#------------------------------------------------------------------------------
#$Date: 2011-01-02 20:00:31 +0000 (Sun, 02 Jan 2011) $
#$Revision: 5310 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005351.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_2005351
_publ_section_title
;
1-(R)-{2-[1-(R)-(N,N-Dimethylamino)ethyl]-1,1'-(S,S)-biferrocen-2'-yl}ethyl-
N,N-dimethylammonium Trichloro(dimethyl sulfoxide-S)platinate(II)
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2196
_journal_page_last               2198
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac
'[Fe2 (C5 H5)2 (C18 H27 N2)][Pt Cl3 (C2 H6 O S)]'
_chemical_formula_sum            'C30 H43 Cl3 Fe2 N2 O Pt S'
_chemical_formula_weight         892.86
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 117.63(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.314(8)
_cell_length_b                   9.983(5)
_cell_length_c                   13.450(7)
_cell_measurement_temperature    158(2)
_cell_volume                     1583.7(15)
_exptl_crystal_density_diffrn    1.872
_[local]_cod_cif_authors_sg_H-M  'P 21'
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2005351
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pt1 1 0.13252(7) 0.82336(10) 0.18220(6) 0.0183(2)
Cl1 1 0.2772(5) 0.7982(6) 0.1348(5) 0.028(2)
Cl2 1 -0.0101(5) 0.8501(8) 0.2322(5) 0.029(2)
Cl3 1 0.2481(5) 0.9526(6) 0.3362(4) 0.0272(15)
S1 1 0.0105(5) 0.7124(6) 0.0335(4) 0.0203(14)
O1 1 -0.0850(13) 0.7944(16) -0.0497(12) 0.038(5)
C29 1 -0.046(2) 0.572(3) 0.073(2) 0.041(8)
H29A 1 0.0079 0.5440 0.1488 0.062
H29B 1 -0.0575 0.4980 0.0203 0.062
H29C 1 -0.1180 0.5965 0.0699 0.062
C30 1 0.074(2) 0.621(3) -0.040(2) 0.033(7)
H30A 1 0.12 0.546 0.007 0.049
H30B 1 0.12 0.681 -0.06 0.049
H30C 1 0.014 0.59 -0.110 0.049
C1 1 0.3010(18) 0.777(2) 0.7166(18) 0.018(5)
C2 1 0.2787(17) 0.737(2) 0.8061(17) 0.017(5)
H2 1 0.2891 0.791 0.8685 0.020
C3 1 0.2375(17) 0.601(2) 0.7850(17) 0.019(5)
H3 1 0.2215 0.546 0.8337 0.023
C4 1 0.2254(18) 0.565(2) 0.6796(17) 0.024(5)
H4 1 0.1947 0.483 0.6417 0.029
C5 1 0.2670(19) 0.672(2) 0.6385(19) 0.018(6)
C21 1 0.2860(18) 0.674(2) 0.5346(18) 0.025(6)
H21 1 0.2788 0.768 0.5068 0.030
C22 1 0.1979(19) 0.587(3) 0.4411(17) 0.030(6)
H22A 1 0.235 0.506 0.432 0.045
H22B 1 0.164 0.637 0.371 0.045
H22C 1 0.138 0.56 0.461 0.045
N1 1 0.4042(14) 0.6264(17) 0.5704(14) 0.017(4)
C23 1 0.423(2) 0.482(2) 0.593(2) 0.034(6)
H23A 1 0.504 0.464 0.63 0.051
H23B 1 0.40 0.433 0.521 0.051
H23C 1 0.39 0.453 0.64 0.051
C24 1 0.4404(18) 0.664(3) 0.4865(19) 0.027(6)
H24A 1 0.45 0.762 0.486 0.041
H24B 1 0.384 0.63 0.412 0.041
H24C 1 0.514 0.62 0.506 0.041
Fe1 1 0.1325(3) 0.7315(3) 0.6625(2) 0.0185(8)
C6 1 0.0463(18) 0.906(2) 0.6373(16) 0.016(5)
H6 1 0.0811 0.990 0.6676 0.020
C7 1 0.0072(16) 0.806(3) 0.6903(17) 0.025(6)
H7 1 0.0088 0.817 0.7612 0.030
C8 1 -0.0313(19) 0.697(3) 0.6252(19) 0.031(6)
H8 1 -0.0581 0.617 0.6431 0.037
C9 1 -0.0246(19) 0.722(3) 0.526(2) 0.030(6)
H9 1 -0.0473 0.663 0.465 0.036
C10 1 0.0215(16) 0.853(3) 0.5321(15) 0.020(5)
H10 1 0.0332 0.896 0.4753 0.025
C11 1 0.3488(18) 0.906(2) 0.7037(17) 0.020(5)
C12 1 0.2898(19) 1.011(2) 0.6272(18) 0.016(6)
H12 1 0.2101 1.018 0.5816 0.019
C13 1 0.3735(17) 1.104(2) 0.6320(17) 0.022(5)
H13 1 0.3588 1.182 0.5871 0.026
C14 1 0.482(2) 1.062(3) 0.7142(18) 0.027(6)
H14 1 0.5512 1.109 0.7381 0.033
C15 1 0.4665(16) 0.937(2) 0.7539(16) 0.014(5)
C25 1 0.5592(15) 0.846(3) 0.8349(14) 0.021(5)
H25 1 0.5264 0.792 0.8754 0.025
C26 1 0.6631(18) 0.914(2) 0.9215(16) 0.027(6)
H26A 1 0.728 0.852 0.948 0.040
H26B 1 0.651 0.94 0.985 0.040
H26C 1 0.679 0.993 0.889 0.040
N2 1 0.5902(14) 0.7483(18) 0.7647(14) 0.018(3)
H2A 1 0.5228 0.7224 0.7035 0.022
C27 1 0.6446(18) 0.626(2) 0.8284(17) 0.022(4)
H27A 1 0.604 0.596 0.869 0.033
H27B 1 0.724 0.646 0.882 0.033
H27C 1 0.642 0.556 0.7764 0.033
C28 1 0.6624(16) 0.805(3) 0.7206(15) 0.020(4)
H28A 1 0.630 0.889 0.682 0.029
H28B 1 0.668 0.742 0.668 0.029
H28C 1 0.738 0.822 0.783 0.029
Fe2 1 0.3810(2) 1.0795(3) 0.7879(2) 0.0174(7)
C16 1 0.3121(18) 1.078(2) 0.8968(17) 0.026(5)
H16 1 0.2643 1.013 0.9043 0.031
C17 1 0.2774(19) 1.194(2) 0.8278(18) 0.024(6)
H17 1 0.2021 1.220 0.7776 0.029
C18 1 0.3779(19) 1.261(3) 0.8495(19) 0.032(6)
H18 1 0.3802 1.344 0.8165 0.039
C19 1 0.470(2) 1.194(2) 0.9216(18) 0.025(6)
H19 1 0.546 1.221 0.9466 0.031
C20 1 0.435(2) 1.080(3) 0.954(2) 0.043(7)
H20 1 0.482 1.013 1.004 0.052