Crystallography Open Database

Information card for entry 7209764

7209763 << 7209764 >> 7209765

Preview

Coordinates	7209764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H12 Bi Cl3 N6 S3
Calculated formula	C3 H12 Bi Cl3 N6 S3
SMILES	[Bi]([S]=C(N)N)([S]=C(N)N)([S]=C(N)N)(Cl)(Cl)Cl
Title of publication	Crystal growth and characterization of a new polymorph of bismuth trithiourea chloride
Authors of publication	Li, Ming; Li, R. K.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	20
Pages of publication	4176
a	8.503 ± 0.013 Å
b	11.983 ± 0.017 Å
c	15.39 ± 0.02 Å
α	90°
β	90.509 ± 0.018°
γ	90°
Cell volume	1568 ± 4 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0643
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180428 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/97.	7209764.cif
86090	2013-05-09	cif/ Adding structures of 7209764, 7209765 via cif-deposit CGI script.	7209764.cif