Crystallography Open Database

Information card for entry 7020127

7020126 << 7020127 >> 7020128

Preview

Coordinates	7020127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 N4 Pt S2
Calculated formula	C10 H16 N4 Pt S2
SMILES	[Pt]1(S)(S)=C2N(C=CN2C)CCN2C=CN(C)C=12
Title of publication	Sulfur containing platinum(II) complexes with N-heterocyclic carbene ligands obtained by reactions of a hydrosulfido complex.
Authors of publication	Maeda, Yuri; Hashimoto, Hideki; Nishioka, Takanori
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	39
Pages of publication	12038 - 12047
a	8.6659 ± 0.0017 Å
b	15 ± 0.003 Å
c	11.0087 ± 0.0017 Å
α	90°
β	104.135 ± 0.005°
γ	90°
Cell volume	1387.7 ± 0.4 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 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 significantly intense reflections	0.0512
Weighted residual factors for all reflections included in the refinement	0.1327
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179905 (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 7/02/01.	7020127.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020127.cif
71509	2013-01-20	cif/ Adding structures of 7020124, 7020125, 7020126, 7020127, 7020128 via cif-deposit CGI script.	7020127.cif