Crystallography Open Database

Information card for entry 1519188

1519187 << 1519188 >> 1519189

Preview

Coordinates	1519188.cif

Structure parameters

Formula	C6 H10 Br2 Hg N2 S4
Calculated formula	C6 H10 Br2 Hg N2 S4
SMILES	[Hg](Br)(Br)([S]=C1SCCN1)[S]=C1SCCN1
Title of publication	Dibromo-bis(1,3-thiazolidine-2-thione)-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	96
a	7.623 ± 0.001 Å
b	8.951 ± 0.001 Å
c	10.914 ± 0.002 Å
α	82.76 ± 0.01°
β	73.33 ± 0.006°
γ	80.54 ± 0.02°
Cell volume	701.24 ± 0.18 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	0.0396
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for all reflections	0.1008
Weighted residual factors for significantly intense reflections	0.1001
Goodness-of-fit parameter for all reflections	1.035
Goodness-of-fit parameter for significantly intense reflections	1.081
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.	1519188.cif
135504	2015-05-04	cif/ Adding structures of 1519188 via cif-deposit CGI script.	1519188.cif