#------------------------------------------------------------------------------
#$Date: 2018-08-16 16:56:20 +0300 (Thu, 16 Aug 2018) $
#$Revision: 209803 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/56/4085650.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_4085650
loop_
_publ_author_name
'Schröder, Fabian G.'
'Sundermeyer, Jörg'
_publ_section_title
;
 Fluorenylidene-Functionalized Lithium Phosphonium Di- and Triylides
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1017
_journal_page_last               1020
_journal_paper_doi               10.1021/om501325h
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C40 H52 Li2 O2 P2'
_chemical_formula_sum            'C40 H52 Li2 O2 P2'
_chemical_formula_weight         640.64
_chemical_name_common            'compound 3'
_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                95.220(6)
_cell_angle_beta                 103.669(6)
_cell_angle_gamma                90.252(6)
_cell_formula_units_Z            1
_cell_length_a                   8.9171(6)
_cell_length_b                   9.6350(7)
_cell_length_c                   10.9153(8)
_cell_measurement_reflns_used    5341
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.16
_cell_measurement_theta_min      2.125
_cell_volume                     907.14(11)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'Diamond 3.0 (Brandenburg, 2004)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Giacovazzo et al, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0566
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            11997
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.99
_diffrn_reflns_theta_min         1.93
_exptl_absorpt_coefficient_mu    0.152
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.173
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             344
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.753
_refine_diff_density_min         -0.420
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     221
_refine_ls_number_reflns         11997
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.985
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0536
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0828P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1317
_refine_ls_wR_factor_ref         0.1389
_reflns_number_gt                8549
_reflns_number_total             11997
_reflns_threshold_expression     >2σ(I)
_cod_duplicate_entry             4085589
_cod_data_source_file            om501325h_si_002.cif
_cod_data_source_block           cpd3
_cod_original_formula_sum        'C40 H52 Li2 O2 P2 '
_cod_database_code               4085650
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
C1 C 0.24273(16) 0.41993(14) 0.71033(13) 0.0222(3) Uani 1 1 d . . .
C2 C 0.20121(16) 0.32142(14) 0.78923(13) 0.0215(3) Uani 1 1 d . . .
C3 C 0.16591(16) 0.18874(14) 0.71704(13) 0.0223(3) Uani 1 1 d . . .
C4 C 0.19008(16) 0.20270(15) 0.59290(13) 0.0227(3) Uani 1 1 d . . .
C5 C 0.23833(16) 0.34382(14) 0.58914(13) 0.0215(3) Uani 1 1 d . . .
C6 C 0.19246(16) 0.33261(15) 0.91729(14) 0.0238(3) Uani 1 1 d . . .
H6 H 0.2156 0.4191 0.9678 0.029 Uiso 1 1 calc R . .
C7 C 0.14974(17) 0.21623(15) 0.96889(13) 0.0258(3) Uani 1 1 d . . .
H7 H 0.1461 0.2237 1.0555 0.031 Uiso 1 1 calc R . .
C8 C 0.11206(17) 0.08846(15) 0.89604(14) 0.0262(3) Uani 1 1 d . . .
H8 H 0.0808 0.0109 0.9327 0.031 Uiso 1 1 calc R . .
C9 C 0.12026(16) 0.07490(15) 0.77040(14) 0.0241(3) Uani 1 1 d . . .
H9 H 0.0948 -0.0120 0.7208 0.029 Uiso 1 1 calc R . .
C10 C 0.27830(17) 0.37921(16) 0.47818(13) 0.0265(3) Uani 1 1 d . . .
H10 H 0.3128 0.4715 0.4732 0.032 Uiso 1 1 calc R . .
C11 C 0.26746(18) 0.28013(17) 0.37703(14) 0.0299(3) Uani 1 1 d . . .
H11 H 0.2946 0.3054 0.3028 0.036 Uiso 1 1 calc R . .
C12 C 0.21732(19) 0.14304(17) 0.38099(15) 0.0312(3) Uani 1 1 d . . .
H12 H 0.2094 0.0769 0.3096 0.037 Uiso 1 1 calc R . .
C13 C 0.17938(18) 0.10409(15) 0.48878(14) 0.0274(3) Uani 1 1 d . . .
