#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:56:46 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179270 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/90/4319015.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_4319015
loop_
_publ_author_name
'Glen G. Briand'
'Tristram Chivers'
'Mark Krahn'
'Masood Parvez'
_publ_contact_author_email       ' parvez@ucalgary.ca '
_publ_contact_author_fax         ' (403)289-9488 '
_publ_contact_author_phone       ' (403)220-5348 '
_publ_section_title
;
 Synthesis and X-ray Structures of Dilithium Complexes of the Phosphonate
 Anions [PhP(E)(NtBu)2]2- (E = O, S, Se, Te) and Dimethylaluminum
 Derivatives of [PhP(E)(NtBu)(NHtBu)]- (E = S, Se)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6808
_journal_page_last               6815
_journal_paper_doi               10.1021/ic020471h
_journal_volume                  41
_journal_year                    2002
_chemical_compound_source        'synthesized by authors '
_chemical_formula_sum            'C22 H39 Li2 N2 O2 P Te'
_chemical_formula_weight         536.00
_chemical_melting_point          ' ? '
_chemical_name_common            ' ? '
_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
_cell_angle_alpha                94.6527(7)
_cell_angle_beta                 104.7860(8)
_cell_angle_gamma                110.9496(9)
_cell_formula_units_Z            2
_cell_length_a                   9.2017(2)
_cell_length_b                   10.1328(2)
_cell_length_c                   15.8982(4)
_cell_measurement_reflns_used    11066
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      1.0
_cell_volume                     1313.89(5)
_computing_cell_refinement       'HKL DENZO (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_data_reduction        'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'TEXSAN (M. S. C., 1994)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SAPI91 (Fan, 1991)'
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Nonius KappaCCD Diffractometer'
_diffrn_measurement_method       ' ω & φ '
_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  0.0198
_diffrn_reflns_av_sigmaI/netI    0.0376
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11066
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.42
_diffrn_reflns_theta_min         3.14
_diffrn_standards_decay_%        ' < 0.1 '
_exptl_absorpt_coefficient_mu    1.211
_exptl_absorpt_correction_T_max  0.8392
_exptl_absorpt_correction_T_min  0.7517
_exptl_absorpt_correction_type   'Multi-scan method'
_exptl_absorpt_process_details   '(SORTAV: Blessing, 1997)'
_exptl_crystal_colour            pale/yellow
_exptl_crystal_density_diffrn    1.355
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             548
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.142
_refine_diff_density_min         -1.155
_refine_diff_density_rms         0.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.186
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         5924
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.186
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_gt           0.0493
_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)+(0.0543P)²+6.3550P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1470
_refine_ls_wR_factor_ref         0.1504
_reflns_number_gt                5301
_reflns_number_total             5924
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020471h_6.cif
_cod_data_source_block           Compound_2d
_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_sg_symbol_H-M      ' P -1 '
_cod_database_code               4319015
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
Te1 Te 1.04743(4) 0.35132(4) 0.89501(2) 0.03004(13) Uani 1 1 d . . .
P1 P 0.79819(14) 0.34356(12) 0.78255(7) 0.0192(2) Uani 1 1 d . . .
O1 O 0.7740(6) 0.7186(5) 0.6734(3) 0.0508(12) Uani 1 1 d . . .
O2 O 1.0182(5) 0.7404(4) 0.8620(3) 0.0312(8) Uani 1 1 d . . .
N1 N 0.7315(5) 0.4480(4) 0.8294(3) 0.0219(8) Uani 1 1 d . . .
N2 N 0.8350(5) 0.4094(4) 0.6987(3) 0.0221(8) Uani 1 1 d . . .
C1 C 0.5690(6) 0.4174(5) 0.8406(4) 0.0280(10) Uani 1 1 d . . .
C2 C 0.5378(8) 0.3214(7) 0.9088(5) 0.0447(15) Uani 1 1 d . . .
H2A H 0.6278 0.3640 0.9643 0.067 Uiso 1 1 calc R . .
H2B H 0.5306 0.2257 0.8862 0.067 Uiso 1 1 calc R . .
H2C H 0.4350 0.3131 0.9197 0.067 Uiso 1 1 calc R . .
C3 C 0.4282(8) 0.3508(9) 0.7542(5) 0.059(2) Uani 1 1 d . . .
H3A H 0.4479 0.4122 0.7103 0.088 Uiso 1 1 calc R . .
