Crystallography Open Database

Information card for entry 7214931

Preview

Coordinates	7214931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Br2 Cd N4 S2
Calculated formula	C14 H12 Br2 Cd N4 S2
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	7.3432 ± 0.0015 Å
b	9.2378 ± 0.0018 Å
c	14.238 ± 0.003 Å
α	103.57 ± 0.03°
β	99.86 ± 0.03°
γ	98.14 ± 0.03°
Cell volume	908.2 ± 0.4 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	0.0418
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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.	7214931.cif
110999	2014-04-20	cif/ Adding structures of 7214930, 7214931, 7214932, 7214933, 7214934 via cif-deposit CGI script.	7214931.cif