#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:32:26 +0100 (Wed 23 de Mar de 2016) $
#$Revision: 179185 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/31/4313168.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_4313168
loop_
_publ_author_name
'U. Anandhi'
'Todd Holbert'
'Dennis Lueng'
'Paul R. Sharp'
_publ_contact_author
;
 Paul R. Sharp
 Department of Chemistry
 University of Missouri
 Columbia, MO  65211
;
_publ_contact_author_email       SharpP@missouri.edu
_publ_contact_author_fax         573-882-2754
_publ_contact_author_phone       573-882-7715
_publ_section_title
;
 Platinum and Palladium Imido and Oxo Complexes with Small Natural Bite
 Angle Diphosphine Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1282
_journal_page_last               1295
_journal_paper_doi               10.1021/ic025987f
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C70 H72 Li N5 O4 P4 Pt2'
_chemical_formula_weight         1568.33
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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                 100.6360(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.4635(7)
_cell_length_b                   24.1305(14)
_cell_length_c                   13.6535(8)
_cell_measurement_temperature    173(2)
_cell_volume                     3711.9(4)
_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 0.971
_diffrn_measured_fraction_theta_max 0.971
_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     0.71070
_diffrn_reflns_av_R_equivalents  0.0443
_diffrn_reflns_av_sigmaI/netI    0.0613
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            21925
_diffrn_reflns_theta_full        27.20
_diffrn_reflns_theta_max         27.20
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    3.897
_exptl_absorpt_correction_T_max  0.3877
_exptl_absorpt_correction_T_min  0.3048
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 Data were corrected for decay and absorption using the program SADABS 
 based on the method of R.H. Blessing (Acta Cryst. A51, 33-38, 1995).   
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.403
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1556
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.193
_refine_diff_density_min         -0.871
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     481
_refine_ls_number_reflns         8234
_refine_ls_number_restraints     37
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0660
_refine_ls_R_factor_gt           0.0401
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0322P)²+2.4782P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0781
_refine_ls_wR_factor_ref         0.0853
_reflns_number_gt                6187
_reflns_number_total             8234
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic025987f-2_s1_9.cif
_cod_data_source_block           '[Pt(_-N-2,6-xylyl)(dppma)]2.LiNO3_11_(M=Pt)'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 
;
_cod_database_code               4313168
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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 0.57042(2) 0.7500 0.031318(19) 0.02568(8) Uani 1 2 d S . .
P1 P 0.65115(11) 0.80422(5) -0.07272(10) 0.0284(3) Uani 1 1 d . . .
O1 O 0.2438(5) 0.7500 -0.0931(4) 0.0567(16) Uani 1 2 d S . .
N1 N 0.7074(5) 0.7500 -0.1282(5) 0.0342(14) Uani 1 2 d SD . .
C1 C 0.7542(7) 0.7500 -0.2218(6) 0.043(2) Uani 1 2 d SD . .
Li1 Li 0.3415(10) 0.7500 0.0464(10) 0.041(3) Uani 1 2 d S . .
Pt2 Pt 0.47554(2) 0.7500 0.23000(2) 0.03038(8) Uani 1 2 d S . .
P2 P 0.45098(12) 0.80396(7) 0.35916(10) 0.0391(3) Uani 1 1 d . . .
O2 O 0.1581(5) 0.7500 0.0351(4) 0.0472(14) Uani 1 2 d S . .
N2 N 0.4619(6) 0.7500 0.4406(4) 0.0426(16) Uani 1 2 d SD . .
C2 C 0.4332(8) 0.7500 0.5399(6) 0.059(3) Uani 1 2 d SD . .
O3 O 0.0536(5) 0.7500 -0.1152(5) 0.080(2) Uani 1 2 d S . .
N3 N 0.4795(3) 0.80176(16) 0.1112(3) 0.0294(9) Uani 1 1 d . . .
C3 C 0.5137(5) 0.8583(2) 0.1281(4) 0.0331(11) Uani 1 1 d . . .
N4 N 0.1508(5) 0.7500 -0.0581(5) 0.0429(16) Uani 1 2 d S . .
C4 C 0.6275(5) 0.8746(2) 0.1796(4) 0.0420(13) Uani 1 1 d . . .
