Crystallography Open Database

Information card for entry 4333867

Preview

Coordinates	4333867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H56 Ir P3
Calculated formula	C58 H56 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	19.598 ± 0.0004 Å
b	10.5302 ± 0.0003 Å
c	25.0275 ± 0.0006 Å
α	90°
β	117.445 ± 0.001°
γ	90°
Cell volume	4583.7 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0177
Residual factor for significantly intense reflections	0.0153
Weighted residual factors for significantly intense reflections	0.0368
Weighted residual factors for all reflections included in the refinement	0.0375
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4333867.cif
99675	2014-02-03	cif/ Adding structures of 4333867 via cif-deposit CGI script.	4333867.cif