H3B H 0.3255 0.3425 0.7652 0.088 Uiso 1 1 calc R . .
H3C H 0.4209 0.2550 0.7316 0.088 Uiso 1 1 calc R . .
C4 C 0.5701(7) 0.5631(6) 0.8763(4) 0.0383(13) Uani 1 1 d . . .
H4A H 0.5895 0.6269 0.8336 0.057 Uiso 1 1 calc R . .
H4B H 0.6571 0.6067 0.9329 0.057 Uiso 1 1 calc R . .
H4C H 0.4644 0.5488 0.8853 0.057 Uiso 1 1 calc R . .
C5 C 0.9255(6) 0.3777(5) 0.6416(3) 0.0243(9) Uani 1 1 d . . .
C6 C 1.0990(7) 0.4966(6) 0.6700(4) 0.0321(11) Uani 1 1 d . . .
H6A H 1.1572 0.4954 0.7307 0.048 Uiso 1 1 calc R . .
H6B H 1.0921 0.5906 0.6675 0.048 Uiso 1 1 calc R . .
H6C H 1.1582 0.4794 0.6299 0.048 Uiso 1 1 calc R . .
C7 C 0.9396(7) 0.2312(6) 0.6412(4) 0.0328(11) Uani 1 1 d . . .
H7A H 0.9959 0.2259 0.7013 0.049 Uiso 1 1 calc R . .
H7B H 1.0020 0.2201 0.6015 0.049 Uiso 1 1 calc R . .
H7C H 0.8301 0.1540 0.6205 0.049 Uiso 1 1 calc R . .
C8 C 0.8368(8) 0.3817(7) 0.5465(3) 0.0367(12) Uani 1 1 d . . .
H8A H 0.8263 0.4745 0.5450 0.055 Uiso 1 1 calc R . .
H8B H 0.7279 0.3037 0.5265 0.055 Uiso 1 1 calc R . .
H8C H 0.8997 0.3696 0.5073 0.055 Uiso 1 1 calc R . .
C9 C 0.6589(6) 0.1524(5) 0.7493(4) 0.0292(10) Uani 1 1 d . . .
C10 C 0.6571(8) 0.0538(6) 0.8057(5) 0.0431(14) Uani 1 1 d . . .
H10 H 0.7314 0.0832 0.8640 0.052 Uiso 1 1 calc R . .
C11 C 0.5442(11) -0.0894(7) 0.7754(7) 0.069(3) Uani 1 1 d . . .
H11 H 0.5419 -0.1568 0.8137 0.082 Uiso 1 1 calc R . .
C12 C 0.4365(10) -0.1333(8) 0.6906(8) 0.073(3) Uani 1 1 d . . .
H12 H 0.3612 -0.2307 0.6709 0.087 Uiso 1 1 calc R . .
C13 C 0.4378(9) -0.0371(8) 0.6347(6) 0.065(2) Uani 1 1 d . . .
H13 H 0.3634 -0.0677 0.5763 0.078 Uiso 1 1 calc R . .
C14 C 0.5481(7) 0.1051(7) 0.6635(4) 0.0423(14) Uani 1 1 d . . .
H14 H 0.5485 0.1714 0.6245 0.051 Uiso 1 1 calc R . .
C15 C 0.6352(11) 0.6533(11) 0.5948(5) 0.067(2) Uani 1 1 d . . .
H15A H 0.5354 0.6560 0.6063 0.081 Uiso 1 1 calc R . .
H15B H 0.6167 0.5518 0.5752 0.081 Uiso 1 1 calc R . .
C16 C 0.6754(18) 0.739(2) 0.5262(9) 0.162(8) Uani 1 1 d . . .
H16A H 0.6060 0.7949 0.5129 0.195 Uiso 1 1 calc R . .
H16B H 0.6581 0.6754 0.4708 0.195 Uiso 1 1 calc R . .
C17 C 0.853(2) 0.8388(12) 0.5651(8) 0.125(6) Uani 1 1 d . . .
H17A H 0.9245 0.7962 0.5473 0.150 Uiso 1 1 calc R . .
H17B H 0.8739 0.9330 0.5464 0.150 Uiso 1 1 calc R . .
C18 C 0.8787(17) 0.8540(9) 0.6621(7) 0.092(4) Uani 1 1 d . . .
