) 0.0971(6) 0.082(3) Uani 1 1 d . . .
H21 H 0.3707 0.2042 0.0679 0.099 Uiso 1 1 calc R . .
C22 C 0.5398(6) 0.4194(5) 0.2795(4) 0.0478(13) Uani 1 1 d . . .
C23 C 0.5685(9) 0.5286(7) 0.3138(5) 0.0677(19) Uani 1 1 d . . .
H23 H 0.6381 0.5845 0.3005 0.081 Uiso 1 1 calc R . .
C24 C 0.4973(11) 0.5579(9) 0.3675(6) 0.086(3) Uani 1 1 d . . .
H24 H 0.5192 0.6338 0.3916 0.103 Uiso 1 1 calc R . .
C25 C 0.3977(10) 0.4801(11) 0.3858(6) 0.097(3) Uani 1 1 d . . .
H25 H 0.3475 0.5007 0.4216 0.116 Uiso 1 1 calc R . .
C26 C 0.3677(11) 0.3711(11) 0.3533(7) 0.115(4) Uani 1 1 d . . .
H26 H 0.2976 0.3165 0.3673 0.137 Uiso 1 1 calc R . .
C27 C 0.4383(10) 0.3395(9) 0.3000(6) 0.091(3) Uani 1 1 d . . .
H27 H 0.4173 0.2634 0.2777 0.110 Uiso 1 1 calc R . .
C28 C 1.0541(18) 0.7889(10) 0.4575(9) 0.140(6) Uani 1 1 d . . .
H28A H 1.1485 0.8358 0.4540 0.168 Uiso 1 1 calc R . .
H28B H 0.9882 0.7326 0.3959 0.168 Uiso 1 1 calc R . .
C29 C 0.988(3) 0.8542(15) 0.4839(10) 0.204(10) Uani 1 1 d . . .
H29A H 0.9149 0.8549 0.4286 0.245 Uiso 1 1 calc R . .
H29B H 1.0629 0.9316 0.5197 0.245 Uiso 1 1 calc R . .
C30 C 0.9126(15) 0.8032(13) 0.5419(9) 0.138(5) Uani 1 1 d . . .
H30A H 0.9097 0.8600 0.5890 0.166 Uiso 1 1 calc R . .
H30B H 0.8105 0.7455 0.5035 0.166 Uiso 1 1 calc R . .
C31 C 1.0066(11) 0.7547(8) 0.5849(6) 0.086(3) Uani 1 1 d . . .
H31A H 1.0795 0.8063 0.6471 0.103 Uiso 1 1 calc R . .
H31B H 0.9458 0.6839 0.5917 0.103 Uiso 1 1 calc R . .
C32 C 0.0916(12) 0.0884(10) -0.2097(7) 0.056(3) Uani 0.50 1 d PD A 4
C33 C 1.432(2) 0.845(3) 0.5681(16) 0.16(3) Uani 0.34(6) 1 d PD B 2
H33C H 1.3885 0.8986 0.5631 0.191 Uiso 0.34(6) 1 calc PR B 2
H33D H 1.3758 0.7881 0.5911 0.191 Uiso 0.34(6) 1 calc PR B 2
C34 C 1.5961(16) 0.9042(13) 0.6295(10) 0.173(8) Uani 1 1 d D . .
H34A H 1.5769 0.9605 0.6658 0.208 Uiso 1 1 calc R B 1
H34B H 1.6653 0.8858 0.6730 0.208 Uiso 1 1 calc R B 1
C35 C 1.6568(13) 0.9454(10) 0.5684(10) 0.131(4) Uani 1 1 d D B .
H35A H 1.6570 1.0185 0.5701 0.157 Uiso 1 1 calc R . .
H35B H 1.7602 0.9555 0.5869 0.157 Uiso 1 1 calc R . .
C36 C 1.5722(13) 0.8702(11) 0.4796(9) 0.134(5) Uani 1 1 d D B .
H36A H 1.6272 0.8304 0.4612 0.160 Uiso 1 1 calc R . .
H36B H 1.5535 0.9108 0.4354 0.160 Uiso 1 1 calc R . .