H13 H 0.1462 0.0110 0.4922 0.033 Uiso 1 1 calc R . .
C14 C 0.45687(18) 0.61730(16) 0.87320(14) 0.0249(3) Uani 1 1 d U . .
C15 C 0.13155(18) 0.66952(16) 0.82811(16) 0.0319(3) Uani 1 1 d . . .
H15A H 0.0332 0.6603 0.7643 0.048 Uiso 1 1 calc R . .
H15B H 0.1556 0.7683 0.8562 0.048 Uiso 1 1 calc R . .
H15C H 0.1236 0.6195 0.9007 0.048 Uiso 1 1 calc R . .
C16 C 0.2701(2) 0.69479(16) 0.62423(15) 0.0339(4) Uani 1 1 d U . .
H16A H 0.3563 0.6717 0.5852 0.051 Uiso 1 1 calc R . .
H16B H 0.2747 0.7948 0.6516 0.051 Uiso 1 1 calc R . .
H16C H 0.1723 0.6711 0.5624 0.051 Uiso 1 1 calc R . .
C17 C 0.6416(2) 0.12992(17) 0.87178(19) 0.0419(4) Uani 1 1 d . . .
H17A H 0.6536 0.1327 0.9645 0.050 Uiso 1 1 calc R . .
H17B H 0.7434 0.1096 0.8538 0.050 Uiso 1 1 calc R . .
C18 C 0.5304(2) 0.0170(2) 0.8085(2) 0.0577(6) Uani 1 1 d . . .
H18A H 0.4345 0.0284 0.8369 0.087 Uiso 1 1 calc R . .
H18B H 0.5743 -0.0732 0.8300 0.087 Uiso 1 1 calc R . .
H18C H 0.5086 0.0208 0.7166 0.087 Uiso 1 1 calc R . .
C19 C 0.64230(19) 0.30149(19) 0.72120(15) 0.0339(4) Uani 1 1 d . . .
H19A H 0.5736 0.3727 0.6796 0.041 Uiso 1 1 calc R . .
H19B H 0.6335 0.2176 0.6601 0.041 Uiso 1 1 calc R . .
C20 C 0.80574(19) 0.35669(19) 0.75521(17) 0.0368(4) Uani 1 1 d . . .
H20A H 0.8139 0.4418 0.8131 0.055 Uiso 1 1 calc R . .
H20B H 0.8362 0.3778 0.6782 0.055 Uiso 1 1 calc R . .
H20C H 0.8740 0.2865 0.7966 0.055 Uiso 1 1 calc R . .
Li1 Li 0.4762(3) 0.3913(3) 0.9168(2) 0.0273(5) Uani 1 1 d . . .
O1 O 0.59325(12) 0.26631(10) 0.83051(10) 0.0299(2) Uani 1 1 d . . .
P1 P 0.28326(5) 0.59641(4) 0.76002(4) 0.02255(10) Uani 1 1 d U . .
H14A H 0.533(2) 0.592(2) 0.8290(18) 0.045(5) Uiso 1 1 d . . .
H14B H 0.478(2) 0.716(2) 0.9031(17) 0.039(5) Uiso 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C2 C1 C5 106.59(12) . .
C2 C1 P1 123.50(10) . .
C5 C1 P1 129.89(11) . .
C2 C1 Li1 68.59(9) . .
C5 C1 Li1 121.72(10) . .
P1 C1 Li1 81.56(7) . .
C6 C2 C3 118.18(13) . .
C6 C2 C1 132.71(13) . .
C3 C2 C1 109.10(12) . .
C6 C2 Li1 74.94(10) . .
C3 C2 Li1 121.90(10) . .
C1 C2 Li1 79.95(10) . .
C9 C3 C2 120.97(13) . .
C9 C3 C4 131.49(14) . .
C2 C3 C4 107.53(12) . .
C13 C4 C5 121.05(13) . .
C13 C4 C3 130.87(14) . .
C5 C4 C3 108.03(12) . .
C10 C5 C4 117.81(13) . .
C10 C5 C1 133.39(13) . .
C4 C5 C1 108.70(12) . .
C7 C6 C2 119.57(13) . .
C7 C6 Li1 122.85(11) . .
C2 C6 Li1 73.30(10) . .
C7 C6 H6 120.2 . .