H18A H 0.9942 0.8753 0.6945 0.110 Uiso 1 1 calc R . .
H18B H 0.8493 0.9323 0.6839 0.110 Uiso 1 1 calc R . .
C19 C 1.0008(8) 0.8701(6) 0.8983(4) 0.0398(13) Uani 1 1 d . . .
H19A H 0.9619 0.8556 0.9507 0.048 Uiso 1 1 calc R . .
H19B H 0.9219 0.8934 0.8532 0.048 Uiso 1 1 calc R . .
C20 C 1.1684(10) 0.9891(7) 0.9238(7) 0.065(2) Uani 1 1 d . . .
H20A H 1.1753 1.0530 0.8797 0.078 Uiso 1 1 calc R . .
H20B H 1.1942 1.0474 0.9827 0.078 Uiso 1 1 calc R . .
C21 C 1.2825(10) 0.9161(9) 0.9258(7) 0.074(3) Uani 1 1 d . . .
H21A H 1.3772 0.9750 0.9078 0.089 Uiso 1 1 calc R . .
H21B H 1.3229 0.8980 0.9858 0.089 Uiso 1 1 calc R . .
C22 C 1.1856(7) 0.7804(7) 0.8623(5) 0.0439(14) Uani 1 1 d . . .
H22A H 1.1946 0.7928 0.8024 0.053 Uiso 1 1 calc R . .
H22B H 1.2250 0.7048 0.8802 0.053 Uiso 1 1 calc R . .
Li1 Li 0.8266(11) 0.5928(9) 0.7504(6) 0.0282(17) Uani 1 1 d . . .
Li2 Li 0.9339(11) 0.5714(9) 0.9288(6) 0.0291(17) 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'
N N 0.0061 0.0033 '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'
Te Te -0.5308 1.6751 '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
_geom_angle_publ_flag
P1 Te1 Li2 115.24(18) . 2_767 ?
P1 Te1 Li2 63.00(18) . . ?
Li2 Te1 Li2 64.6(3) 2_767 . ?
N2 P1 N1 105.1(2) . . ?
N2 P1 C9 111.0(2) . . ?
N1 P1 C9 115.3(2) . . ?
N2 P1 Te1 113.29(15) . . ?
N1 P1 Te1 106.68(15) . . ?
C9 P1 Te1 105.59(18) . . ?
N2 P1 Li1 51.8(2) . . ?
N1 P1 Li1 55.3(2) . . ?
C9 P1 Li1 142.4(3) . . ?
Te1 P1 Li1 111.9(2) . . ?
N2 P1 Li2 107.7(2) . . ?
N1 P1 Li2 44.7(2) . . ?
C9 P1 Li2 140.5(3) . . ?
Te1 P1 Li2 64.68(18) . . ?
Li1 P1 Li2 63.0(3) . . ?
C18 O1 C15 109.4(7) . . ?
C18 O1 Li1 129.0(7) . . ?
C15 O1 Li1 117.3(5) . . ?
C22 O2 C19 108.1(4) . . ?
C22 O2 Li2 114.9(4) . . ?
C19 O2 Li2 111.3(4) . . ?
C22 O2 Li1 118.9(4) . . ?
C19 O2 Li1 118.9(4) . . ?
Li2 O2 Li1 82.8(4) . . ?
C1 N1 P1 130.0(3) . . ?
C1 N1 Li2 119.9(4) . . ?
P1 N1 Li2 100.8(3) . . ?
C1 N1 Li1 122.7(4) . . ?
P1 N1 Li1 85.4(3) . . ?
Li2 N1 Li1 86.0(4) . . ?
C5 N2 P1 129.6(3) . . ?
C5 N2 Li1 133.0(4) . . ?
P1 N2 Li1 89.5(3) . . ?
N1 C1 C3 113.7(5) . . ?
N1 C1 C2 111.9(4) . . ?
C3 C1 C2 109.3(6) . . ?
N1 C1 C4 106.1(4) . . ?
C3 C1 C4 107.8(5) . . ?
C2 C1 C4 107.7(5) . . ?
N2 C5 C7 115.5(4) . . ?
N2 C5 C8 107.3(4) . . ?
C7 C5 C8 107.9(4) . . ?
N2 C5 C6 108.9(4) . . ?
C7 C5 C6 108.5(4) . . ?
C8 C5 C6 108.5(4) . . ?
