Crystallography Open Database

Information card for entry 7029967

Preview

Coordinates	7029967.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 N10 Ni O8 S2
Calculated formula	C18 H28 N10 Ni O8 S2
Title of publication	Neutral Ni(II), Pd(II) and Pt(II) ONS-pincer complexes of 5-acetylbarbituric-4N-dimethylthiosemicarbazone: synthesis, characterization and properties.
Authors of publication	Castiñeiras, Alfonso; Fernández-Hermida, Nuria; García-Santos, Isabel; Gómez-Rodríguez, Lourdes
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	43
Pages of publication	13486 - 13495
a	10.2231 ± 0.0006 Å
b	12.9966 ± 0.0013 Å
c	13.1332 ± 0.001 Å
α	63.518 ± 0.006°
β	81.209 ± 0.006°
γ	87.715 ± 0.007°
Cell volume	1542.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180005 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/99.	7029967.cif
111046	2014-04-20	cif/ Adding structures of 7029967, 7029968, 7029969 via cif-deposit CGI script.	7029967.cif