C5 C 0.6532(6) 0.9312(3) 0.1921(5) 0.0551(17) Uani 1 1 d . . .
H5 H 0.7288 0.9423 0.2275 0.066 Uiso 1 1 calc R . .
C6 C 0.5717(7) 0.9708(3) 0.1545(5) 0.0619(19) Uani 1 1 d . . .
H6 H 0.5914 1.0090 0.1628 0.074 Uiso 1 1 calc R . .
C7 C 0.4632(6) 0.9555(3) 0.1057(5) 0.0567(17) Uani 1 1 d . . .
H7 H 0.4072 0.9833 0.0801 0.068 Uiso 1 1 calc R . .
C8 C 0.4310(5) 0.9000(2) 0.0918(4) 0.0413(13) Uani 1 1 d . . .
C41 C 0.7221(5) 0.8330(3) 0.2209(4) 0.0487(15) Uani 1 1 d . . .
H41C H 0.7337 0.8072 0.1681 0.058 Uiso 1 1 calc R . .
H41B H 0.6973 0.8124 0.2754 0.058 Uiso 1 1 calc R . .
H41A H 0.7967 0.8525 0.2461 0.058 Uiso 1 1 calc R . .
C81 C 0.3085(5) 0.8847(2) 0.0383(4) 0.0504(15) Uani 1 1 d . . .
H81C H 0.2617 0.8710 0.0866 0.061 Uiso 1 1 calc R . .
H81B H 0.3142 0.8556 -0.0107 0.061 Uiso 1 1 calc R . .
H81A H 0.2697 0.9174 0.0043 0.061 Uiso 1 1 calc R . .
C101 C -0.2197(10) 1.0130(4) 0.7533(8) 0.044(3) Uiso 0.50 1 d P . .
C102 C -0.1213(16) 0.9960(7) 0.7037(14) 0.081(5) Uiso 0.50 1 d P . .
C103 C -0.1066(14) 0.9899(6) 0.7591(12) 0.059(4) Uiso 0.50 1 d P . .
C104 C -0.014(2) 0.9927(9) 0.7428(15) 0.106(6) Uiso 0.50 1 d P . .
C105 C 0.075(2) 0.9835(9) 0.6224(18) 0.120(7) Uiso 0.50 1 d P . .
C106 C -0.0855(14) 0.9376(6) 0.7645(11) 0.071(4) Uiso 0.50 1 d P . .
C107 C 0.084(2) 0.9652(11) 0.700(2) 0.121(7) Uiso 0.50 1 d P . .
C108 C 0.057(2) 0.9337(11) 0.6473(19) 0.092(9) Uiso 0.50 1 d P . .
C109 C 0.049(3) 0.9381(15) 0.757(2) 0.140(10) Uiso 0.50 1 d P . .
C110 C 0.056(2) 0.9159(13) 0.666(2) 0.065(6) Uiso 0.50 1 d P . .
C111 C 0.021(3) 0.9059(19) 0.763(3) 0.174(14) Uiso 0.50 1 d P . .
C112 C 0.042(2) 0.8989(9) 0.6769(18) 0.073(8) Uiso 0.50 1 d P . .
C113 C 0.014(2) 0.8623(11) 0.7421(19) 0.135(9) Uiso 0.50 1 d P . .
C1A C 0.5506(4) 0.8417(2) -0.1689(4) 0.0304(11) Uani 1 1 d . . .
H1A H 0.797(5) 0.7837(17) -0.233(3) 0.09(2) Uiso 1 1 d D . .
C2A C 0.5889(5) 0.8780(2) -0.2349(4) 0.0439(14) Uani 1 1 d . . .
H2A1 H 0.6715 0.8842 -0.2307 0.053 Uiso 1 1 calc R . .
H2A H 0.463(4) 0.7807(19) 0.583(3) 0.08(2) Uiso 1 1 d D . .
C3A C 0.5090(6) 0.9054(2) -0.3066(4) 0.0483(15) Uani 1 1 d . . .
H3A H 0.5364 0.9297 -0.3521 0.058 Uiso 1 1 calc R . .
C4A C 0.3900(5) 0.8971(2) -0.3116(4) 0.0460(14) Uani 1 1 d . . .
