Crystallography Open Database

Information card for entry 7028072

Preview

Coordinates	7028072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H9 Cd I3 S
Calculated formula	C3 Cd I3 S2
Title of publication	Metal iodides in polyiodide networks. The structural chemistry of CdI2 with an excess of iodine *
Authors of publication	Svensson, Per H.; Bengtsson-Kloo, Lars; Persson, Per
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1998
Journal issue	9
Pages of publication	1425
a	8.941 ± 0.002 Å
b	17.112 ± 0.003 Å
c	8.388 ± 0.002 Å
α	90°
β	105.42 ± 0.01°
γ	90°
Cell volume	1237.2 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.045
Goodness-of-fit parameter for significantly intense reflections	2.014
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
192782 (current)	2017-03-02	cod/ (antanas@echidna.ibt.lt) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5004). The correction was mainly focused on removing misspelt versions of the '_publ_contact_author' loop data items.	7028072.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7028072.cif
97576	2014-01-29	cif/ Adding structures of 7028070, 7028071, 7028072, 7028073 via cif-deposit CGI script.	7028072.cif