C10 C9 C14 118.8(5) . . ?
C10 C9 P1 123.2(5) . . ?
C14 C9 P1 118.0(4) . . ?
C9 C10 C11 119.3(8) . . ?
C12 C11 C10 120.8(7) . . ?
C13 C12 C11 120.3(6) . . ?
C12 C13 C14 119.8(8) . . ?
C13 C14 C9 121.0(7) . . ?
O1 C15 C16 106.0(9) . . ?
C15 C16 C17 105.7(9) . . ?
C18 C17 C16 103.1(11) . . ?
O1 C18 C17 104.9(9) . . ?
O2 C19 C20 105.9(5) . . ?
C21 C20 C19 105.5(5) . . ?
C22 C21 C20 104.7(7) . . ?
O2 C22 C21 106.9(5) . . ?
O1 Li1 N2 119.9(5) . . ?
O1 Li1 N1 142.4(5) . . ?
N2 Li1 N1 76.8(3) . . ?
O1 Li1 O2 102.9(4) . . ?
N2 Li1 O2 121.9(4) . . ?
N1 Li1 O2 92.9(4) . . ?
O1 Li1 P1 151.9(5) . . ?
N2 Li1 P1 38.74(18) . . ?
N1 Li1 P1 39.23(18) . . ?
O2 Li1 P1 105.0(3) . . ?
O1 Li1 Li2 143.5(5) . . ?
N2 Li1 Li2 96.4(4) . . ?
N1 Li1 Li2 45.6(3) . . ?
O2 Li1 Li2 48.0(3) . . ?
P1 Li1 Li2 62.9(3) . . ?
N1 Li2 O2 96.8(4) . . ?
N1 Li2 Te1 126.6(4) . 2_767 ?
O2 Li2 Te1 116.9(4) . 2_767 ?
N1 Li2 P1 34.52(18) . . ?
O2 Li2 P1 97.8(3) . . ?
Te1 Li2 P1 144.5(3) 2_767 . ?
N1 Li2 Li1 48.4(3) . . ?
O2 Li2 Li1 49.1(3) . . ?
Te1 Li2 Li1 149.0(4) 2_767 . ?
P1 Li2 Li1 54.1(2) . . ?
N1 Li2 Te1 85.0(3) . . ?
O2 Li2 Te1 111.4(4) . . ?
Te1 Li2 Te1 115.4(3) 2_767 . ?
P1 Li2 Te1 52.32(16) . . ?
Li1 Li2 Te1 95.3(3) . . ?
N1 Li2 Li2 118.0(5) . 2_767 ?
O2 Li2 Li2 139.7(6) . 2_767 ?
Te1 Li2 Li2 58.6(3) 2_767 2_767 ?
P1 Li2 Li2 100.1(4) . 2_767 ?
Li1 Li2 Li2 151.8(5) . 2_767 ?
Te1 Li2 Li2 56.8(3) . 2_767 ?
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
Te1 P1 2.4935(12) . ?
Te1 Li2 2.792(9) 2_767 ?
Te1 Li2 2.848(9) . ?
P1 N2 1.597(4) . ?
P1 N1 1.619(4) . ?
P1 C9 1.840(5) . ?
P1 Li1 2.552(8) . ?
P1 Li2 2.807(9) . ?
O1 C18 1.423(10) . ?
O1 C15 1.441(10) . ?
O1 Li1 1.937(9) . ?
O2 C22 1.445(7) . ?
O2 C19 1.470(6) . ?
O2 Li2 2.104(9) . ?
O2 Li1 2.140(10) . ?
N1 C1 1.476(6) . ?
N1 Li2 2.010(10) . ?
N1 Li1 2.106(9) . ?
N2 C5 1.466(6) . ?
N2 Li1 2.005(9) . ?
C1 C3 1.528(8) . ?
C1 C2 1.529(8) . ?
C1 C4 1.534(7) . ?
C5 C7 1.536(7) . ?
C5 C8 1.536(7) . ?
C5 C6 1.540(7) . ?
C9 C10 1.393(8) . ?
C9 C14 1.402(8) . ?
C10 C11 1.404(10) . ?
C11 C12 1.379(14) . ?
C12 C13 1.370(14) . ?
C13 C14 1.388(9) . ?
C15 C16 1.487(14) . ?
C16 C17 1.51(2) . ?
C17 C18 1.485(14) . ?
