#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/09/7110994.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7110994
loop_
_publ_author_name
'Bashall, Alan'
'McPartlin, Mary'
'Elvidge, Benjamin R.'
'Beswick, Michael A.'
'Kidd, Sara J.'
'Wright, Dominic S.'
_publ_section_title
;
 Synthesis and structure of [(ButN)P(μ-NBut)2P(PCy)Li2·thf]2; an
 unusual cage compound containing an amido/phosphido functionalised
 [(ButN)P(μ-NBut)2P(PCy)]2− dianion (Cy = C6H11)
;
_journal_issue                   15
_journal_name_full               'Chemical Communications'
_journal_page_first              1439
_journal_paper_doi               10.1039/b003468l
_journal_year                    2000
_chemical_formula_sum            'C24 H50 Li2 N3 O1.5 P3'
_chemical_formula_weight         511.46
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.46(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.679(2)
_cell_length_b                   21.224(8)
_cell_length_c                   13.847(3)
_cell_measurement_temperature    223(2)
_cell_volume                     3124.2(15)
_computing_cell_refinement       'Bruker XSCANS '
_computing_data_collection       'Bruker XSCANS '
_computing_data_reduction        'Bruker XSCANS '
_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      223(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       theta/2theta
_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  0.0749
_diffrn_reflns_av_sigmaI/netI    0.1161
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       1
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4884
_diffrn_reflns_theta_full        22.00
_diffrn_reflns_theta_max         22.00
_diffrn_reflns_theta_min         1.92
_diffrn_standards_decay_%        0.2
_diffrn_standards_interval_count 93
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.211
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.087
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.338
_refine_diff_density_min         -0.345
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.937
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         3836
_refine_ls_number_restraints     66
_refine_ls_restrained_S_all      0.934
_refine_ls_R_factor_all          0.1543
_refine_ls_R_factor_gt           0.0769
_refine_ls_shift/su_max          1.995
_refine_ls_shift/su_mean         0.101
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1273P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1866
_refine_ls_wR_factor_ref         0.2419
_reflns_number_gt                1761
_reflns_number_total             3836
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b003468lsup1.cif
_cod_data_source_block           tx420
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        3124.0(15)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C24 H50 Li2 N3 O1.50 P3'
_cod_database_code               7110994
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.51907(17) 0.16920(9) 0.39093(12) 0.0491(6) Uani 1 1 d . A .
P2 P 0.42145(17) 0.14557(9) 0.55736(13) 0.0496(6) Uani 1 1 d . . .
P3 P 0.53082(18) 0.06861(9) 0.62548(13) 0.0520(6) Uani 1 1 d . . .
N1 N 0.6374(5) 0.1191(3) 0.3919(4) 0.0480(15) Uani 1 1 d D A .
C1 C 0.7249(6) 0.1221(3) 0.3149(4) 0.057(2) Uani 1 1 d D . .
C11 C 0.8198(7) 0.0680(4) 0.3357(6) 0.078(3) Uani 1 1 d D . .
H11A H 0.8680 0.0752 0.3977 0.117 Uiso 1 1 calc R . .
H11B H 0.8762 0.0664 0.2849 0.117 Uiso 1 1 calc R . .
H11C H 0.7749 0.0284 0.3377 0.117 Uiso 1 1 calc R . .
C12 C 0.7992(8) 0.1837(4) 0.3188(7) 0.087(3) Uani 1 1 d D . .
H12A H 0.7422 0.2186 0.3033 0.131 Uiso 1 1 calc R . .
H12B H 0.8614 0.1822 0.2722 0.131 Uiso 1 1 calc R . .
H12C H 0.8411 0.1895 0.3835 0.131 Uiso 1 1 calc R . .
C13 C 0.6551(8) 0.1122(5) 0.2152(5) 0.093(3) Uani 1 1 d D . .
H13A H 0.6092 0.0727 0.2144 0.140 Uiso 1 1 calc R . .
