Crystallography Open Database

Information card for entry 4322345

Preview

Coordinates	4322345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H20 Cl2 N2 O12 Pt2
Calculated formula	C29 H20 Cl2 N2 O12 Pt2
Title of publication	Crystal and Molecular Structure of a Potential DNA Groove-Spanning Chelate: [MV][Pt2(hdta)Cl2].4H2O (MV2+= 1,1'-Dimethyl-4,4'-bipyridinium, hdta4-= 1,6-Hexanediamine-N,N,N',N'-tetraacetate)
Authors of publication	Richard A. Kortes; Steven J. Geib; Fu-Tyan Lin; Rex E. Shepherd
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	5045 - 5052
a	22.757 ± 0.005 Å
b	13.566 ± 0.003 Å
c	12.12 ± 0.002 Å
α	90°
β	109.07 ± 0.03°
γ	90°
Cell volume	3536.4 ± 1.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1252
Goodness-of-fit parameter for all reflections included in the refinement	0.93
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179326 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/23.	4322345.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322345.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322345.cif
20616	2011-06-12	../uploads/cif-deposit/cod/cif Adding structures of 4322345 via cif-deposit CGI script.	4322345.cif