C2 C6 H6 120.2 . .
Li1 C6 H6 75.3 . .
C6 C7 C8 121.40(13) . .
C6 C7 H7 119.3 . .
C8 C7 H7 119.3 . .
C9 C8 C7 120.04(14) . .
C9 C8 H8 120.0 . .
C7 C8 H8 120.0 . .
C8 C9 C3 119.80(14) . .
C8 C9 H9 120.1 . .
C3 C9 H9 120.1 . .
C11 C10 C5 120.07(14) . .
C11 C10 H10 120.0 . .
C5 C10 H10 120.0 . .
C10 C11 C12 121.57(14) . .
C10 C11 H11 119.2 . .
C12 C11 H11 119.2 . .
C13 C12 C11 119.96(14) . .
C13 C12 H12 120.0 . .
C11 C12 H12 120.0 . .
C12 C13 C4 119.52(14) . .
C12 C13 H13 120.2 . .
C4 C13 H13 120.2 . .
P1 C14 Li1 133.92(11) . 2_667
P1 C14 Li1 96.47(10) . .
Li1 C14 Li1 70.70(11) 2_667 .
P1 C14 H14A 104.8(12) . .
Li1 C14 H14A 116.3(12) 2_667 .
Li1 C14 H14A 82.2(12) . .
P1 C14 H14B 110.3(11) . .
Li1 C14 H14B 78.5(11) 2_667 .
Li1 C14 H14B 148.4(11) . .
H14A C14 H14B 105.8(16) . .
P1 C15 H15A 109.5 . .
P1 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
P1 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
P1 C16 H16A 109.5 . .
P1 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
P1 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O1 C17 C18 112.53(16) . .
O1 C17 H17A 109.1 . .
C18 C17 H17A 109.1 . .
O1 C17 H17B 109.1 . .
C18 C17 H17B 109.1 . .
H17A C17 H17B 107.8 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
O1 C19 C20 111.62(13) . .
O1 C19 H19A 109.3 . .
C20 C19 H19A 109.3 . .
O1 C19 H19B 109.3 . .
C20 C19 H19B 109.3 . .
H19A C19 H19B 108.0 . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
O1 Li1 C14 112.16(12) . 2_667
O1 Li1 C14 119.54(13) . .
C14 Li1 C14 109.30(11) 2_667 .
O1 Li1 C2 100.00(11) . .
C14 Li1 C2 120.79(12) 2_667 .
C14 Li1 C2 94.35(10) . .
O1 Li1 C6 121.27(13) . .
C14 Li1 C6 89.63(10) 2_667 .
C14 Li1 C6 100.61(10) . .
C2 Li1 C6 31.76(5) . .
O1 Li1 Li1 138.83(18) . 2_667
C14 Li1 Li1 55.23(10) 2_667 2_667
C14 Li1 Li1 54.07(9) . 2_667
C2 Li1 Li1 120.34(14) . 2_667
C6 Li1 Li1 98.90(13) . 2_667
O1 Li1 C1 95.75(10) . .
C14 Li1 C1 146.32(12) 2_667 .
C14 Li1 C1 69.25(8) . .
C2 Li1 C1 31.45(5) . .
C6 Li1 C1 58.91(7) . .
Li1 Li1 C1 113.93(13) 2_667 .
O1 Li1 P1 116.27(11) . .
C14 Li1 P1 130.51(10) 2_667 .
C14 Li1 P1 34.97(5) . .
C2 Li1 P1 59.91(6) . .
C6 Li1 P1 74.10(7) . .
Li1 Li1 P1 81.03(11) 2_667 .
C1 Li1 P1 35.05(4) . .
O1 Li1 H14A 96.4(5) . .
C14 Li1 H14A 120.0(5) 2_667 .
C14 Li1 H14A 23.5(5) . .
C2 Li1 H14A 103.3(5) . .
C6 Li1 H14A 119.4(5) . .
Li1 Li1 H14A 68.3(5) 2_667 .
C1 Li1 H14A 72.8(5) . .
P1 Li1 H14A 45.9(5) . .
C19 O1 C17 114.70(12) . .
C19 O1 Li1 122.11(12) . .
C17 O1 Li1 123.17(12) . .
C14 P1 C1 110.37(7) . .