H4A H 0.3347 0.9170 -0.3592 0.055 Uiso 1 1 calc R . .
C5A C 0.3494(5) 0.8604(2) -0.2489(4) 0.0499(15) Uani 1 1 d . . .
H5A H 0.2667 0.8541 -0.2539 0.060 Uiso 1 1 calc R . .
C6A C 0.4303(5) 0.8325(2) -0.1781(4) 0.0415(13) Uani 1 1 d . . .
H6A H 0.4025 0.8067 -0.1352 0.050 Uiso 1 1 calc R . .
C7A C 0.7716(4) 0.8527(2) -0.0352(4) 0.0324(11) Uani 1 1 d . . .
C8A C 0.8883(5) 0.8348(2) -0.0190(4) 0.0421(13) Uani 1 1 d . . .
H8A H 0.9059 0.7973 -0.0319 0.051 Uiso 1 1 calc R . .
C9A C 0.9794(5) 0.8715(3) 0.0159(5) 0.0533(16) Uani 1 1 d . . .
H9A H 1.0594 0.8591 0.0260 0.064 Uiso 1 1 calc R . .
C10A C 0.9553(6) 0.9255(3) 0.0360(5) 0.0588(18) Uani 1 1 d . . .
H10A H 1.0186 0.9502 0.0604 0.071 Uiso 1 1 calc R . .
C11A C 0.8394(6) 0.9441(2) 0.0210(5) 0.0569(17) Uani 1 1 d . . .
H11A H 0.8229 0.9816 0.0350 0.068 Uiso 1 1 calc R . .
C12A C 0.7460(5) 0.9075(2) -0.0150(4) 0.0398(13) Uani 1 1 d . . .
H12A H 0.6660 0.9200 -0.0255 0.048 Uiso 1 1 calc R . .
C1B C 0.5557(5) 0.8559(3) 0.4197(4) 0.0427(14) Uani 1 1 d . . .
H1B H 0.694(4) 0.7500 -0.282(3) 0.09(3) Uiso 1 2 d SD . .
C2B C 0.6594(6) 0.8391(3) 0.4806(5) 0.0586(17) Uani 1 1 d . . .
H2B1 H 0.6736 0.8009 0.4948 0.070 Uiso 1 1 calc R . .
H2B H 0.350(3) 0.7500 0.546(4) 0.11(4) Uiso 1 2 d SD . .
C3B C 0.7437(6) 0.8790(3) 0.5213(5) 0.074(2) Uani 1 1 d . . .
H3B H 0.8160 0.8678 0.5624 0.089 Uiso 1 1 calc R . .
C4B C 0.7219(7) 0.9338(3) 0.5019(5) 0.070(2) Uani 1 1 d . . .
H4B H 0.7789 0.9606 0.5303 0.084 Uiso 1 1 calc R . .
C5B C 0.6199(7) 0.9507(3) 0.4426(5) 0.071(2) Uani 1 1 d . . .
H5B H 0.6052 0.9891 0.4308 0.085 Uiso 1 1 calc R . .
C6B C 0.5369(6) 0.9118(3) 0.3992(5) 0.0587(17) Uani 1 1 d . . .
H6B H 0.4671 0.9235 0.3554 0.070 Uiso 1 1 calc R . .
C7B C 0.3049(5) 0.8349(3) 0.3553(4) 0.0487(15) Uani 1 1 d . . .
C8B C 0.2145(5) 0.8230(3) 0.2758(4) 0.0494(15) Uani 1 1 d . . .
H8B H 0.2310 0.8025 0.2206 0.059 Uiso 1 1 calc R . .
C9B C 0.0996(6) 0.8412(3) 0.2769(5) 0.0631(18) Uani 1 1 d . . .
H9B H 0.0379 0.8331 0.2221 0.076 Uiso 1 1 calc R . .
C10B C 0.0750(6) 0.8704(4) 0.3556(5) 0.080(2) Uani 1 1 d . . .
H10B H -0.0036 0.8829 0.3554 0.096 Uiso 1 1 calc R . .
C11B C 0.1638(7) 0.8818(4) 0.4356(6) 0.095(3) Uani 1 1 d . . .
