Crystallography Open Database

Information card for entry 7214934

Preview

Coordinates	7214934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H9 Cd N5 S5
Calculated formula	C13 H9 Cd N5 S5
Title of publication	New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization
Authors of publication	Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	23
Pages of publication	8000
a	8.4933 ± 0.0017 Å
b	10.509 ± 0.002 Å
c	11.826 ± 0.002 Å
α	81.38 ± 0.03°
β	73.21 ± 0.03°
γ	70.39 ± 0.03°
Cell volume	950.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.032
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.0669
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
180480 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/49.	7214934.cif
110999	2014-04-20	cif/ Adding structures of 7214930, 7214931, 7214932, 7214933, 7214934 via cif-deposit CGI script.	7214934.cif