C14 P1 C15 108.74(7) . .
C1 P1 C15 110.03(7) . .
C14 P1 C16 115.04(8) . .
C1 P1 C16 110.13(7) . .
C15 P1 C16 102.20(8) . .
C14 P1 Li1 48.56(7) . .
C1 P1 Li1 63.39(7) . .
C15 P1 Li1 113.82(7) . .
C16 P1 Li1 143.53(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.441(2) .
C1 C5 1.4450(19) .
C1 P1 1.7465(14) .
C1 Li1 2.719(3) .
C2 C6 1.4127(19) .
C2 C3 1.4318(19) .
C2 Li1 2.571(3) .
C3 C9 1.390(2) .
C3 C4 1.439(2) .
C4 C13 1.398(2) .
C4 C5 1.431(2) .
C5 C10 1.410(2) .
C6 C7 1.390(2) .
C6 Li1 2.592(3) .
C6 H6 0.9500 .
C7 C8 1.397(2) .
C7 H7 0.9500 .
C8 C9 1.385(2) .
C8 H8 0.9500 .
C9 H9 0.9500 .
C10 C11 1.377(2) .
C10 H10 0.9500 .
C11 C12 1.400(2) .
C11 H11 0.9500 .
C12 C13 1.381(2) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 P1 1.7354(16) .
C14 Li1 2.237(3) 2_667
C14 Li1 2.269(3) .
C14 H14A 0.939(19) .
C14 H14B 0.98(2) .
C15 P1 1.8075(15) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 P1 1.8121(16) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 O1 1.4617(19) .
C17 C18 1.474(3) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 O1 1.4313(19) .
C19 C20 1.499(2) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
Li1 O1 1.923(3) .
Li1 C14 2.237(3) 2_667
Li1 Li1 2.607(5) 2_667
Li1 P1 3.008(2) .
Li1 H14A 2.34(2) .
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
C5 C1 C2 C6 176.69(15) . . . .
P1 C1 C2 C6 -4.9(2) . . . .
Li1 C1 C2 C6 58.49(16) . . . .
C5 C1 C2 C3 -2.25(15) . . . .
P1 C1 C2 C3 176.21(10) . . . .
Li1 C1 C2 C3 -120.44(12) . . . .
C5 C1 C2 Li1 118.19(11) . . . .
P1 C1 C2 Li1 -63.35(11) . . . .
C6 C2 C3 C9 1.7(2) . . . .
C1 C2 C3 C9 -179.20(13) . . . .
Li1 C2 C3 C9 90.91(16) . . . .
C6 C2 C3 C4 -177.32(12) . . . .
C1 C2 C3 C4 1.79(15) . . . .
Li1 C2 C3 C4 -88.11(14) . . . .
C9 C3 C4 C13 -2.2(3) . . . .
C2 C3 C4 C13 176.63(14) . . . .
C9 C3 C4 C5 -179.48(14) . . . .
C2 C3 C4 C5 -0.61(15) . . . .
C13 C4 C5 C10 -1.5(2) . . . .
C3 C4 C5 C10 176.05(12) . . . .
C13 C4 C5 C1 -178.35(13) . . . .
C3 C4 C5 C1 -0.78(15) . . . .
C2 C1 C5 C10 -174.29(15) . . . .
P1 C1 C5 C10 7.4(2) . . . .
Li1 C1 C5 C10 -99.57(17) . . . .
C2 C1 C5 C4 1.85(15) . . . .
P1 C1 C5 C4 -176.46(11) . . . .
Li1 C1 C5 C4 76.57(15) . . . .
C3 C2 C6 C7 -0.3(2) . . . .
C1 C2 C6 C7 -179.13(14) . . . .
Li1 C2 C6 C7 -118.75(14) . . . .
C3 C2 C6 Li1 118.47(13) . . . .
C1 C2 C6 Li1 -60.38(16) . . . .
C2 C6 C7 C8 -1.3(2) . . . .
Li1 C6 C7 C8 -89.76(17) . . . .
C6 C7 C8 C9 1.5(2) . . . .
C7 C8 C9 C3 -0.1(2) . . . .
C2 C3 C9 C8 -1.5(2) . . . .
C4 C3 C9 C8 177.22(14) . . . .
