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#$Date: 2022-09-15 02:29:21 +0300 (Thu, 15 Sep 2022) $
#$Revision: 277856 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/10/07/4100783.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_4100783
loop_
_publ_author_name
'Masahiko Ochiai'
'Yong-Shou Lin'
'Jun Yamada'
'Hanae Misawa'
'Saiko Arai'
'Kazuko Matsumoto'
_publ_section_title
;
Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel
Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via
Ketonyl-Pt(III) Dinuclear Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2536
_journal_page_last               2545
_journal_paper_doi               10.1021/ja0302634
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C14.5 H43 N9 O13.5 Pt2'
_chemical_formula_weight         949.76
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                106.8670(10)
_cell_angle_beta                 100.7410(10)
_cell_angle_gamma                93.3400(10)
_cell_formula_units_Z            2
_cell_length_a                   9.6133(6)
_cell_length_b                   10.0893(7)
_cell_length_c                   17.1561(11)
_cell_measurement_temperature    293(2)
_cell_volume                     1553.30(18)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.031
_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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C14.50 H43 N9 O13.50 Pt2'
_cod_database_code               4100783
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 -0.0013(18) 0.9011(19) 0.7569(11) 0.064(5) Uiso 1 1 d . . .
C4 C 0.2972(18) 0.6171(19) 0.7046(10) 0.055(4) Uani 1 1 d . . .
C10 C -0.140(2) 0.403(2) 0.7459(13) 0.076(6) Uani 1 1 d . . .
C2 C 0.032(3) 0.903(3) 0.6810(18) 0.114(8) Uiso 1 1 d . . .
C3 C -0.059(4) 0.808(4) 0.609(2) 0.151(12) Uiso 1 1 d . . .
C13 C -0.176(3) 0.385(3) 0.6532(15) 0.123(10) Uani 1 1 d . . .
C12 C -0.126(3) 0.271(3) 0.769(2) 0.148(13) Uani 1 1 d . . .
C11 C -0.263(2) 0.467(4) 0.7890(15) 0.141(12) Uani 1 1 d . . .
C7 C 0.440(6) 0.666(4) 0.615(3) 0.26(3) Uani 1 1 d . . .
C8 C 0.394(4) 0.424(3) 0.6092(15) 0.154(14) Uani 1 1 d . . .
C9 C -0.0091(18) 0.5099(18) 0.7843(11) 0.056(4) Uani 1 1 d . . .
C6 C 0.192(4) 0.527(5) 0.5563(15) 0.23(2) Uani 1 1 d . . .
C5 C 0.333(3) 0.559(3) 0.6211(12) 0.092(7) Uani 1 1 d . . .
N1 N 0.3417(16) 0.5690(17) 0.7644(9) 0.070(4) Uani 1 1 d . . .
N20 N 0.8518(17) 0.7404(17) 0.0282(10) 0.076(4) Uiso 1 1 d . . .
N2 N 0.1062(16) 0.4870(15) 0.8263(8) 0.061(4) Uani 1 1 d . . .
N10 N 0.4478(17) 0.3045(19) 0.8504(11) 0.075(4) Uiso 1 1 d . . .
N3 N 0.2897(14) 0.9573(13) 0.8544(8) 0.055(4) Uani 1 1 d . . .
N4 N 0.0467(15) 0.8628(14) 0.9147(8) 0.060(4) Uani 1 1 d . . .
N6 N 0.2473(13) 0.6375(13) 0.9931(8) 0.051(3) Uani 1 1 d . . .
N30 N 0.3106(17) 0.0165(17) 0.1008(10) 0.071(4) Uiso 1 1 d . . .
N5 N 0.4872(13) 0.7246(13) 0.9355(9) 0.054(4) Uani 1 1 d . . .
O13 O 0.4732(16) 0.4196(18) 0.9044(10) 0.102(5) Uiso 1 1 d . . .
O4 O -0.0188(12) 0.6301(12) 0.7696(8) 0.070(4) Uani 1 1 d . . .
O3 O 0.2184(14) 0.7195(13) 0.7148(7) 0.067(3) Uani 1 1 d . . .
O11 O 0.3924(16) 0.2988(16) 0.7791(10) 0.102(5) Uiso 1 1 d . . .
O21 O 0.829(3) 0.737(3) 0.0976(18) 0.141(9) Uiso 0.70 1 d P . .
O23 O 0.9249(15) 0.6484(17) -0.0046(10) 0.100(5) Uiso 1 1 d . . .
O12 O 0.5019(14) 0.2056(15) 0.8671(8) 0.084(4) Uiso 1 1 d . . .
O33 O 0.3728(18) 0.1146(19) 0.1602(11) 0.115(5) Uiso 1 1 d . . .
O1 O 0.144(3) 0.985(3) 0.6782(14) 0.170(8) Uiso 1 1 d . . .
O22 O 0.835(2) 0.841(2) 0.0136(12) 0.000(4) Uiso 0.30 1 d P . .
O31 O 0.3769(13) -0.0195(13) 0.0412(7) 0.070(3) Uiso 1 1 d . . .
O32 O 0.1955(15) -0.0523(15) 0.0944(8) 0.084(4) Uiso 1 1 d . . .
Pt2 Pt 0.29148(6) 0.61160(6) 0.87747(3) 0.0418(2) Uani 1 1 d . . .
Pt1 Pt 0.13872(6) 0.78885(6) 0.81595(4) 0.0436(2) Uani 1 1 d . . .
O2 O 0.002(7) 0.881(6) 0.551(4) 0.46(3) Uiso 1 1 d . . .
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
C1 C2 1.40(3) . ?
C1 Pt1 2.111(18) . ?
C4 N1 1.27(2) . ?
C4 O3 1.307(19) . ?
C4 C5 1.50(2) . ?
C10 C12 1.51(3) . ?
C10 C13 1.52(3) . ?
C10 C9 1.52(2) . ?
C10 C11 1.58(3) . ?
C2 O1 1.34(3) . ?
C2 C3 1.42(4) . ?
C3 O2 1.59(7) . ?
C7 C5 1.48(4) . ?
C8 C5 1.49(3) . ?
C9 N2 1.28(2) . ?
C9 O4 1.313(19) . ?
C6 C5 1.53(4) . ?
N1 Pt2 2.017(14) . ?
N20 O22 1.13(2) . ?
N20 O23 1.262(19) . ?
N20 O21 1.26(3) . ?
N2 Pt2 2.010(15) . ?
N10 O11 1.225(19) . ?
N10 O12 1.231(19) . ?
N10 O13 1.235(19) . ?
N3 Pt1 2.034(13) . ?
N4 Pt1 2.028(12) . ?
N6 Pt2 2.052(12) . ?
N30 O33 1.221(19) . ?
N30 O32 1.240(18) . ?
N30 O31 1.280(18) . ?
N5 Pt2 2.055(12) . ?
O4 Pt1 2.005(11) . ?
O3 Pt1 1.985(11) . ?
Pt2 Pt1 2.7004(8) . ?
