Crystallography Open Database

Information card for entry 4001065

Preview

Coordinates	4001065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H10 Bi N3 O7.5 S0.5
Calculated formula	C11 H10 Bi N3 O7.5 S0.5
Title of publication	Synthesis of Bi2S3Nanostructures from Bismuth(III) Thiourea and Thiosemicarbazide Complexes
Authors of publication	Stavila, Vitalie; Whitmire, Kenton H.; Rusakova, Irene
Journal of publication	Chemistry of Materials
Year of publication	2009
Journal volume	21
Journal issue	22
Pages of publication	5456
a	8.0243 ± 0.0016 Å
b	10.283 ± 0.002 Å
c	18.892 ± 0.004 Å
α	78.1 ± 0.03°
β	78.59 ± 0.03°
γ	76.55 ± 0.03°
Cell volume	1465 ± 0.6 Å³
Cell temperature	294 ± 1 K
Ambient diffraction temperature	294 ± 1 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	0.0361
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4001065.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001065.cif
38954	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4001064, 4001065 via cif-deposit CGI script.	4001065.cif