Crystallography Open Database

Information card for entry 7037951

Preview

Coordinates	7037951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H14 Cl4 N2 Pt
Calculated formula	C10 H14 Cl4 N2 Pt
SMILES	[Pt]1(Cl)(Cl)[n]2c(cccc2)C[N]1(CCCl)CCCl
Title of publication	Anticancer activity of a cis-dichloridoplatinum(ii) complex of a chelating nitrogen mustard: insight into unusual guanine binding mode and low deactivation by glutathione.
Authors of publication	Karmakar, Subhendu; Purkait, Kallol; Chatterjee, Saptarshi; Mukherjee, Arindam
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	8
Pages of publication	3599 - 3615
a	8.5829 ± 0.0011 Å
b	10.4134 ± 0.0011 Å
c	15.2859 ± 0.0016 Å
α	90°
β	98.844 ± 0.01°
γ	90°
Cell volume	1350 ± 0.3 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0712
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation probe	x-ray
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
177844 (current)	2016-03-05	cif/ Updating files of 7037951 Original log message: Adding full bibliography for 7037951.cif.	7037951.cif
174406	2016-01-13	cif/ Adding structures of 7037951 via cif-deposit CGI script.	7037951.cif