S1' S 0.1889(6) 0.1764(5) -0.2386(5) 0.0991(16) Uani 0.50 1 d P A 3
O5' O 0.2461(19) 0.126(3) -0.2957(11) 0.227(16) Uani 0.50 1 d P A 3
C32' C 0.223(3) 0.142(4) -0.144(3) 0.22(2) Uani 0.50 1 d P A 3
C33' C 1.457(3) 0.804(3) 0.5732(14) 0.35(4) Uani 0.66(6) 1 d PD B 1
H33A H 1.3736 0.8117 0.5855 0.416 Uiso 0.66(6) 1 calc PR B 1
H33B H 1.4634 0.7379 0.5877 0.416 Uiso 0.66(6) 1 calc PR B 1
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'
F F 0.0171 0.0103 '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'
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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
O1 Pt1 O2 79.48(16) . .
O1 Pt1 P1 93.65(12) . .
O2 Pt1 P1 173.01(11) . .
O1 Pt1 P2 173.72(11) . .
O2 Pt1 P2 94.28(12) . .
P1 Pt1 P2 92.57(5) . .
O5 S1 O4 115.9(6) . .
O5 S1 O6 124.3(5) . .
O4 S1 O6 105.1(5) . .
O5 S1 C32 109.4(6) . .
O4 S1 C32 96.2(6) . .
O6 S1 C32 101.4(4) . .
C1 P1 C4 107.5(3) . .
C1 P1 C10 102.4(2) . .
C4 P1 C10 104.3(2) . .
C1 P1 Pt1 117.26(19) . .
C4 P1 Pt1 112.47(16) . .
C10 P1 Pt1 111.73(16) . .
Li1 O1 Pt1 97.5(3) . .
C2 C1 P1 115.6(4) . .
O1 Li1 O2 115.2(5) . 2_766
O1 Li1 O3 118.3(5) . .
O2 Li1 O3 119.9(5) 2_766 .
O1 Li1 O2 84.2(4) . .
O2 Li1 O2 100.1(5) 2_766 .
O3 Li1 O2 110.2(5) . .
O1 Li1 Li1 103.9(6) . 2_766
O2 Li1 Li1 52.0(3) 2_766 2_766
O3 Li1 Li1 130.8(7) . 2_766
O2 Li1 Li1 48.1(4) . 2_766
C16 P2 C3 106.0(3) . .
C16 P2 C22 106.3(3) . .
C3 P2 C22 102.6(2) . .
C16 P2 Pt1 113.52(19) . .
C3 P2 Pt1 116.16(19) . .
C22 P2 Pt1 111.32(19) . .
Li1 O2 Li1 79.9(5) 2_766 .
Li1 O2 Pt1 133.5(4) 2_766 .
Li1 O2 Pt1 92.4(3) . .
C1 C2 C3 113.0(5) . .
C32 F3 C32' 56.1(16) . .
C31 O3 C28 107.6(6) . .
C31 O3 Li1 118.3(6) . .
C28 O3 Li1 119.7(6) . .
C2 C3 P2 113.9(4) . .
S1 O4 C32' 40(2) . .
C5 C4 C9 119.2(5) . .
C5 C4 P1 117.8(4) . .
C9 C4 P1 122.7(4) . .
S1' O5 S1 48.9(4) . .
C6 C5 C4 120.0(6) . .
C32' O6 S1 44(2) . .
C32' O6 S1' 48(2) . .
S1 O6 S1' 27.5(3) . .
C7 C6 C5 121.2(6) . .
C36 O7 C33' 104.8(13) . .
C36 O7 C33 102.4(14) . .
C33' O7 C33 27(2) . .
C6 C7 C8 119.7(6) . .
C7 C8 C9 120.6(6) . .
C4 C9 C8 119.4(6) . .
C15 C10 C11 119.8(5) . .
C15 C10 P1 122.6(4) . .
C11 C10 P1 117.6(4) . .
C12 C11 C10 119.2(6) . .
C13 C12 C11 120.6(7) . .
C12 C13 C14 120.2(6) . .
C13 C14 C15 120.9(6) . .
C14 C15 C10 119.2(6) . .
C17 C16 C21 117.9(7) . .
C17 C16 P2 119.8(5) . .
C21 C16 P2 122.3(5) . .
C16 C17 C18 121.3(8) . .
C19 C18 C17 120.1(9) . .
C20 C19 C18 120.3(8) . .
C19 C20 C21 120.5(8) . .
C16 C21 C20 119.8(7) . .
C23 C22 C27 118.6(6) . .