H13B H 0.7149 0.1110 0.1668 0.140 Uiso 1 1 calc R . .
H13C H 0.5965 0.1466 0.2009 0.140 Uiso 1 1 calc R . .
N2 N 0.5358(5) 0.1960(2) 0.5138(4) 0.0459(14) Uani 1 1 d D . .
C2 C 0.5372(6) 0.2650(3) 0.5375(5) 0.058(2) Uani 1 1 d D . .
C21 C 0.5638(8) 0.2714(4) 0.6472(5) 0.078(3) Uani 1 1 d D . .
H21A H 0.4986 0.2500 0.6788 0.117 Uiso 1 1 calc R . .
H21B H 0.5650 0.3156 0.6648 0.117 Uiso 1 1 calc R . .
H21C H 0.6448 0.2527 0.6678 0.117 Uiso 1 1 calc R . .
C22 C 0.4119(7) 0.2974(4) 0.5060(7) 0.083(3) Uani 1 1 d D . .
H22A H 0.3949 0.2948 0.4361 0.124 Uiso 1 1 calc R . .
H22B H 0.4164 0.3413 0.5256 0.124 Uiso 1 1 calc R . .
H22C H 0.3448 0.2767 0.5365 0.124 Uiso 1 1 calc R . .
C23 C 0.6424(8) 0.2965(4) 0.4881(6) 0.079(2) Uani 1 1 d D . .
H23A H 0.7222 0.2771 0.5103 0.118 Uiso 1 1 calc R . .
H23B H 0.6452 0.3410 0.5040 0.118 Uiso 1 1 calc R . .
H23C H 0.6266 0.2914 0.4183 0.118 Uiso 1 1 calc R . .
N3 N 0.4065(5) 0.1171(2) 0.4365(3) 0.0448(14) Uani 1 1 d D A .
C3 C 0.2751(6) 0.1111(3) 0.3868(5) 0.056(2) Uani 1 1 d D . .
C31 C 0.2048(6) 0.0619(4) 0.4426(6) 0.070(2) Uani 1 1 d D . .
H31A H 0.2476 0.0217 0.4411 0.105 Uiso 1 1 calc R . .
H31B H 0.1194 0.0576 0.4126 0.105 Uiso 1 1 calc R . .
H31C H 0.2030 0.0755 0.5094 0.105 Uiso 1 1 calc R . .
C32 C 0.2870(7) 0.0882(4) 0.2828(5) 0.074(2) Uani 1 1 d D . .
H32A H 0.3367 0.1180 0.2497 0.111 Uiso 1 1 calc R . .
H32B H 0.2039 0.0847 0.2482 0.111 Uiso 1 1 calc R . .
H32C H 0.3278 0.0473 0.2848 0.111 Uiso 1 1 calc R . .
C33 C 0.2038(7) 0.1732(4) 0.3834(6) 0.074(2) Uani 1 1 d D . .
H33A H 0.2040 0.1900 0.4486 0.110 Uiso 1 1 calc R . .
H33B H 0.1177 0.1663 0.3564 0.110 Uiso 1 1 calc R . .
H33C H 0.2442 0.2030 0.3431 0.110 Uiso 1 1 calc R . .
C41 C 0.5153(6) 0.0789(5) 0.7581(5) 0.076(3) Uani 1 1 d D . .
H41A H 0.5327 0.0368 0.7872 0.091 Uiso 0.765(10) 1 calc PR A 1
H41B H 0.5014 0.1249 0.7606 0.091 Uiso 0.235(10) 1 calc PR A 2
C42 C 0.3884(9) 0.0960(6) 0.7842(6) 0.062(3) Uiso 0.765(10) 1 d PD A 1
H42A H 0.3256 0.0682 0.7501 0.074 Uiso 0.765(10) 1 calc PR A 1
H42B H 0.3689 0.1394 0.7637 0.074 Uiso 0.765(10) 1 calc PR A 1
C42' C 0.401(2) 0.0561(15) 0.7995(17) 0.062(3) Uiso 0.235(10) 1 d PD A 2
H42C H 0.4075 0.0105 0.8107 0.074 Uiso 0.235(10) 1 calc PR A 2
H42D H 0.3272 0.0636 0.7529 0.074 Uiso 0.235(10) 1 calc PR A 2
C43 C 0.3814(10) 0.0900(6) 0.8972(6) 0.129(4) Uani 1 1 d D . .