H11B H 0.1458 0.9017 0.4910 0.114 Uiso 1 1 calc R . .
C12B C 0.2795(6) 0.8646(3) 0.4360(5) 0.075(2) Uani 1 1 d . . .
H12B H 0.3407 0.8730 0.4910 0.090 Uiso 1 1 calc R . .
O1S O -0.0094(12) 0.7832(8) -0.3637(14) 0.210(10) Uani 0.50 1 d PD . .
C1S C -0.1031(9) 0.7500 -0.4282(10) 0.078(3) Uani 1 2 d SDU . .
H1S1 H -0.1531 0.7834 -0.4301 0.094 Uiso 1 1 d . . .
C2S C -0.0559(12) 0.7500 -0.5130(10) 0.125(5) Uani 1 2 d SDU . .
H2S1 H -0.0802 0.7832 -0.5527 0.149 Uiso 1 1 d . . .
C3S C 0.0672(14) 0.7500 -0.4856(13) 0.208(8) Uani 1 2 d SDU . .
H3S1 H 0.0994 0.7832 -0.5129 0.250 Uiso 1 1 d . . .
C4S C 0.0977(13) 0.7500 -0.3837(14) 0.200(9) Uani 1 2 d SDU . .
H4S1 H 0.1509 0.7836 -0.3696 0.240 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'
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'
Pt Pt -1.7033 8.3905 '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
N3 Pt1 N3 74.5(2) 4_575 . ?
N3 Pt1 P1 172.65(12) 4_575 . ?
N3 Pt1 P1 106.75(11) . . ?
N3 Pt1 P1 106.75(11) 4_575 4_575 ?
N3 Pt1 P1 172.65(12) . 4_575 ?
P1 Pt1 P1 71.04(6) . 4_575 ?
N3 Pt1 Li1 50.2(2) 4_575 . ?
N3 Pt1 Li1 50.2(2) . . ?
P1 Pt1 Li1 125.0(2) . . ?
P1 Pt1 Li1 125.0(2) 4_575 . ?
N3 Pt1 Pt2 40.99(11) 4_575 . ?
N3 Pt1 Pt2 40.99(11) . . ?
P1 Pt1 Pt2 143.37(3) . . ?
P1 Pt1 Pt2 143.37(3) 4_575 . ?
Li1 Pt1 Pt2 54.9(3) . . ?
N1 P1 C7A 106.9(2) . . ?
N1 P1 C1A 107.6(3) . . ?
C7A P1 C1A 103.4(2) . . ?
N1 P1 Pt1 93.88(15) . . ?
C7A P1 Pt1 125.31(17) . . ?
C1A P1 Pt1 117.66(17) . . ?
N1 P1 P1 39.57(15) . 4_575 ?
C7A P1 P1 130.25(16) . 4_575 ?
C1A P1 P1 119.76(16) . 4_575 ?
Pt1 P1 P1 54.48(3) . 4_575 ?
N4 O1 Li1 90.2(6) . . ?
C1 N1 P1 128.0(2) . 4_575 ?
C1 N1 P1 128.0(2) . . ?
P1 N1 P1 100.9(3) 4_575 . ?
O1 Li1 N3 130.2(5) . . ?
O1 Li1 N3 130.2(5) . 4_575 ?
N3 Li1 N3 73.8(5) . 4_575 ?
O1 Li1 O2 63.5(4) . . ?
N3 Li1 O2 135.3(4) . . ?
N3 Li1 O2 135.3(4) 4_575 . ?
O1 Li1 N4 31.6(3) . . ?
N3 Li1 N4 142.8(2) . . ?
N3 Li1 N4 142.8(2) 4_575 . ?
O2 Li1 N4 31.9(3) . . ?
O1 Li1 Pt1 108.0(5) . . ?
N3 Li1 Pt1 49.6(3) . . ?
N3 Li1 Pt1 49.6(3) 4_575 . ?
O2 Li1 Pt1 171.5(7) . . ?
N4 Li1 Pt1 139.5(6) . . ?
O1 Li1 Pt2 178.8(6) . . ?
N3 Li1 Pt2 49.1(3) . . ?
N3 Li1 Pt2 49.1(3) 4_575 . ?
