Crystallography Open Database

Information card for entry 4327321

Preview

Coordinates	4327321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H27 Cl2 Ir3 O13 W3
Calculated formula	C38 H27 Cl2 Ir3 O13 W3
Title of publication	Mixed-Metal Cluster Chemistry. 28. Core Enlargement of Tungsten-Iridium Clusters with Alkynyl, Ethyndiyl, and Butadiyndiyl Reagents
Authors of publication	Gulliver T. Dalton; Lydie Viau; Susan M. Waterman; Mark G. Humphrey; Michael I. Bruce; Paul J. Low; Rachel L. Roberts; Anthony C. Willis; George A. Koutsantonis; Brian W. Skelton; Allan H. White
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	3261 - 3269
a	10.3264 ± 0.0001 Å
b	13.5767 ± 0.0002 Å
c	15.6551 ± 0.0003 Å
α	103.9 ± 0.0008°
β	93.3532 ± 0.001°
γ	95.1018 ± 0.001°
Cell volume	2114.86 ± 0.06 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0363
Residual factor for significantly intense reflections	0.033
Weighted residual factors for all reflections	0.0413
Weighted residual factors for significantly intense reflections	0.039
Weighted residual factors for all reflections included in the refinement	0.039
Goodness-of-fit parameter for all reflections included in the refinement	0.9797
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.	4327321.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327321.cif
61085	2012-06-21	cif/ Adding structures of 4327321 via cif-deposit CGI script.	4327321.cif