H43A H 0.2980 0.1031 0.9137 0.155 Uiso 0.765(10) 1 calc PR A 1
H43B H 0.3947 0.0461 0.9173 0.155 Uiso 0.765(10) 1 calc PR A 1
H43C H 0.3058 0.1161 0.8852 0.155 Uiso 0.235(10) 1 calc PR A 2
H43D H 0.3615 0.0572 0.9430 0.155 Uiso 0.235(10) 1 calc PR A 2
C44 C 0.4759(10) 0.1291(7) 0.9469(8) 0.150(5) Uani 1 1 d D A .
H44A H 0.4758 0.1210 1.0166 0.180 Uiso 0.765(10) 1 calc PR A 1
H44B H 0.4506 0.1731 0.9359 0.180 Uiso 0.765(10) 1 calc PR A 1
H44C H 0.4640 0.1352 1.0156 0.180 Uiso 0.235(10) 1 calc PR A 2
H44D H 0.4855 0.1698 0.9150 0.180 Uiso 0.235(10) 1 calc PR A 2
C45 C 0.6039(11) 0.1228(7) 0.9224(8) 0.094(4) Uiso 0.765(10) 1 d PD A 1
H45A H 0.6405 0.0838 0.9504 0.113 Uiso 0.765(10) 1 calc PR A 1
H45B H 0.6543 0.1583 0.9498 0.113 Uiso 0.765(10) 1 calc PR A 1
C45' C 0.578(3) 0.0842(19) 0.931(2) 0.094(4) Uiso 0.235(10) 1 d PD A 2
H45C H 0.5515 0.0431 0.9546 0.113 Uiso 0.235(10) 1 calc PR A 2
H45D H 0.6512 0.0971 0.9748 0.113 Uiso 0.235(10) 1 calc PR A 2
C46 C 0.6068(10) 0.1217(6) 0.8111(7) 0.073(3) Uiso 0.765(10) 1 d PD A 1
H46A H 0.5913 0.1645 0.7863 0.088 Uiso 0.765(10) 1 calc PR A 1
H46B H 0.6915 0.1095 0.7965 0.088 Uiso 0.765(10) 1 calc PR A 1
C46' C 0.626(2) 0.0728(19) 0.8291(17) 0.073(3) Uiso 0.235(10) 1 d PD A 2
H46C H 0.6898 0.1041 0.8164 0.088 Uiso 0.235(10) 1 calc PR A 2
H46D H 0.6628 0.0307 0.8259 0.088 Uiso 0.235(10) 1 calc PR A 2
O5 O 0.8609(5) 0.1487(3) 0.6016(4) 0.0769(16) Uani 1 1 d D . .
C52 C 0.969(2) 0.1839(17) 0.5801(17) 0.091(4) Uiso 0.297(13) 1 d PD B 3
H52A H 0.9466 0.2276 0.5631 0.109 Uiso 0.297(13) 1 calc PR B 3
H52B H 1.0087 0.1648 0.5261 0.109 Uiso 0.297(13) 1 calc PR B 3
C52' C 0.9365(11) 0.2038(6) 0.6187(12) 0.091(4) Uiso 0.703(13) 1 d PD B 4
H52C H 0.8947 0.2343 0.6580 0.109 Uiso 0.703(13) 1 calc PR B 4
H52D H 0.9525 0.2238 0.5573 0.109 Uiso 0.703(13) 1 calc PR B 4
C53 C 1.0563(9) 0.1815(6) 0.6716(8) 0.115(4) Uani 1 1 d D . .