O2 Li1 Pt2 117.7(5) . . ?
N4 Li1 Pt2 149.6(5) . . ?
Pt1 Li1 Pt2 70.8(3) . . ?
N3 Pt2 N3 74.9(2) 4_575 . ?
N3 Pt2 P2 173.90(11) 4_575 . ?
N3 Pt2 P2 106.93(11) . . ?
N3 Pt2 P2 106.93(11) 4_575 4_575 ?
N3 Pt2 P2 173.90(11) . 4_575 ?
P2 Pt2 P2 70.68(8) . 4_575 ?
N3 Pt2 Li1 49.87(19) 4_575 . ?
N3 Pt2 Li1 49.87(19) . . ?
P2 Pt2 Li1 126.73(18) . . ?
P2 Pt2 Li1 126.73(18) 4_575 . ?
N3 Pt2 Pt1 41.19(10) 4_575 . ?
N3 Pt2 Pt1 41.19(10) . . ?
P2 Pt2 Pt1 143.07(4) . . ?
P2 Pt2 Pt1 143.07(4) 4_575 . ?
Li1 Pt2 Pt1 54.3(2) . . ?
N2 P2 C1B 105.5(3) . . ?
N2 P2 C7B 106.8(3) . . ?
C1B P2 C7B 104.8(3) . . ?
N2 P2 Pt2 93.68(16) . . ?
C1B P2 Pt2 125.84(18) . . ?
C7B P2 Pt2 117.44(19) . . ?
N2 P2 P2 40.07(15) . 4_575 ?
C1B P2 P2 133.38(19) . 4_575 ?
C7B P2 P2 114.2(2) . 4_575 ?
Pt2 P2 P2 54.66(4) . 4_575 ?
N4 O2 Li1 87.3(5) . . ?
C2 N2 P2 127.4(2) . . ?
C2 N2 P2 127.4(2) . 4_575 ?
P2 N2 P2 99.9(3) . 4_575 ?
C3 N3 Pt2 119.9(3) . . ?
C3 N3 Pt1 120.9(3) . . ?
Pt2 N3 Pt1 97.82(16) . . ?
C3 N3 Li1 143.9(4) . . ?
Pt2 N3 Li1 81.1(3) . . ?
Pt1 N3 Li1 80.2(3) . . ?
C8 C3 C4 118.2(5) . . ?
C8 C3 N3 118.7(5) . . ?
C4 C3 N3 123.2(5) . . ?
O3 N4 O1 119.6(7) . . ?
O3 N4 O2 121.4(6) . . ?
O1 N4 O2 119.0(7) . . ?
O3 N4 Li1 177.8(6) . . ?
O1 N4 Li1 58.2(5) . . ?
O2 N4 Li1 60.8(5) . . ?
C5 C4 C3 119.0(6) . . ?
C5 C4 C41 118.9(5) . . ?
C3 C4 C41 122.1(5) . . ?
C6 C5 C4 121.4(6) . . ?
C7 C6 C5 119.8(6) . . ?
C6 C7 C8 121.8(6) . . ?
C7 C8 C3 119.7(6) . . ?
C7 C8 C81 120.2(6) . . ?
C3 C8 C81 120.1(5) . . ?
C103 C101 C102 30.4(8) . . ?
C103 C102 C104 62.6(19) . . ?
C103 C102 C101 69(2) . . ?
C104 C102 C101 126.6(18) . . ?
C103 C102 C106 48.9(17) . . ?
C104 C102 C106 66.2(14) . . ?
C101 C102 C106 98.4(12) . . ?
C102 C103 C104 80(2) . . ?
C102 C103 C106 105(2) . . ?
C104 C103 C106 84.1(16) . . ?
C102 C103 C101 80(2) . . ?
C104 C103 C101 149.6(19) . . ?
C106 C103 C101 123.8(15) . . ?
C103 C104 C102 36.9(12) . . ?
C103 C104 C109 112(2) . . ?
C102 C104 C109 122(2) . . ?
C103 C104 C107 148(2) . . ?
C102 C104 C107 127(2) . . ?
C109 C104 C107 44.6(14) . . ?
C103 C104 C106 52.3(12) . . ?
