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#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/06/8100625.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_8100625
loop_
_publ_author_name
'Bentefrit, B.'
'Lemoine, P.'
'Morgant, G.'
'Tomas, A.'
'Nguyen-Huy, D.'
'Viossat, B.'
_publ_section_title
;
Crystal structure of bis[(p-chlorophenyl)isopropylbiguadinium] 
tetrachloroplatinate(II) bisdimethylformamide, C₁₄H₂₄Cl₃N₆OPt~0.5~, 
and of bis[(p-chlorophenyl)isopropylbiguadinium] hexachloroplatinate(IV) 
bisdimethylformamide, C₂₈H₄₆Cl₈N₁₂O₂Pt
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              263
_journal_page_last               266
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C28 H46 Cl8 N12 O2 Pt'
_chemical_formula_sum            'C28 H46 Cl8 N12 O2 Pt'
_chemical_formula_weight         1061.46
_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'
_cell_angle_alpha                90.00
_cell_angle_beta                 101.23(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.604(2)
_cell_length_b                   9.996(3)
_cell_length_c                   21.103(7)
_cell_measurement_temperature    293(2)
_cell_volume                     2194.0(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.607
_exptl_crystal_density_meas      1.61
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100625
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
Pt1 Pt 0.5000 0.5000 0.5000 0.03620(10) Uani 1 2 d S . .
Cl1 Cl 0.46234(18) 0.56418(19) 0.60002(8) 0.0535(4) Uani 1 4 d . . .
Cl2 Cl 0.68874(17) 0.3976(2) 0.55107(8) 0.0572(5) Uani 1 4 d . . .
Cl3 Cl 0.3895(2) 0.30358(19) 0.50810(9) 0.0614(5) Uani 1 4 d . . .
N1 N 0.4259(6) 0.2693(6) 0.6784(3) 0.0510(15) Uani 1 4 d . . .
H1 H 0.417(11) 0.305(12) 0.642(6) 0.160(11) Uiso 1 4 d . . .
C1 C 0.3003(6) 0.2265(7) 0.6833(3) 0.0451(15) Uani 1 4 d . . .
N2 N 0.6402(6) 0.3080(7) 0.7050(3) 0.0511(15) Uani 1 4 d . . .
H21 H 0.645(12) 0.327(13) 0.672(6) 0.160(11) Uiso 1 4 d . . .
H22 H 0.717(12) 0.310(13) 0.731(6) 0.160(11) Uiso 1 4 d . . .
C2 C 0.2763(8) 0.1203(9) 0.7220(4) 0.066(2) Uani 1 4 d . . .
H2 H 0.3442 0.0751 0.7478 0.160(11) Uiso 1 4 calc R . .
N3 N 0.5265(5) 0.2249(6) 0.7823(3) 0.0514(14) Uani 1 4 d . . .
C3 C 0.1532(9) 0.0833(9) 0.7219(4) 0.070(2) Uani 1 4 d . . .
H3 H 0.1374 0.0135 0.7484 0.160(11) Uiso 1 4 calc R . .
N4 N 0.7359(7) 0.1359(8) 0.8134(3) 0.0623(19) Uani 1 4 d . . .
H41 H 0.799(12) 0.124(14) 0.841(6) 0.160(11) Uiso 1 4 d . . .
H42 H 0.745(13) 0.106(15) 0.779(6) 0.160(11) Uiso 1 4 d . . .
C4 C 0.0519(7) 0.1463(9) 0.6835(4) 0.065(2) Uani 1 4 d . . .
N5 N 0.6242(6) 0.2059(8) 0.8882(3) 0.0622(18) Uani 1 4 d . . .
H5 H 0.684(11) 0.180(13) 0.916(6) 0.160(11) Uiso 1 4 d . . .
C5 C 0.0735(7) 0.2506(10) 0.6453(4) 0.068(2) Uani 1 4 d . . .
H50 H 0.0050 0.2953 0.6198 0.160(11) Uiso 1 4 calc R . .
C6 C 0.1992(7) 0.2893(9) 0.6450(4) 0.063(2) Uani 1 4 d . . .