H53A H 1.1445 0.1836 0.6576 0.137 Uiso 0.297(13) 1 calc PR B 3
H53B H 1.0391 0.2160 0.7154 0.137 Uiso 0.297(13) 1 calc PR B 3
H53C H 1.1218 0.1771 0.6270 0.137 Uiso 0.703(13) 1 calc PR B 4
H53D H 1.0856 0.2113 0.7229 0.137 Uiso 0.703(13) 1 calc PR B 4
C54 C 1.0280(10) 0.1213(6) 0.7124(9) 0.129(4) Uani 1 1 d D B .
H54A H 1.0547 0.1200 0.7821 0.155 Uiso 0.297(13) 1 calc PR B 3
H54B H 1.0692 0.0870 0.6802 0.155 Uiso 0.297(13) 1 calc PR B 3
H54C H 0.9999 0.1268 0.7772 0.155 Uiso 0.703(13) 1 calc PR B 4
H54D H 1.1027 0.0942 0.7177 0.155 Uiso 0.703(13) 1 calc PR B 4
C55 C 0.8896(17) 0.1167(15) 0.6942(17) 0.080(4) Uiso 0.297(13) 1 d PD B 3
H55A H 0.8625 0.0726 0.6901 0.095 Uiso 0.297(13) 1 calc PR B 3
H55B H 0.8484 0.1377 0.7457 0.095 Uiso 0.297(13) 1 calc PR B 3
C55' C 0.9259(12) 0.0927(5) 0.6454(10) 0.080(4) Uiso 0.703(13) 1 d PD B 4
H55C H 0.9605 0.0665 0.5960 0.095 Uiso 0.703(13) 1 calc PR B 4
H55D H 0.8691 0.0671 0.6809 0.095 Uiso 0.703(13) 1 calc PR B 4
Li1 Li 0.6929(11) 0.1359(6) 0.5386(9) 0.057(3) Uani 1 1 d . A .
Li2 Li 0.5380(11) 0.0442(6) 0.4214(8) 0.056(3) Uani 1 1 d . . .
C4S C 0.8920(15) 0.0000(7) 0.9529(13) 0.157(5) Uani 1 1 d . . .
C1S C 1.0854(16) -0.0015(7) 0.9397(12) 0.154(5) Uani 1 1 d . . .
O1S O 0.977(2) -0.0219(11) 0.8966(12) 0.149(7) Uani 0.50 1 d P . .
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'
N N 0.0061 0.0033 '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'
O O 0.0106 0.0060 '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
N1 P1 N2 101.0(3) . .
N1 P1 N3 97.9(3) . .
N2 P1 N3 82.6(2) . .
N1 P1 P2 103.51(19) . .
N2 P1 P2 41.31(18) . .
N3 P1 P2 41.30(16) . .
N1 P1 Li2 47.0(3) . .
N2 P1 Li2 99.5(3) . .
N3 P1 Li2 51.6(3) . .
P2 P1 Li2 73.1(3) . .
N1 P1 Li1 50.2(3) . .
N2 P1 Li1 50.8(3) . .
N3 P1 Li1 90.4(3) . .
P2 P1 Li1 66.2(2) . .
Li2 P1 Li1 65.8(4) . .
N3 P2 N2 83.6(2) . .
N3 P2 P3 98.60(19) . .
N2 P2 P3 104.07(19) . .
N3 P2 P1 41.89(17) . .
N2 P2 P1 41.70(17) . .
P3 P2 P1 106.18(9) . .
N3 P2 Li1 83.9(3) . .
N2 P2 Li1 45.2(3) . .
P3 P2 Li1 59.5(2) . .
P1 P2 Li1 57.8(2) . .
C41 P3 P2 104.2(3) . .