C19 C20 1.506(10) . ?
C20 C21 1.481(11) . ?
C21 C22 1.464(10) . ?
Li1 Li2 2.808(12) . ?
Li2 Te1 2.792(9) 2_767 ?
Li2 Li2 3.014(17) 2_767 ?
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
Li2 Te1 P1 N2 138.8(3) 2_767 . . . ?
Li2 Te1 P1 N2 99.4(3) . . . . ?
Li2 Te1 P1 N1 23.7(2) 2_767 . . . ?
Li2 Te1 P1 N1 -15.8(2) . . . . ?
Li2 Te1 P1 C9 -99.5(3) 2_767 . . . ?
Li2 Te1 P1 C9 -138.9(3) . . . . ?
Li2 Te1 P1 Li1 82.4(3) 2_767 . . . ?
Li2 Te1 P1 Li1 42.9(3) . . . . ?
Li2 Te1 P1 Li2 39.5(4) 2_767 . . . ?
N2 P1 N1 C1 114.7(4) . . . . ?
C9 P1 N1 C1 -7.8(5) . . . . ?
Te1 P1 N1 C1 -124.7(4) . . . . ?
Li1 P1 N1 C1 129.8(5) . . . . ?
Li2 P1 N1 C1 -145.2(6) . . . . ?
N2 P1 N1 Li2 -100.1(3) . . . . ?
C9 P1 N1 Li2 137.3(3) . . . . ?
Te1 P1 N1 Li2 20.4(3) . . . . ?
Li1 P1 N1 Li2 -85.0(4) . . . . ?
N2 P1 N1 Li1 -15.1(3) . . . . ?
C9 P1 N1 Li1 -137.6(3) . . . . ?
Te1 P1 N1 Li1 105.5(3) . . . . ?
Li2 P1 N1 Li1 85.0(4) . . . . ?
N1 P1 N2 C5 167.1(4) . . . . ?
C9 P1 N2 C5 -67.6(5) . . . . ?
Te1 P1 N2 C5 51.0(4) . . . . ?
Li1 P1 N2 C5 151.3(6) . . . . ?
Li2 P1 N2 C5 120.4(4) . . . . ?
N1 P1 N2 Li1 15.8(3) . . . . ?
C9 P1 N2 Li1 141.1(3) . . . . ?
Te1 P1 N2 Li1 -100.3(3) . . . . ?
Li2 P1 N2 Li1 -30.8(4) . . . . ?
P1 N1 C1 C3 -52.8(7) . . . . ?
Li2 N1 C1 C3 167.5(5) . . . . ?
Li1 N1 C1 C3 61.7(7) . . . . ?
P1 N1 C1 C2 71.7(6) . . . . ?
Li2 N1 C1 C2 -68.0(6) . . . . ?
Li1 N1 C1 C2 -173.8(5) . . . . ?
P1 N1 C1 C4 -171.1(4) . . . . ?
Li2 N1 C1 C4 49.2(6) . . . . ?
Li1 N1 C1 C4 -56.6(6) . . . . ?
P1 N2 C5 C7 22.2(6) . . . . ?
Li1 N2 C5 C7 161.1(5) . . . . ?
P1 N2 C5 C8 142.5(4) . . . . ?
Li1 N2 C5 C8 -78.5(6) . . . . ?
P1 N2 C5 C6 -100.2(5) . . . . ?
Li1 N2 C5 C6 38.8(7) . . . . ?
N2 P1 C9 C10 152.7(4) . . . . ?
N1 P1 C9 C10 -87.9(5) . . . . ?
Te1 P1 C9 C10 29.6(5) . . . . ?
Li1 P1 C9 C10 -153.3(5) . . . . ?
Li2 P1 C9 C10 -39.3(7) . . . . ?
N2 P1 C9 C14 -28.3(5) . . . . ?
N1 P1 C9 C14 91.1(5) . . . . ?
Te1 P1 C9 C14 -151.4(4) . . . . ?
Li1 P1 C9 C14 25.7(7) . . . . ?
Li2 P1 C9 C14 139.6(5) . . . . ?
C14 C9 C10 C11 -0.4(8) . . . . ?
P1 C9 C10 C11 178.6(4) . . . . ?
C9 C10 C11 C12 0.5(9) . . . . ?
C10 C11 C12 C13 -0.3(11) . . . . ?
C11 C12 C13 C14 0.1(11) . . . . ?