C102 C104 C106 69.0(14) . . ?
C109 C104 C106 60.3(17) . . ?
C107 C104 C106 98.4(16) . . ?
C107 C105 C108 51.4(18) . . ?
C107 C105 C110 47.2(19) . . ?
C108 C105 C110 4.3(19) . . ?
C103 C106 C111 132(2) . . ?
C103 C106 C109 99.5(18) . . ?
C111 C106 C109 32.7(17) . . ?
C103 C106 C104 43.7(10) . . ?
C111 C106 C104 89(2) . . ?
C109 C106 C104 56.2(15) . . ?
C103 C106 C102 26.4(9) . . ?
C111 C106 C102 126(2) . . ?
C109 C106 C102 96.7(17) . . ?
C104 C106 C102 44.9(10) . . ?
C108 C107 C105 71(3) . . ?
C108 C107 C109 88(3) . . ?
C105 C107 C109 151(3) . . ?
C108 C107 C110 22(2) . . ?
C105 C107 C110 93(3) . . ?
C109 C107 C110 68(2) . . ?
C108 C107 C104 116(3) . . ?
C105 C107 C104 104(2) . . ?
C109 C107 C104 67(2) . . ?
C110 C107 C104 113(2) . . ?
C108 C107 C112 31.6(18) . . ?
C105 C107 C112 103(2) . . ?
C109 C107 C112 57(2) . . ?
C110 C107 C112 10.6(18) . . ?
C104 C107 C112 106.5(19) . . ?
C108 C107 C111 71(2) . . ?
C105 C107 C111 138(3) . . ?
C109 C107 C111 17(2) . . ?
C110 C107 C111 51.4(18) . . ?
C104 C107 C111 77(2) . . ?
C112 C107 C111 40.9(13) . . ?
C112 C108 C107 113(3) . . ?
C112 C108 C105 170(3) . . ?
C107 C108 C105 57(2) . . ?
C112 C108 C109 66(2) . . ?
C107 C108 C109 48.7(19) . . ?
C105 C108 C109 104(3) . . ?
C112 C108 C111 39.8(19) . . ?
C107 C108 C111 76(2) . . ?
C105 C108 C111 130(3) . . ?
C109 C108 C111 27.5(16) . . ?
C111 C109 C107 141(5) . . ?
C111 C109 C110 80(4) . . ?
C107 C109 C110 61(2) . . ?
C111 C109 C112 61(3) . . ?
C107 C109 C112 80(3) . . ?
C110 C109 C112 19.2(16) . . ?
C111 C109 C104 129(5) . . ?
C107 C109 C104 68(2) . . ?
C110 C109 C104 109(3) . . ?
C112 C109 C104 121(2) . . ?
C111 C109 C108 97(4) . . ?
C107 C109 C108 43.6(18) . . ?
C110 C109 C108 19.0(17) . . ?
C112 C109 C108 37.7(16) . . ?
C104 C109 C108 93(2) . . ?
C111 C109 C106 65(4) . . ?
C107 C109 C106 121(3) . . ?
C110 C109 C106 106(2) . . ?
C112 C109 C106 97(2) . . ?
C104 C109 C106 63.5(16) . . ?
C108 C109 C106 108(2) . . ?
C111 C109 C113 17(3) . . ?
C107 C109 C113 125(3) . . ?
C110 C109 C113 64(2) . . ?
C112 C109 C113 45.1(14) . . ?
C104 C109 C113 139(2) . . ?
C108 C109 C113 82.8(19) . . ?
C106 C109 C113 78.8(19) . . ?
C107 C110 C109 50.8(18) . . ?
C107 C110 C111 85(2) . . ?
C109 C110 C111 34.7(19) . . ?
C107 C110 C105 39.8(17) . . ?
C109 C110 C105 89(2) . . ?
C111 C110 C105 122(3) . . ?
C107 C110 C113 122(2) . . ?
C109 C110 C113 72(2) . . ?
C111 C110 C113 37.7(19) . . ?
C105 C110 C113 158.8(19) . . ?
C109 C111 C113 149(6) . . ?
C109 C111 C112 83(4) . . ?
C113 C111 C112 69(3) . . ?
C109 C111 C106 82(4) . . ?
