Crystallography Open Database

Information card for entry 4079321

Preview

Coordinates	4079321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H18 Au Ir4 O11 P
Calculated formula	C30 H18 Au Ir4 O11 P
SMILES	[Ir]123([Ir]456([Ir]71([Ir]24(C6=O)(C7=O)(C#[O])C#[O])(C5=O)(C#[O])C#[O])([Au]3[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C)C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Synthesis and Structures of Iridium‒Gold Carbonyl Cluster Compounds Containing Methyl and σ-Aryl Ligands
Authors of publication	Adams, Richard D.; Chen, Mingwei
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	17
Pages of publication	6457
a	16.853 ± 0.0005 Å
b	9.485 ± 0.0003 Å
c	22.4374 ± 0.0006 Å
α	90°
β	97.109 ± 0.001°
γ	90°
Cell volume	3559.06 ± 0.18 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0776
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
178682 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/93.	4079321.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079321.cif
72401	2013-01-21	cif/ Adding structures of 4079321, 4079322, 4079323, 4079324, 4079325, 4079326 via cif-deposit CGI script.	4079321.cif