C12 C13 C14 C9 0.0(10) . . . . ?
C10 C9 C14 C13 0.1(9) . . . . ?
P1 C9 C14 C13 -178.9(5) . . . . ?
C18 O1 C15 C16 11.9(13) . . . . ?
Li1 O1 C15 C16 -147.0(10) . . . . ?
O1 C15 C16 C17 9.3(17) . . . . ?
C15 C16 C17 C18 -25.8(18) . . . . ?
C15 O1 C18 C17 -28.6(13) . . . . ?
Li1 O1 C18 C17 127.0(10) . . . . ?
C16 C17 C18 O1 33.0(15) . . . . ?
C22 O2 C19 C20 -2.2(7) . . . . ?
Li2 O2 C19 C20 124.8(6) . . . . ?
Li1 O2 C19 C20 -141.6(6) . . . . ?
O2 C19 C20 C21 -16.0(9) . . . . ?
C19 C20 C21 C22 27.9(10) . . . . ?
C19 O2 C22 C21 19.9(8) . . . . ?
Li2 O2 C22 C21 -104.9(7) . . . . ?
Li1 O2 C22 C21 159.4(6) . . . . ?
C20 C21 C22 O2 -29.8(10) . . . . ?
C18 O1 Li1 N2 -106.9(8) . . . . ?
C15 O1 Li1 N2 47.2(8) . . . . ?
C18 O1 Li1 N1 144.9(9) . . . . ?
C15 O1 Li1 N1 -61.0(10) . . . . ?
C18 O1 Li1 O2 32.3(9) . . . . ?
C15 O1 Li1 O2 -173.6(5) . . . . ?
C18 O1 Li1 P1 -140.4(10) . . . . ?
C15 O1 Li1 P1 13.7(13) . . . . ?
C18 O1 Li1 Li2 64.9(11) . . . . ?
C15 O1 Li1 Li2 -141.0(8) . . . . ?
C5 N2 Li1 O1 54.9(8) . . . . ?
P1 N2 Li1 O1 -155.4(5) . . . . ?
C5 N2 Li1 N1 -161.6(5) . . . . ?
P1 N2 Li1 N1 -12.0(3) . . . . ?
C5 N2 Li1 O2 -76.5(7) . . . . ?
P1 N2 Li1 O2 73.1(5) . . . . ?
C5 N2 Li1 P1 -149.6(6) . . . . ?
C5 N2 Li1 Li2 -120.2(5) . . . . ?
P1 N2 Li1 Li2 29.4(3) . . . . ?
C1 N1 Li1 O1 -1.6(10) . . . . ?
P1 N1 Li1 O1 134.0(8) . . . . ?
Li2 N1 Li1 O1 -124.8(8) . . . . ?
C1 N1 Li1 N2 -123.8(4) . . . . ?
P1 N1 Li1 N2 11.9(2) . . . . ?
Li2 N1 Li1 N2 113.0(4) . . . . ?
C1 N1 Li1 O2 114.1(4) . . . . ?
P1 N1 Li1 O2 -110.3(3) . . . . ?
Li2 N1 Li1 O2 -9.1(4) . . . . ?
C1 N1 Li1 P1 -135.6(5) . . . . ?
Li2 N1 Li1 P1 101.1(3) . . . . ?
C1 N1 Li1 Li2 123.2(5) . . . . ?
P1 N1 Li1 Li2 -101.1(3) . . . . ?
C22 O2 Li1 O1 -91.1(5) . . . . ?
C19 O2 Li1 O1 44.0(6) . . . . ?
Li2 O2 Li1 O1 154.4(5) . . . . ?
C22 O2 Li1 N2 47.1(7) . . . . ?
C19 O2 Li1 N2 -177.8(4) . . . . ?
Li2 O2 Li1 N2 -67.4(5) . . . . ?
C22 O2 Li1 N1 123.3(4) . . . . ?
C19 O2 Li1 N1 -101.6(4) . . . . ?
Li2 O2 Li1 N1 8.8(3) . . . . ?
C22 O2 Li1 P1 85.4(5) . . . . ?
C19 O2 Li1 P1 -139.5(4) . . . . ?
Li2 O2 Li1 P1 -29.1(4) . . . . ?
C22 O2 Li1 Li2 114.5(5) . . . . ?
C19 O2 Li1 Li2 -110.4(5) . . . . ?
