Crystallography Open Database

Information card for entry 1519182

1519181 << 1519182 >> 1519183

Preview

Coordinates	1519182.cif

Structure parameters

Formula	C14 H8 Hg N2 S4
Calculated formula	C14 H8 Hg N2 S4
Title of publication	bis(1,3-Benzothiazole-2-thiolato-S)-mercury(ii)
Authors of publication	Sammon, C.; Raper, E. S.; Mansor, R.; Hursthouse, Michael B.; Hibbs, D. E.; Constable, C. P.; Coles, Simon J.; Bell, N. A.
Journal of publication	Crystal Structure Report Archive
Year of publication	1997
Pages of publication	225
a	11.817 ± 0.002 Å
b	5.983 ± 0.0008 Å
c	31.689 ± 0.01 Å
α	90°
β	97.34 ± 0.04°
γ	90°
Cell volume	2222.1 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for all reflections	0.0997
Weighted residual factors for significantly intense reflections	0.0964
Goodness-of-fit parameter for all reflections	0.94
Goodness-of-fit parameter for significantly intense reflections	1.038
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519182.cif
135498	2015-05-04	cif/ Adding structures of 1519182 via cif-deposit CGI script.	1519182.cif