Crystallography Open Database

Information card for entry 7219114

7219113 << 7219114 >> 7219115

Preview

Coordinates	7219114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 S2
Calculated formula	C12 H10 S2
SMILES	S(Sc1ccccc1)c1ccccc1
Title of publication	Cubic Ag2O nanoparticles incorporated mesoporous silica with large bottle-neck like mesopore for the aerobic oxidative synthesis of disulfide
Authors of publication	Das, Paramita; Ray, Suman; Bhaumik, Asim; Banerjee, Biplab; Mukhopadhyay, Chhanda
Journal of publication	RSC Adv.
Year of publication	2014
a	5.642 ± 0.0004 Å
b	8.1176 ± 0.0006 Å
c	23.6684 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	1084 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0373
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.1022
Goodness-of-fit parameter for all reflections included in the refinement	0.799
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
180522 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/91.	7219114.cif
128805	2014-12-17	cif/ Adding structures of 7219114, 7219115 via cif-deposit CGI script.	7219114.cif