Crystallography Open Database

Information card for entry 1518352

Preview

Coordinates	1518352.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Cu(I)Cl trithiocyanurate
Formula	C3 H3 Cl Cu N3 S3
Calculated formula	C3 H3 Cl Cu N3 S3
Title of publication	Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor
Authors of publication	Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	2
Pages of publication	1465
a	11.70071 ± 0.00013 Å
b	11.70071 ± 0.00013 Å
c	11.70071 ± 0.00013 Å
α	90°
β	90°
γ	90°
Cell volume	1601.9 ± 0.03 Å³
Cell temperature	120.05 ± 0.1 K
Ambient diffraction temperature	120.05 ± 0.1 K
Number of distinct elements	6
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0723
Goodness-of-fit parameter for all reflections included in the refinement	0.972
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	1518352.cif
133090	2015-03-06	cif/ Updating files of 1518352, 1518353, 1518354 Original log message: Adding full bibliography for 1518352--1518354.cif.	1518352.cif
128032	2014-12-02	cif/ Adding structures of 1518352, 1518353, 1518354 via cif-deposit CGI script.	1518352.cif