C41 P3 Li2 107.8(4) . 3_656
P2 P3 Li2 117.5(3) . 3_656
C41 P3 Li1 120.7(4) . .
P2 P3 Li1 75.1(3) . .
Li2 P3 Li1 125.2(4) 3_656 .
C41 P3 Li2 174.9(4) . .
P2 P3 Li2 76.8(2) . .
Li2 P3 Li2 67.6(4) 3_656 .
Li1 P3 Li2 64.4(4) . .
C1 N1 P1 120.0(4) . .
C1 N1 Li2 124.8(6) . .
P1 N1 Li2 95.4(4) . .
C1 N1 Li1 123.4(5) . .
P1 N1 Li1 92.5(4) . .
Li2 N1 Li1 92.6(5) . .
N1 C1 C13 111.0(6) . .
N1 C1 C12 111.8(6) . .
C13 C1 C12 111.0(7) . .
N1 C1 C11 106.3(5) . .
C13 C1 C11 109.0(6) . .
C12 C1 C11 107.5(6) . .
C2 N2 P2 120.5(4) . .
C2 N2 P1 121.2(4) . .
P2 N2 P1 97.0(3) . .
C2 N2 Li1 124.3(5) . .
P2 N2 Li1 98.2(4) . .
P1 N2 Li1 88.2(4) . .
N2 C2 C23 108.8(6) . .
N2 C2 C21 107.6(6) . .
C23 C2 C21 109.4(6) . .
N2 C2 C22 112.7(6) . .
C23 C2 C22 109.6(6) . .
C21 C2 C22 108.6(6) . .
C3 N3 P2 117.1(4) . .
C3 N3 P1 121.1(4) . .
P2 N3 P1 96.8(2) . .
C3 N3 Li2 119.5(5) . .
P2 N3 Li2 110.0(4) . .
P1 N3 Li2 86.7(4) . .
N3 C3 C33 112.5(6) . .
N3 C3 C32 107.4(5) . .
C33 C3 C32 109.3(6) . .
N3 C3 C31 107.8(5) . .
C33 C3 C31 109.7(6) . .
C32 C3 C31 110.1(6) . .
C46' C41 C46 43.1(14) . .
C46' C41 C42 123.7(12) . .
C46 C41 C42 107.7(8) . .
C46' C41 C42' 110.7(19) . .
C46 C41 C42' 122.7(10) . .
C42 C41 C42' 34.6(13) . .
C46' C41 P3 120.4(12) . .
C46 C41 P3 116.3(6) . .
C42 C41 P3 115.8(5) . .
C42' C41 P3 119.7(9) . .
C41 C42 C43 110.6(7) . .
C41 C42' C43 111.4(12) . .
C44 C43 C42' 122.6(10) . .
C44 C43 C42 109.4(9) . .
C42' C43 C42 32.6(12) . .
C43 C44 C45 118.2(10) . .
C43 C44 C45' 93(2) . .
C45 C44 C45' 34.9(17) . .
C44 C45 C46 110.2(10) . .
C44 C45' C46' 123(2) . .
C41 C46 C45 115.5(9) . .
C41 C46' C45' 106(2) . .
C52' O5 C52 32.0(14) . .
C52' O5 C55 99.6(13) . .
C52 O5 C55 108.6(12) . .
C52' O5 C55' 110.8(7) . .
C52 O5 C55' 98.5(14) . .
C55 O5 C55' 38.1(12) . .
C52' O5 Li1 132.4(7) . .
C52 O5 Li1 135.3(9) . .
C55 O5 Li1 116.1(9) . .
C55' O5 Li1 116.8(6) . .
O5 C52 C53 104.7(12) . .
O5 C52' C53 105.5(9) . .
C54 C53 C52' 105.8(9) . .
C54 C53 C52 103.1(13) . .
C52' C53 C52 30.6(14) . .
C53 C54 C55 103.6(13) . .
C53 C54 C55' 106.6(9) . .