C23 C22 P2 118.6(5) . .
C27 C22 P2 122.8(6) . .
C24 C23 C22 120.7(8) . .
C25 C24 C23 120.4(9) . .
C24 C25 C26 120.3(7) . .
C25 C26 C27 120.6(10) . .
C22 C27 C26 119.4(10) . .
C29 C28 O3 107.7(9) . .
C28 C29 C30 106.2(11) . .
C31 C30 C29 102.4(10) . .
O3 C31 C30 107.0(8) . .
F2 C32 F1 109.9(10) . .
F2 C32 F3 102.8(10) . .
F1 C32 F3 112.4(12) . .
F2 C32 S1 115.0(10) . .
F1 C32 S1 113.3(9) . .
F3 C32 S1 102.7(8) . .
C34 C33 O7 100.7(15) . .
C35 C34 C33' 107.2(14) . .
C35 C34 C33 101.1(13) . .
C33' C34 C33 28(2) . .
C36 C35 C34 108.7(10) . .
C35 C36 O7 110.7(11) . .
O5 S1' O5' 103.7(15) . .
O5 S1' O5" 117.4(10) . .
O5' S1' O5" 112.1(12) . .
O5 S1' C32' 115.8(16) . .
O5' S1' C32' 107.1(18) . .
O5" S1' C32' 100.6(14) . .
O5 S1' O6 94.1(6) . .
O5' S1' O6 80.6(8) . .
O5" S1' O6 140.0(8) . .
C32' S1' O6 40.5(12) . .
O6 C32' F3 137(4) . .
O6 C32' S1' 91(3) . .
F3 C32' S1' 117.3(16) . .
O6 C32' O4 98(2) . .
F3 C32' O4 111(3) . .
S1' C32' O4 91(3) . .
C34 C33' O7 106.4(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 O1 2.039(4) .
Pt1 O2 2.070(4) .
Pt1 P1 2.2157(13) .
Pt1 P2 2.2267(14) .
S1 O5 1.400(7) .
S1 O4 1.456(8) .
S1 O6 1.510(7) .
S1 C32 1.788(12) .
P1 C1 1.820(5) .
P1 C4 1.822(5) .
P1 C10 1.831(6) .
F1 C32 1.304(12) .
O1 Li1 1.890(10) .
C1 C2 1.530(8) .
Li1 O2 1.912(10) 2_766
Li1 O3 1.932(11) .
Li1 O2 2.025(11) .
Li1 Li1 2.53(2) 2_766
O5" S1' 1.564(19) .
P2 C16 1.812(6) .
P2 C3 1.823(5) .
P2 C22 1.825(6) .
F2 C32 1.303(12) .
O2 Li1 1.912(10) 2_766
C2 C3 1.532(8) .
F3 C32 1.313(12) .
F3 C32' 1.44(5) .
O3 C31 1.428(9) .
O3 C28 1.428(11) .
O4 C32' 1.68(4) .
C4 C5 1.387(8) .
C4 C9 1.390(8) .
O5 S1' 1.214(9) .
C5 C6 1.383(10) .
O6 C32' 1.42(3) .
O6 S1' 2.185(9) .
C6 C7 1.354(10) .
O7 C36 1.406(15) .
O7 C33' 1.47(2) .
O7 C33 1.54(2) .
C7 C8 1.377(10) .
C8 C9 1.394(9) .
C10 C15 1.390(8) .
C10 C11 1.408(8) .
C11 C12 1.383(9) .
C12 C13 1.368(11) .
C13 C14 1.376(10) .
C14 C15 1.381(9) .
C16 C17 1.363(9) .
C16 C21 1.375(10) .
C17 C18 1.390(12) .
C18 C19 1.340(13) .
C19 C20 1.336(12) .
C20 C21 1.407(12) .
C22 C23 1.373(10) .
C22 C27 1.383(11) .
C23 C24 1.381(10) .
C24 C25 1.335(14) .
C25 C26 1.363(15) .
C26 C27 1.382(12) .
C28 C29 1.392(17) .
C29 C30 1.48(2) .
C30 C31 1.461(12) .
C33 C34 1.52(2) .
C34 C35 1.397(17) .
C34 C33' 1.47(2) .
C35 C36 1.388(16) .
S1' O5' 1.429(19) .
S1' C32' 1.64(5) .
