#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/01/8100192.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_8100192
loop_
_publ_author_name
'Li, B.'
'Li, Da-Cheng'
'Dong, Feng-Ying'
'Dou, Jian-Min'
'Wang, Da-Qi'
_publ_section_title
;
Crystal structure of bis(dicyclohexano-16-oxacrown-6)disodium(I) bis
(maleodinitrilethiolato)platinate(II), [Na₂(C₂₀H₂₈O₆)₂] 
[Pt(C₄N₂S₂)₂]
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              413
_journal_page_last               414
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         '[Na(DC18C6-A)]~2~[Pt(mnt)~2~]'
_chemical_formula_sum            'C48 H72 N4 Na2 O12 Pt S4'
_chemical_formula_weight         1266.41
_chemical_melting_point          545.6(5)
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.865(19)
_cell_angle_beta                 109.19(2)
_cell_angle_gamma                99.14(2)
_cell_formula_units_Z            1
_cell_length_a                   10.2280(15)
_cell_length_b                   12.0170(18)
_cell_length_c                   12.6380(19)
_cell_measurement_temperature    298(2)
_cell_volume                     1384(4)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.519
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '272-273 \%C' was changed to
'545.6(5)' - it was converted from degrees Celsius(C) to Kelvins(K),
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               8100192
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_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 1.0000 1.0000 0.0000 0.03702(8) Uani 1 1 a d S . .
Na1 Na 0.45790(16) 0.71572(13) 0.26318(12) 0.0476(4) Uani 1 2 i d . . .
N1 N 0.6357(4) 0.7024(3) 0.1681(3) 0.0516(9) Uani 1 2 i d . . .
N2 N 0.5906(4) 0.5225(3) -0.1913(3) 0.0619(10) Uani 1 2 i d . . .
O1 O 0.6976(3) 0.8553(2) 0.4481(2) 0.0468(7) Uani 1 2 i d . . .
O2 O 0.5251(3) 0.6653(2) 0.4567(2) 0.0472(7) Uani 1 2 i d . . .
O3 O 0.2630(3) 0.7084(2) 0.3424(2) 0.0541(7) Uani 1 2 i d . . .
O4 O 0.2044(3) 0.6568(2) 0.1027(2) 0.0566(8) Uani 1 2 i d . . .
O5 O 0.3818(3) 0.8237(2) 0.0560(2) 0.0570(8) Uani 1 2 i d . . .
O6 O 0.5018(3) 0.9507(2) 0.3058(2) 0.0552(8) Uani 1 2 i d . . .
S1 S 0.88327(11) 0.92656(8) 0.11009(8) 0.0389(2) Uani 1 2 i d . . .
S2 S 0.84671(11) 0.81860(8) -0.12292(8) 0.0402(2) Uani 1 2 i d . . .
C1 C 0.7448(4) 0.8247(3) 0.5557(3) 0.0429(10) Uani 1 2 i d . . .
H1 H 0.7094 0.8693 0.6107 0.052 Uiso 1 2 i calc R . .
C2 C 0.9072(4) 0.8510(4) 0.6127(3) 0.0528(11) Uani 1 2 i d . . .
H2A H 0.9482 0.9333 0.6242 0.063 Uiso 1 2 i calc R . .
H2B H 0.9333 0.8379 0.6891 0.063 Uiso 1 2 i calc R . .
C3 C 0.9699(5) 0.7748(4) 0.5395(4) 0.0632(13) Uani 1 2 i d . . .
H3A H 1.0722 0.7903 0.5817 0.076 Uiso 1 2 i calc R . .
H3B H 0.9545 0.7946 0.4667 0.076 Uiso 1 2 i calc R . .
C4 C 0.9005(5) 0.6448(4) 0.5125(4) 0.0655(13) Uani 1 2 i d . . .
H4A H 0.9381 0.5976 0.4623 0.079 Uiso 1 2 i calc R . .
H4B H 0.9239 0.6233 0.5848 0.079 Uiso 1 2 i calc R . .
C5 C 0.7396(4) 0.6185(3) 0.4523(3) 0.0507(11) Uani 1 2 i d . . .
H5A H 0.6979 0.5359 0.4395 0.061 Uiso 1 2 i calc R . .
H5B H 0.7162 0.6326 0.3764 0.061 Uiso 1 2 i calc R . .
C6 C 0.6750(4) 0.6942(3) 0.5243(3) 0.0433(10) Uani 1 2 i d . . .
H6 H 0.6893 0.6726 0.5969 0.052 Uiso 1 2 i calc R . .
C7 C 0.4407(4) 0.7059(4) 0.5173(4) 0.0644(13) Uani 1 2 i d . . .
H7A H 0.4648 0.7914 0.5421 0.077 Uiso 1 2 i calc R . .
H7B H 0.4577 0.6791 0.5864 0.077 Uiso 1 2 i calc R . .
C8 C 0.2866(5) 0.6582(4) 0.4363(4) 0.0633(13) Uani 1 2 i d . . .
H8A H 0.2647 0.5729 0.4063 0.076 Uiso 1 2 i calc R . .
H8B H 0.2252 0.6781 0.4780 0.076 Uiso 1 2 i calc R . .
C9 C 0.1216(5) 0.6614(4) 0.2565(4) 0.0682(13) Uani 1 2 i d . . .
H9A H 0.0540 0.6881 0.2884 0.082 Uiso 1 2 i calc R . .
H9B H 0.0983 0.5759 0.2350 0.082 Uiso 1 2 i calc R . .
C10 C 0.1106(5) 0.7002(4) 0.1515(4) 0.0708(14) Uani 1 2 i d . . .
