Crystallography Open Database

Information card for entry 4333868

Preview

Coordinates	4333868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H61 B Ir P3
Calculated formula	C62 H61 B 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	10.4723 ± 0.0009 Å
b	15.6956 ± 0.0012 Å
c	16.7572 ± 0.0012 Å
α	106.925 ± 0.003°
β	99.159 ± 0.002°
γ	98.728 ± 0.001°
Cell volume	2543.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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 all reflections	0.014
Residual factor for significantly intense reflections	0.0132
Weighted residual factors for significantly intense reflections	0.0319
Weighted residual factors for all reflections included in the refinement	0.0322
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	4333868.cif
99676	2014-02-03	cif/ Adding structures of 4333868 via cif-deposit CGI script.	4333868.cif