Crystallography Open Database

Information card for entry 7017724

Preview

Coordinates	7017724.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H4 Cd N4 S2
Calculated formula	C6 H4 Cd N4 S2
Title of publication	New cadmium thio- and selenocyanato coordination compounds: structural snapshots on the reaction pathway to more condensed anionic networks.
Authors of publication	Jess, Inke; Boeckmann, Jan; Näther, Christian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	1
Pages of publication	228 - 236
a	5.6358 ± 0.0009 Å
b	12.4946 ± 0.0015 Å
c	7.1516 ± 0.0013 Å
α	90°
β	105.634 ± 0.014°
γ	90°
Cell volume	484.96 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0595
Weighted residual factors for all reflections included in the refinement	0.0636
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
179881 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/77.	7017724.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017724.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017724.cif
33402	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7017723, 7017724, 7017725, 7017726, 7017727, 7017728 via cif-deposit CGI script.	7017724.cif