H10A H 0.0132 0.6709 0.0943 0.085 Uiso 1 2 i calc R . .
H10B H 0.1350 0.7857 0.1730 0.085 Uiso 1 2 i calc R . .
C11 C 0.1782(4) 0.6615(3) -0.0152(3) 0.0463(10) Uani 1 2 i d . . .
H11 H 0.0749 0.6360 -0.0606 0.056 Uiso 1 2 i calc R . .
C12 C 0.2496(5) 0.5742(3) -0.0677(3) 0.0520(11) Uani 1 2 i d . . .
H12A H 0.3508 0.5950 -0.0195 0.062 Uiso 1 2 i calc R . .
H12B H 0.2082 0.4956 -0.0679 0.062 Uiso 1 2 i calc R . .
C13 C 0.2308(5) 0.5736(3) -0.1922(3) 0.0594(12) Uani 1 2 i d . . .
H13A H 0.1303 0.5441 -0.2424 0.071 Uiso 1 2 i calc R . .
H13B H 0.2825 0.5212 -0.2212 0.071 Uiso 1 2 i calc R . .
C14 C 0.2858(5) 0.6969(4) -0.1971(4) 0.0578(12) Uani 1 2 i d . . .
H14A H 0.2673 0.6951 -0.2779 0.069 Uiso 1 2 i calc R . .
H14B H 0.3884 0.7232 -0.1537 0.069 Uiso 1 2 i calc R . .
C15 C 0.2128(4) 0.7826(3) -0.1451(3) 0.0500(11) Uani 1 2 i d . . .
H15A H 0.1113 0.7597 -0.1927 0.060 Uiso 1 2 i calc R . .
H15B H 0.2516 0.8612 -0.1465 0.060 Uiso 1 2 i calc R . .
C16 C 0.2344(4) 0.7847(3) -0.0192(3) 0.0456(10) Uani 1 2 i d . . .
H16 H 0.1821 0.8376 0.0100 0.055 Uiso 1 2 i calc R . .
C17 C 0.4333(5) 0.9479(4) 0.1019(4) 0.0623(13) Uani 1 2 i d . . .
H17A H 0.3802 0.9842 0.0462 0.075 Uiso 1 2 i calc R . .
H17B H 0.5331 0.9700 0.1121 0.075 Uiso 1 2 i calc R . .
C18 C 0.4200(5) 0.9931(4) 0.2144(4) 0.0629(13) Uani 1 2 i d . . .
H18A H 0.4505 1.0786 0.2389 0.075 Uiso 1 2 i calc R . .
H18B H 0.3200 0.9711 0.2036 0.075 Uiso 1 2 i calc R . .
C19 C 0.6505(5) 0.9982(4) 0.3481(4) 0.0603(12) Uani 1 2 i d . . .
H19A H 0.6710 1.0818 0.3555 0.072 Uiso 1 2 i calc R . .
H19B H 0.6893 0.9596 0.2936 0.072 Uiso 1 2 i calc R . .
C20 C 0.7179(5) 0.9794(3) 0.4654(4) 0.0644(13) Uani 1 2 i d . . .
H20A H 0.8192 1.0184 0.4997 0.077 Uiso 1 2 i calc R . .
H20B H 0.6736 1.0120 0.5181 0.077 Uiso 1 2 i calc R . .
C21 C 0.7945(4) 0.8028(3) -0.0091(3) 0.0322(8) Uani 1 2 i d . . .
C22 C 0.6999(4) 0.7053(3) -0.0119(3) 0.0321(8) Uani 1 2 i d . . .
C23 C 0.6641(4) 0.7033(3) 0.0879(3) 0.0357(9) Uani 1 2 i d . . .
C24 C 0.6386(4) 0.6049(3) -0.1120(3) 0.0388(9) Uani 1 2 i 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
Pt1 S2 2.330(3) 2_775 ?
Pt1 S2 2.330(3) . ?
Pt1 S1 2.333(2) . ?
Pt1 S1 2.333(2) 2_775 ?
Na1 N1 2.494(5) . ?
Na1 O3 2.506(4) . ?
Na1 O2 2.552(4) . ?
Na1 O4 2.581(4) . ?
Na1 O6 2.689(5) . ?
Na1 N2 2.713(6) 2_665 ?
Na1 O1 2.733(4) . ?
Na1 O5 3.105(5) . ?
N1 C23 1.144(4) . ?
N2 C24 1.143(4) . ?
N2 Na1 2.713(6) 2_665 ?
O1 C20 1.429(5) . ?
O1 C1 1.437(4) . ?
O2 C7 1.405(5) . ?
O2 C6 1.428(5) . ?
O3 C8 1.416(5) . ?
O3 C9 1.423(5) . ?
O4 C10 1.406(5) . ?
O4 C11 1.441(5) . ?
O5 C17 1.416(5) . ?
O5 C16 1.425(5) . ?
O6 C19 1.407(5) . ?
O6 C18 1.434(5) . ?
S1 C21 1.726(4) . ?
S2 C21 1.728(4) . ?
C1 C6 1.520(5) . ?
C1 C2 1.525(6) . ?
C1 H1 0.9800 . ?
C2 C3 1.518(5) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.521(6) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C5 1.514(6) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.519(5) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 H6 0.9800 . ?
C7 C8 1.501(6) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.478(6) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C16 1.519(5) . ?
C11 C12 1.526(5) . ?
C11 H11 0.9800 . ?
C12 C13 1.519(6) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.521(6) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.522(5) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.527(5) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16 0.9800 . ?
C17 C18 1.463(6) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.500(6) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.381(5) . ?
C22 C24 1.417(5) . ?
C22 C23 1.428(5) . ?
