Crystallography Open Database

Information card for entry 1543606

Preview

Coordinates	1543606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H9 N3 O2
Calculated formula	C9 H9 N3 O2
SMILES	c1cccc(C2(C)C(=O)NC(=O)N2)n1
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	23.214 ± 0.003 Å
b	11.1781 ± 0.0013 Å
c	7.3468 ± 0.0011 Å
α	90°
β	107.068 ± 0.01°
γ	90°
Cell volume	1822.4 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
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	0.087
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	1543606.cif
184223	2016-07-05	cif/ Adding structures of 1543606 via cif-deposit CGI script.	1543606.cif