C113 C111 C106 120(4) . . ?
C112 C111 C106 113(3) . . ?
C109 C111 C110 66(3) . . ?
C113 C111 C110 86(3) . . ?
C112 C111 C110 17.7(17) . . ?
C106 C111 C110 107(3) . . ?
C109 C111 C108 55(3) . . ?
C113 C111 C108 98(3) . . ?
C112 C111 C108 29.2(16) . . ?
C106 C111 C108 98(2) . . ?
C110 C111 C108 12.1(16) . . ?
C109 C111 C107 22(3) . . ?
C113 C111 C107 128(3) . . ?
C112 C111 C107 61(2) . . ?
C106 C111 C107 90(2) . . ?
C110 C111 C107 43.1(16) . . ?
C108 C111 C107 32.7(11) . . ?
C108 C112 C111 111(3) . . ?
C108 C112 C113 161(3) . . ?
C111 C112 C113 50(2) . . ?
C108 C112 C109 76(2) . . ?
C111 C112 C109 36(2) . . ?
C113 C112 C109 85(2) . . ?
C108 C112 C107 34.9(18) . . ?
C111 C112 C107 78(2) . . ?
C113 C112 C107 127(2) . . ?
C109 C112 C107 42.1(14) . . ?
C111 C113 C112 62(2) . . ?
C111 C113 C110 56(3) . . ?
C112 C113 C110 6.0(17) . . ?
C111 C113 C109 14(3) . . ?
C112 C113 C109 49.8(16) . . ?
C110 C113 C109 43.9(13) . . ?
C6A C1A C2A 118.2(5) . . ?
C6A C1A P1 118.4(4) . . ?
C2A C1A P1 123.3(4) . . ?
C3A C2A C1A 121.1(5) . . ?
C4A C3A C2A 119.4(5) . . ?
C3A C4A C5A 120.8(5) . . ?
C4A C5A C6A 119.3(5) . . ?
C1A C6A C5A 121.1(5) . . ?
C8A C7A C12A 119.8(5) . . ?
C8A C7A P1 120.6(4) . . ?
C12A C7A P1 119.4(4) . . ?
C7A C8A C9A 120.1(5) . . ?
C10A C9A C8A 120.7(6) . . ?
C9A C10A C11A 120.2(6) . . ?
C10A C11A C12A 119.9(6) . . ?
C7A C12A C11A 119.4(5) . . ?
C2B C1B C6B 119.4(6) . . ?
C2B C1B P2 119.6(5) . . ?
C6B C1B P2 120.8(5) . . ?
C1B C2B C3B 119.4(6) . . ?
C4B C3B C2B 120.0(7) . . ?
C5B C4B C3B 120.9(7) . . ?
C4B C5B C6B 120.0(7) . . ?
C1B C6B C5B 120.2(6) . . ?
C8B C7B C12B 119.5(6) . . ?
C8B C7B P2 119.2(4) . . ?
C12B C7B P2 120.9(4) . . ?
C7B C8B C9B 120.0(6) . . ?
C10B C9B C8B 120.5(6) . . ?
C9B C10B C11B 120.1(7) . . ?
C10B C11B C12B 120.6(6) . . ?
C11B C12B C7B 119.4(6) . . ?
C1S O1S C4S 97.3(12) . . ?
C1S O1S O1S 57.5(8) . 4_575 ?
C4S O1S O1S 58.5(7) . 4_575 ?
C2S C1S O1S 98.4(9) . . ?
C2S C1S O1S 98.4(9) . 4_575 ?
O1S C1S O1S 65.1(15) . 4_575 ?
C1S C2S C3S 108.2(8) . . ?
C4S C3S C2S 109.2(9) . . ?
C3S C4S O1S 96.8(11) . 4_575 ?
C3S C4S O1S 96.8(11) . . ?
O1S C4S O1S 63.1(15) 4_575 . ?
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
Pt1 N3 2.063(4) 4_575 ?
Pt1 N3 2.063(4) . ?
Pt1 P1 2.2521(13) . ?
Pt1 P1 2.2521(13) 4_575 ?
Pt1 Li1 2.669(11) . ?
Pt1 Pt2 3.1034(4) . ?
