Crystallography Open Database

Information card for entry 4327317

Preview

Coordinates	4327317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H25 Ir3 O10 W2
Calculated formula	C33 H25 Ir3 O10 W2
SMILES	[Ir]123([Ir]456([Ir]7([W]89%10%11%12%1325([W]25%14%1514([C]68=[C]79c1ccccc1)(C3=O)(C#[O])[c]1([c]2([c]5([c]%14([c]%151C)C)C)C)C)(C#[O])[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)(C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O]
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	9.5204 ± 0.0001 Å
b	10.8559 ± 0.0001 Å
c	17.9731 ± 0.0003 Å
α	95.2323 ± 0.0006°
β	99.5846 ± 0.0006°
γ	100.587 ± 0.0005°
Cell volume	1786.18 ± 0.04 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for all reflections included in the refinement	0.035
Goodness-of-fit parameter for all reflections included in the refinement	1.0503
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.	4327317.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327317.cif
61081	2012-06-21	cif/ Adding structures of 4327317 via cif-deposit CGI script.	4327317.cif