N2 P1 Li1 O1 49.9(9) . . . . ?
N1 P1 Li1 O1 -111.5(10) . . . . ?
C9 P1 Li1 O1 -24.1(12) . . . . ?
Te1 P1 Li1 O1 152.9(9) . . . . ?
Li2 P1 Li1 O1 -163.4(11) . . . . ?
N1 P1 Li1 N2 -161.4(4) . . . . ?
C9 P1 Li1 N2 -74.0(5) . . . . ?
Te1 P1 Li1 N2 103.0(3) . . . . ?
Li2 P1 Li1 N2 146.8(4) . . . . ?
N2 P1 Li1 N1 161.4(4) . . . . ?
C9 P1 Li1 N1 87.4(4) . . . . ?
Te1 P1 Li1 N1 -95.6(2) . . . . ?
Li2 P1 Li1 N1 -51.9(3) . . . . ?
N2 P1 Li1 O2 -122.8(5) . . . . ?
N1 P1 Li1 O2 75.8(3) . . . . ?
C9 P1 Li1 O2 163.2(3) . . . . ?
Te1 P1 Li1 O2 -19.8(4) . . . . ?
Li2 P1 Li1 O2 24.0(3) . . . . ?
N2 P1 Li1 Li2 -146.8(4) . . . . ?
N1 P1 Li1 Li2 51.9(3) . . . . ?
C9 P1 Li1 Li2 139.2(4) . . . . ?
Te1 P1 Li1 Li2 -43.7(3) . . . . ?
C1 N1 Li2 O2 -116.4(4) . . . . ?
P1 N1 Li2 O2 93.9(3) . . . . ?
Li1 N1 Li2 O2 9.4(4) . . . . ?
C1 N1 Li2 Te1 14.5(7) . . . 2_767 ?
P1 N1 Li2 Te1 -135.2(4) . . . 2_767 ?
Li1 N1 Li2 Te1 140.2(5) . . . 2_767 ?
C1 N1 Li2 P1 149.7(5) . . . . ?
Li1 N1 Li2 P1 -84.6(3) . . . . ?
C1 N1 Li2 Li1 -125.7(5) . . . . ?
P1 N1 Li2 Li1 84.6(3) . . . . ?
C1 N1 Li2 Te1 132.6(4) . . . . ?
P1 N1 Li2 Te1 -17.1(3) . . . . ?
Li1 N1 Li2 Te1 -101.7(3) . . . . ?
C1 N1 Li2 Li2 84.6(6) . . . 2_767 ?
P1 N1 Li2 Li2 -65.1(6) . . . 2_767 ?
Li1 N1 Li2 Li2 -149.7(6) . . . 2_767 ?
C22 O2 Li2 N1 -127.8(4) . . . . ?
C19 O2 Li2 N1 109.0(4) . . . . ?
Li1 O2 Li2 N1 -9.3(4) . . . . ?
C22 O2 Li2 Te1 95.1(5) . . . 2_767 ?
C19 O2 Li2 Te1 -28.1(6) . . . 2_767 ?
Li1 O2 Li2 Te1 -146.4(4) . . . 2_767 ?
C22 O2 Li2 P1 -93.0(4) . . . . ?
C19 O2 Li2 P1 143.8(4) . . . . ?
Li1 O2 Li2 P1 25.5(3) . . . . ?
C22 O2 Li2 Li1 -118.6(5) . . . . ?
C19 O2 Li2 Li1 118.2(5) . . . . ?
C22 O2 Li2 Te1 -40.5(5) . . . . ?
C19 O2 Li2 Te1 -163.7(4) . . . . ?
Li1 O2 Li2 Te1 78.0(4) . . . . ?
C22 O2 Li2 Li2 22.9(10) . . . 2_767 ?
C19 O2 Li2 Li2 -100.3(9) . . . 2_767 ?
Li1 O2 Li2 Li2 141.5(9) . . . 2_767 ?
N2 P1 Li2 N1 93.8(3) . . . . ?
C9 P1 Li2 N1 -74.4(5) . . . . ?
Te1 P1 Li2 N1 -158.3(3) . . . . ?
Li1 P1 Li2 N1 66.9(3) . . . . ?
N2 P1 Li2 O2 3.1(4) . . . . ?
N1 P1 Li2 O2 -90.6(4) . . . . ?
