Crystallography Open Database

Information card for entry 1543605

Preview

Coordinates	1543605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H14 Cl N3 O3 Pt S
Calculated formula	C11 H14 Cl N3 O3 Pt S
SMILES	c1cccc2C3(C)C(=O)NC(=O)N3[Pt]([n]12)(Cl)[S](C)(C)=O
Title of publication	Platinum and palladium complexes with 5-methyl-5-(2-pyridyl)-2,4-imidazolidenedione: Synthesis, crystal and molecular structure, theoretical study, and pharmacological investigation
Authors of publication	Seyyed Javad Sabounchei; Parisa Shahriary; Yasin Gholiee; Sadegh Salehzadeh; Hamid Reza Khavasi; Abdolkarim Chehregani
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Pages of publication	265 - 275
a	10.6521 ± 0.0006 Å
b	11.2072 ± 0.0007 Å
c	15.103 ± 0.0008 Å
α	70.22 ± 0.004°
β	73.026 ± 0.004°
γ	61.446 ± 0.004°
Cell volume	1471.66 ± 0.16 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0838
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1335
Weighted residual factors for all reflections included in the refinement	0.1432
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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
211137 (current)	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1543605.cif
184222	2016-07-05	cif/ Adding structures of 1543605 via cif-deposit CGI script.	1543605.cif