Crystallography Open Database

Information card for entry 4333866

Preview

Coordinates	4333866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H55 Au Cl Ir P3
Calculated formula	C59 H55 Au Cl Ir P3
Title of publication	Reactivity of a Mononuclear Iridium(I) Species Bearing a Terminal Phosphido Fragment Embedded in a Triphosphorus Ligand
Authors of publication	Yann Gloaguen; Wesley Jacobs; Bas de Bruin; Martin Lutz; Jarl Ivar van der Vlugt
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1682 - 1684
a	9.8713 ± 0.0002 Å
b	23.4251 ± 0.0005 Å
c	21.4253 ± 0.0005 Å
α	90°
β	97.098 ± 0.001°
γ	90°
Cell volume	4916.34 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for significantly intense reflections	0.0423
Weighted residual factors for all reflections included in the refinement	0.0441
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179441 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/38.	4333866.cif
99674	2014-02-03	cif/ Adding structures of 4333866 via cif-deposit CGI script.	4333866.cif