C9 P1 Li2 O2 -165.0(3) . . . . ?
Te1 P1 Li2 O2 111.1(3) . . . . ?
Li1 P1 Li2 O2 -23.7(3) . . . . ?
N2 P1 Li2 Te1 170.6(5) . . . 2_767 ?
N1 P1 Li2 Te1 76.9(6) . . . 2_767 ?
C9 P1 Li2 Te1 2.5(8) . . . 2_767 ?
Te1 P1 Li2 Te1 -81.4(6) . . . 2_767 ?
Li1 P1 Li2 Te1 143.8(7) . . . 2_767 ?
N2 P1 Li2 Li1 26.9(3) . . . . ?
N1 P1 Li2 Li1 -66.9(3) . . . . ?
C9 P1 Li2 Li1 -141.3(4) . . . . ?
Te1 P1 Li2 Li1 134.8(3) . . . . ?
N2 P1 Li2 Te1 -107.93(18) . . . . ?
N1 P1 Li2 Te1 158.3(3) . . . . ?
C9 P1 Li2 Te1 83.9(4) . . . . ?
Li1 P1 Li2 Te1 -134.8(3) . . . . ?
N2 P1 Li2 Li2 -140.7(4) . . . 2_767 ?
N1 P1 Li2 Li2 125.6(5) . . . 2_767 ?
C9 P1 Li2 Li2 51.2(6) . . . 2_767 ?
Te1 P1 Li2 Li2 -32.7(3) . . . 2_767 ?
Li1 P1 Li2 Li2 -167.6(5) . . . 2_767 ?
O1 Li1 Li2 N1 122.7(9) . . . . ?
N2 Li1 Li2 N1 -64.4(4) . . . . ?
O2 Li1 Li2 N1 167.7(5) . . . . ?
P1 Li1 Li2 N1 -44.2(2) . . . . ?
O1 Li1 Li2 O2 -44.9(8) . . . . ?
N2 Li1 Li2 O2 128.0(5) . . . . ?
N1 Li1 Li2 O2 -167.7(5) . . . . ?
P1 Li1 Li2 O2 148.2(4) . . . . ?
O1 Li1 Li2 Te1 28.8(13) . . . 2_767 ?
N2 Li1 Li2 Te1 -158.3(6) . . . 2_767 ?
N1 Li1 Li2 Te1 -94.0(8) . . . 2_767 ?
O2 Li1 Li2 Te1 73.7(7) . . . 2_767 ?
P1 Li1 Li2 Te1 -138.1(7) . . . 2_767 ?
O1 Li1 Li2 P1 166.9(9) . . . . ?
N2 Li1 Li2 P1 -20.2(2) . . . . ?
N1 Li1 Li2 P1 44.2(2) . . . . ?
O2 Li1 Li2 P1 -148.2(4) . . . . ?
O1 Li1 Li2 Te1 -158.8(7) . . . . ?
N2 Li1 Li2 Te1 14.1(4) . . . . ?
N1 Li1 Li2 Te1 78.5(3) . . . . ?
O2 Li1 Li2 Te1 -113.8(4) . . . . ?
P1 Li1 Li2 Te1 34.32(19) . . . . ?
O1 Li1 Li2 Li2 -166.4(9) . . . 2_767 ?
N2 Li1 Li2 Li2 6.5(12) . . . 2_767 ?
N1 Li1 Li2 Li2 70.9(11) . . . 2_767 ?
O2 Li1 Li2 Li2 -121.4(12) . . . 2_767 ?
P1 Li1 Li2 Li2 26.7(11) . . . 2_767 ?
P1 Te1 Li2 N1 12.15(18) . . . . ?
Li2 Te1 Li2 N1 -128.3(5) 2_767 . . . ?
P1 Te1 Li2 O2 -83.2(4) . . . . ?
Li2 Te1 Li2 O2 136.3(6) 2_767 . . . ?
P1 Te1 Li2 Te1 140.5(4) . . . 2_767 ?
Li2 Te1 Li2 Te1 0.0 2_767 . . 2_767 ?
Li2 Te1 Li2 P1 -140.5(4) 2_767 . . . ?
P1 Te1 Li2 Li1 -35.2(2) . . . . ?
Li2 Te1 Li2 Li1 -175.7(5) 2_767 . . . ?
P1 Te1 Li2 Li2 140.5(4) . . . 2_767 ?
