Crystallography Open Database

Information card for entry 7005525

Preview

Coordinates	7005525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H15 N5 Ni S2
Calculated formula	C12 H15 N5 Ni S2
Title of publication	The first metamagnetic thiocyanato-bridged one-dimensional nickel(II) complex.
Authors of publication	Chattopadhyay, Shouvik; Drew, Michael G. B.; Diaz, Carmen; Ghosh, Ashutosh
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	24
Pages of publication	2492 - 2494
a	7.7083 ± 0.0007 Å
b	12.2654 ± 0.0006 Å
c	15.8917 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1502.5 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
179759 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/55.	7005525.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005525.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005525.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005525.cif