C4 C5 C10 C11 1.2(2) . . . .
C1 C5 C10 C11 177.11(14) . . . .
C5 C10 C11 C12 -0.1(2) . . . .
C10 C11 C12 C13 -0.9(2) . . . .
C11 C12 C13 C4 0.6(2) . . . .
C5 C4 C13 C12 0.6(2) . . . .
C3 C4 C13 C12 -176.33(15) . . . .
P1 C14 Li1 O1 94.44(15) . . . .
Li1 C14 Li1 O1 -131.1(2) 2_667 . . .
P1 C14 Li1 C14 -134.42(12) . . . 2_667
Li1 C14 Li1 C14 0.0 2_667 . . 2_667
P1 C14 Li1 C2 -9.63(9) . . . .
Li1 C14 Li1 C2 124.79(14) 2_667 . . .
P1 C14 Li1 C6 -41.06(10) . . . .
Li1 C14 Li1 C6 93.36(12) 2_667 . . .
P1 C14 Li1 Li1 -134.42(12) . . . 2_667
P1 C14 Li1 C1 9.69(6) . . . .
Li1 C14 Li1 C1 144.11(13) 2_667 . . .
Li1 C14 Li1 P1 134.42(12) 2_667 . . .
C6 C2 Li1 O1 135.79(12) . . . .
C3 C2 Li1 O1 21.67(17) . . . .
C1 C2 Li1 O1 -84.66(11) . . . .
C6 C2 Li1 C14 12.37(13) . . . 2_667
C3 C2 Li1 C14 -101.75(15) . . . 2_667
C1 C2 Li1 C14 151.92(13) . . . 2_667
C6 C2 Li1 C14 -103.18(11) . . . .
C3 C2 Li1 C14 142.70(12) . . . .
C1 C2 Li1 C14 36.37(10) . . . .
C3 C2 Li1 C6 -114.12(15) . . . .
C1 C2 Li1 C6 139.55(12) . . . .
C6 C2 Li1 Li1 -52.78(18) . . . 2_667
C3 C2 Li1 Li1 -166.89(16) . . . 2_667
C1 C2 Li1 Li1 86.78(18) . . . 2_667
C6 C2 Li1 C1 -139.55(12) . . . .
C3 C2 Li1 C1 106.33(14) . . . .
C6 C2 Li1 P1 -109.54(9) . . . .
C3 C2 Li1 P1 136.34(12) . . . .
C1 C2 Li1 P1 30.01(7) . . . .
C7 C6 Li1 O1 61.35(19) . . . .
C2 C6 Li1 O1 -53.46(14) . . . .
C7 C6 Li1 C14 -54.59(15) . . . 2_667
C2 C6 Li1 C14 -169.40(12) . . . 2_667
C7 C6 Li1 C14 -164.17(12) . . . .
C2 C6 Li1 C14 81.02(11) . . . .
C7 C6 Li1 C2 114.81(16) . . . .
C7 C6 Li1 Li1 -109.26(16) . . . 2_667
C2 C6 Li1 Li1 135.93(15) . . . 2_667
C7 C6 Li1 C1 138.09(13) . . . .
C2 C6 Li1 C1 23.28(8) . . . .
C7 C6 Li1 P1 172.78(12) . . . .
C2 C6 Li1 P1 57.98(8) . . . .
C2 C1 Li1 O1 99.77(12) . . . .
C5 C1 Li1 O1 2.97(16) . . . .
P1 C1 Li1 O1 -129.13(10) . . . .
C2 C1 Li1 C14 -46.8(2) . . . 2_667
C5 C1 Li1 C14 -143.6(2) . . . 2_667
P1 C1 Li1 C14 84.3(2) . . . 2_667
C2 C1 Li1 C14 -140.78(11) . . . .
C5 C1 Li1 C14 122.43(13) . . . .
P1 C1 Li1 C14 -9.67(7) . . . .
C5 C1 Li1 C2 -96.79(14) . . . .
P1 C1 Li1 C2 131.11(10) . . . .
C2 C1 Li1 C6 -23.50(8) . . . .
C5 C1 Li1 C6 -120.29(13) . . . .
P1 C1 Li1 C6 107.61(7) . . . .
