Crystallography Open Database

Information card for entry 1519189

1519188 << 1519189 >> 1519190

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Coordinates	1519189.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.; Hibbs, D. E.; Constable, C. P.; Bell, N. A.; Coles, Simon J.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	1997
Pages of publication	97
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 significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.0996
Goodness-of-fit parameter for all reflections included in the refinement	0.944
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.	1519189.cif
135505	2015-05-04	cif/ Adding structures of 1519189 via cif-deposit CGI script.	1519189.cif