P1 N1 1.697(4) . ?
P1 C7A 1.810(5) . ?
P1 C1A 1.820(5) . ?
P1 P1 2.617(2) 4_575 ?
O1 N4 1.246(7) . ?
O1 Li1 2.024(14) . ?
N1 C1 1.475(9) . ?
N1 P1 1.697(4) 4_575 ?
Li1 N3 2.080(11) . ?
Li1 N3 2.080(11) 4_575 ?
Li1 O2 2.080(13) . ?
Li1 N4 2.381(14) . ?
Li1 Pt2 2.687(13) . ?
Pt2 N3 2.055(4) 4_575 ?
Pt2 N3 2.055(4) . ?
Pt2 P2 2.2512(14) . ?
Pt2 P2 2.2512(14) 4_575 ?
P2 N2 1.701(4) . ?
P2 C1B 1.824(6) . ?
P2 C7B 1.825(6) . ?
P2 P2 2.604(3) 4_575 ?
O2 N4 1.260(8) . ?
N2 C2 1.454(10) . ?
N2 P2 1.701(4) 4_575 ?
O3 N4 1.235(8) . ?
N3 C3 1.426(6) . ?
C3 C8 1.409(7) . ?
C3 C4 1.420(7) . ?
C4 C5 1.399(8) . ?
C4 C41 1.509(8) . ?
C5 C6 1.370(9) . ?
C6 C7 1.349(9) . ?
C7 C8 1.393(8) . ?
C8 C81 1.505(8) . ?
C101 C103 1.399(18) . ?
C101 C102 1.48(2) . ?
C102 C103 0.758(19) . ?
C102 C104 1.25(2) . ?
C102 C106 1.65(2) . ?
C103 C104 1.12(2) . ?
C103 C106 1.285(18) . ?
C104 C109 1.50(3) . ?
C104 C107 1.52(3) . ?
C104 C106 1.62(2) . ?
C105 C107 1.13(3) . ?
C105 C108 1.27(3) . ?
C105 C110 1.76(4) . ?
C106 C111 1.44(4) . ?
C106 C109 1.57(3) . ?
C107 C108 1.05(3) . ?
C107 C109 1.14(3) . ?
C107 C110 1.29(4) . ?
C107 C112 1.68(3) . ?
C107 C111 1.89(4) . ?
C108 C112 0.96(3) . ?
C108 C109 1.52(4) . ?
C108 C111 1.84(4) . ?
C109 C111 0.86(4) . ?
C109 C110 1.37(4) . ?
C109 C112 1.44(4) . ?
C109 C113 1.88(4) . ?
C110 C111 1.48(4) . ?
C110 C113 1.78(4) . ?
C111 C113 1.09(4) . ?
C111 C112 1.26(4) . ?
C112 C113 1.33(3) . ?
C1A C6A 1.379(7) . ?
C1A C2A 1.386(7) . ?
C2A C3A 1.379(7) . ?
C3A C4A 1.368(8) . ?
C4A C5A 1.373(8) . ?
C5A C6A 1.383(7) . ?
C7A C8A 1.384(7) . ?
C7A C12A 1.394(7) . ?
C8A C9A 1.385(7) . ?
C9A C10A 1.371(8) . ?
C10A C11A 1.382(9) . ?
C11A C12A 1.406(7) . ?
C1B C2B 1.379(8) . ?
C1B C6B 1.386(8) . ?
C2B C3B 1.404(9) . ?
C3B C4B 1.364(10) . ?
C4B C5B 1.355(10) . ?
C5B C6B 1.389(9) . ?
C7B C8B 1.386(8) . ?
C7B C12B 1.390(8) . ?
C8B C9B 1.391(8) . ?
C9B C10B 1.357(9) . ?
C10B C11B 1.377(10) . ?
C11B C12B 1.389(9) . ?
O1S C1S 1.490(16) . ?
O1S C4S 1.532(15) . ?
O1S O1S 1.60(4) 4_575 ?
C1S C2S 1.366(13) . ?
C1S O1S 1.490(16) 4_575 ?
C2S C3S 1.391(15) . ?
C3S C4S 1.371(15) . ?
C4S O1S 1.532(15) 4_575 ?