H6 H 0.2147 0.3590 0.6183 0.160(11) Uiso 1 4 calc R . .
C7 C 0.5354(6) 0.2640(7) 0.7245(3) 0.0443(15) Uani 1 4 d . . .
C8 C 0.6302(6) 0.1910(7) 0.8274(3) 0.0468(16) Uani 1 4 d . . .
C9 C 0.5125(9) 0.2589(11) 0.9121(4) 0.079(3) Uani 1 4 d . . .
H9 H 0.4584 0.3085 0.8770 0.160(11) Uiso 1 4 calc R . .
Cl10 Cl -0.1032(2) 0.0922(3) 0.68247(14) 0.0991(9) Uani 1 4 d . . .
C10 C 0.4400(14) 0.1485(16) 0.9288(9) 0.184(8) Uani 1 4 d . . .
H101 H 0.4156 0.0913 0.8919 0.160(11) Uiso 1 4 calc R . .
H102 H 0.3643 0.1810 0.9423 0.160(11) Uiso 1 4 calc R . .
H103 H 0.4915 0.0989 0.9635 0.160(11) Uiso 1 4 calc R . .
C11 C 0.5548(13) 0.3507(16) 0.9655(6) 0.164(7) Uani 1 4 d . . .
H111 H 0.6032 0.4223 0.9513 0.160(11) Uiso 1 4 calc R . .
H112 H 0.6081 0.3038 1.0004 0.160(11) Uiso 1 4 calc R . .
H113 H 0.4813 0.3868 0.9798 0.160(11) Uiso 1 4 calc R . .
O50 O 0.6388(7) -0.0739(9) 0.7137(4) 0.115(3) Uani 1 4 d . . .
N50 N 0.4790(9) -0.0691(9) 0.6306(5) 0.092(3) Uani 1 4 d . . .
C51 C 0.5261(13) -0.1064(11) 0.6880(6) 0.126(5) Uani 1 4 d . . .
C52 C 0.5628(18) 0.0001(13) 0.5938(7) 0.154(7) Uani 1 4 d . . .
H521 H 0.5149 0.0218 0.5516 0.160(11) Uiso 1 4 calc R . .
H522 H 0.6336 -0.0569 0.5897 0.160(11) Uiso 1 4 calc R . .
H523 H 0.5948 0.0808 0.6159 0.160(11) Uiso 1 4 calc R . .
C53 C 0.3603(11) -0.0907(14) 0.5915(7) 0.151(6) Uani 1 4 d . . .
H531 H 0.3572 -0.0472 0.5507 0.160(11) Uiso 1 4 calc R . .
H532 H 0.2943 -0.0549 0.6120 0.160(11) Uiso 1 4 calc R . .
H533 H 0.3469 -0.1850 0.5848 0.160(11) Uiso 1 4 calc R . .
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 Cl3 2.3099(18) . ?
Pt1 Cl3 2.3099(18) 3_666 ?
Pt1 Cl1 2.3141(18) . ?
Pt1 Cl1 2.3141(18) 3_666 ?
Pt1 Cl2 2.3184(17) . ?
Pt1 Cl2 2.3184(17) 3_666 ?
N1 C7 1.363(8) . ?
N1 C1 1.422(9) . ?
C1 C6 1.364(9) . ?
C1 C2 1.392(10) . ?
N2 C7 1.332(9) . ?
C2 C3 1.356(10) . ?
N3 C7 1.301(8) . ?
N3 C8 1.350(8) . ?
C3 C4 1.366(11) . ?
N4 C8 1.333(9) . ?
C4 C5 1.365(12) . ?
C4 Cl10 1.727(7) . ?
N5 C8 1.307(8) . ?
N5 C9 1.473(10) . ?
C5 C6 1.389(10) . ?
C9 C10 1.428(16) . ?
C9 C11 1.453(15) . ?
O50 C51 1.255(13) . ?
N50 C51 1.273(14) . ?
N50 C53 1.381(12) . ?
N50 C52 1.463(18) . ?
