Crystallography Open Database

Information card for entry 4323782

Preview

Coordinates	4323782.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	mer-Tris(carbonyl)iridium(III)fluorosulfate
Formula	C3 F3 Ir O12 S3
Calculated formula	C3 F3 Ir O12 S3
Title of publication	Synthesis, Molecular Structure, and Vibrational Spectra of mer-Tris(carbonyl)iridium(III) Fluorosulfate, mer-Ir(CO)~3(SO~3F)~3
Authors of publication	Changqing Wang; Andrew R. Lewis; Raymond J. Batchelor; Frederick W. B. Einstein; Helge Willner; Friedhelm Aubke
Journal of publication	Inorganic Chemistry
Year of publication	1996
Journal volume	35
Pages of publication	1279 - 1285
a	8.476 ± 0.001 Å
b	12.868 ± 0.002 Å
c	12.588 ± 0.001 Å
α	90°
β	108.24 ± 0.01°
γ	90°
Cell volume	1304 ± 0.3 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.022
Weighted residual factors for significantly intense reflections	0.024
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	MolybdenumKα
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.	4323782.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4323782.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4323782.cif
24031	2011-08-12	../uploads/cif-deposit/cod/cif Adding structures of 4323782 via cif-deposit CGI script.	4323782.cif