C2 C1 Li1 Li1 -109.49(17) . . . 2_667
C5 C1 Li1 Li1 153.72(16) . . . 2_667
P1 C1 Li1 Li1 21.61(15) . . . 2_667
C2 C1 Li1 P1 -131.11(10) . . . .
C5 C1 Li1 P1 132.10(14) . . . .
C20 C19 O1 C17 -81.59(18) . . . .
C20 C19 O1 Li1 97.35(17) . . . .
C18 C17 O1 C19 -88.11(19) . . . .
C18 C17 O1 Li1 93.0(2) . . . .
C14 Li1 O1 C19 -143.12(13) 2_667 . . .
C14 Li1 O1 C19 -13.2(2) . . . .
C2 Li1 O1 C19 87.61(14) . . . .
C6 Li1 O1 C19 113.04(15) . . . .
Li1 Li1 O1 C19 -81.1(3) 2_667 . . .
C1 Li1 O1 C19 56.14(15) . . . .
P1 Li1 O1 C19 26.35(18) . . . .
C14 Li1 O1 C17 35.7(2) 2_667 . . .
C14 Li1 O1 C17 165.60(14) . . . .
C2 Li1 O1 C17 -93.54(15) . . . .
C6 Li1 O1 C17 -68.11(19) . . . .
Li1 Li1 O1 C17 97.7(3) 2_667 . . .
C1 Li1 O1 C17 -125.01(14) . . . .
P1 Li1 O1 C17 -154.81(13) . . . .
Li1 C14 P1 C1 -84.50(15) 2_667 . . .
Li1 C14 P1 C1 -15.15(10) . . . .
Li1 C14 P1 C15 36.28(15) 2_667 . . .
Li1 C14 P1 C15 105.62(9) . . . .
Li1 C14 P1 C16 150.15(13) 2_667 . . .
Li1 C14 P1 C16 -140.50(9) . . . .
Li1 C14 P1 Li1 -69.35(15) 2_667 . . .
C2 C1 P1 C14 69.93(13) . . . .
C5 C1 P1 C14 -112.00(14) . . . .
Li1 C1 P1 C14 12.66(9) . . . .
C2 C1 P1 C15 -50.08(14) . . . .
C5 C1 P1 C15 127.99(13) . . . .
Li1 C1 P1 C15 -107.35(8) . . . .
C2 C1 P1 C16 -161.99(12) . . . .
C5 C1 P1 C16 16.08(16) . . . .
Li1 C1 P1 C16 140.74(8) . . . .
C2 C1 P1 Li1 57.27(12) . . . .
C5 C1 P1 Li1 -124.66(15) . . . .
O1 Li1 P1 C14 -104.69(15) . . . .
C14 Li1 P1 C14 62.44(16) 2_667 . . .
C2 Li1 P1 C14 168.88(11) . . . .
C6 Li1 P1 C14 137.84(11) . . . .
Li1 Li1 P1 C14 35.84(10) 2_667 . . .
C1 Li1 P1 C14 -164.09(11) . . . .
O1 Li1 P1 C1 59.40(12) . . . .
C14 Li1 P1 C1 -133.47(17) 2_667 . . .
C14 Li1 P1 C1 164.09(11) . . . .
C2 Li1 P1 C1 -27.03(7) . . . .
C6 Li1 P1 C1 -58.07(7) . . . .
Li1 Li1 P1 C1 -160.07(14) 2_667 . . .
O1 Li1 P1 C15 160.79(12) . . . .
C14 Li1 P1 C15 -32.08(17) 2_667 . . .
C14 Li1 P1 C15 -94.52(10) . . . .
C2 Li1 P1 C15 74.37(8) . . . .
C6 Li1 P1 C15 43.32(9) . . . .
Li1 Li1 P1 C15 -58.68(14) 2_667 . . .
C1 Li1 P1 C15 101.39(9) . . . .
O1 Li1 P1 C16 -28.9(2) . . . .
C14 Li1 P1 C16 138.27(14) 2_667 . . .
C14 Li1 P1 C16 75.83(14) . . . .
C2 Li1 P1 C16 -115.29(12) . . . .
C6 Li1 P1 C16 -146.33(11) . . . .
Li1 Li1 P1 C16 111.67(14) 2_667 . . .
C1 Li1 P1 C16 -88.26(13) . . . .
