Crystallography Open Database

Information card for entry 1518628

Preview

Coordinates	1518628.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Chlorido-(N,N-dimethyl(4-fluoro)benzylamine- κN,κC)(dimethylsulfoxide-κS)platinum(II)
Formula	C11 H17 Cl F N O Pt S
Calculated formula	C11 H17 Cl F N O Pt S
SMILES	[Pt]1(Cl)([S](=O)(C)C)[N](Cc2c1cc(F)cc2)(C)C
Title of publication	Dual Antitumor and Antiangiogenic Activity of Organoplatinum(II) Complexes.
Authors of publication	Zamora, Ana; Pérez, Sergio A; Rodríguez, Venancio; Janiak, Christoph; Yellol, Gorakh S.; Ruiz, José
Journal of publication	Journal of medicinal chemistry
Year of publication	2015
Journal volume	58
Journal issue	3
Pages of publication	1320 - 1336
a	5.9315 ± 0.0003 Å
b	12.1005 ± 0.0005 Å
c	19.7 ± 0.0008 Å
α	90°
β	103.067 ± 0.001°
γ	90°
Cell volume	1377.34 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0236
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0526
Weighted residual factors for all reflections included in the refinement	0.0533
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518628.cif
132910	2015-03-04	cif/ Updating files of 1518628, 1518629 Original log message: Adding full bibliography for 1518628--1518629.cif.	1518628.cif
130671	2015-02-04	cif/ Adding structures of 1518628 via cif-deposit CGI script.	1518628.cif