C55 C54 C55' 37.6(12) . .
O5 C55 C54 104.0(12) . .
O5 C55' C54 102.4(8) . .
O5 Li1 N1 128.8(6) . .
O5 Li1 N2 132.5(7) . .
N1 Li1 N2 78.3(4) . .
O5 Li1 P3 119.5(6) . .
N1 Li1 P3 102.4(5) . .
N2 Li1 P3 81.6(4) . .
O5 Li1 P1 147.0(6) . .
N1 Li1 P1 37.3(2) . .
N2 Li1 P1 41.0(2) . .
P3 Li1 P1 93.0(4) . .
O5 Li1 P2 145.9(6) . .
N1 Li1 P2 84.7(4) . .
N2 Li1 P2 36.6(2) . .
P3 Li1 P2 45.46(19) . .
P1 Li1 P2 56.0(2) . .
N1 Li2 N3 78.9(5) . .
N1 Li2 P3 147.5(6) . 3_656
N3 Li2 P3 122.0(5) . 3_656
N1 Li2 P1 37.7(3) . .
N3 Li2 P1 41.7(3) . .
P3 Li2 P1 149.7(5) 3_656 .
N1 Li2 P3 97.1(5) . .
N3 Li2 P3 72.0(4) . .
P3 Li2 P3 112.4(4) 3_656 .
P1 Li2 P3 88.2(4) . .
N1 Li2 Li2 146.1(8) . 3_656
N3 Li2 Li2 99.0(6) . 3_656
P3 Li2 Li2 61.1(4) 3_656 3_656
P1 Li2 Li2 134.4(7) . 3_656
P3 Li2 Li2 51.4(4) . 3_656
O1S C4S C1S 122.6(15) . 3_757
O1S C1S C4S 120.6(15) . 3_757
C1S O1S C4S 103.7(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 N1 1.651(5) .
P1 N2 1.787(5) .
P1 N3 1.792(5) .
P1 P2 2.666(3) .
P1 Li2 2.690(12) .
P1 Li1 2.721(12) .
P2 N3 1.772(5) .
P2 N2 1.773(6) .
P2 P3 2.171(3) .
P2 Li1 2.943(12) .
P3 C41 1.872(7) .
P3 Li2 2.570(12) 3_656
P3 Li1 2.624(12) .
P3 Li2 2.881(12) .
N1 C1 1.485(7) .
N1 Li2 1.975(13) .
N1 Li1 2.091(13) .
C1 C13 1.519(8) .
C1 C12 1.528(8) .
C1 C11 1.540(8) .
N2 C2 1.499(8) .
N2 Li1 2.110(13) .
C2 C23 1.525(8) .
C2 C21 1.524(8) .
C2 C22 1.531(8) .
N3 C3 1.509(7) .
N3 Li2 2.112(13) .
C3 C33 1.521(8) .
C3 C32 1.537(8) .
C3 C31 1.536(8) .
C41 C46' 1.469(16) .
C41 C46 1.477(10) .
C41 C42 1.481(10) .
C41 C42' 1.482(16) .
C42 C43 1.579(11) .
C42' C43 1.564(16) .
C43 C44 1.431(11) .
C44 C45 1.445(12) .
C44 C45' 1.478(17) .
C45 C46 1.546(12) .
C45' C46' 1.570(17) .
O5 C52' 1.427(11) .
O5 C52 1.433(16) .
O5 C55 1.457(15) .
O5 C55' 1.477(10) .
O5 Li1 1.938(13) .
C52 C53 1.498(16) .
C52' C53 1.489(12) .
C53 C54 1.440(13) .
C54 C55 1.478(16) .
C54 C55' 1.492(12) .
Li2 P3 2.570(12) 3_656
Li2 Li2 3.04(2) 3_656
C4S O1S 1.33(2) .
C4S C1S 1.484(18) 3_757
C1S O1S 1.325(19) .
C1S C4S 1.484(18) 3_757
