Crystallography Open Database

Information card for entry 7110830

Preview

Coordinates	7110830.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(bis(2-diphenylphosphinoethyl)phenylphosphine)tris(sigma-allyl)iridium
Formula	C50 H56 Ir P3
Calculated formula	C43 H45 Ir P3
Title of publication	Chemistry of M(allyl)3 (M = Rh, Ir) compounds: structural characterization of tris(allyl)iridium complexes with phosphorus ligands
Authors of publication	John, Kevin D.; Scott, Brian L.; Baker, R. Thomas; Sattelberger, Alfred P.; Salazar, Kenneth V.
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	7
Pages of publication	581
a	11.2226 ± 0.0005 Å
b	25.4429 ± 0.0013 Å
c	16.3141 ± 0.0008 Å
α	90°
β	106.45 ± 0.001°
γ	90°
Cell volume	4467.6 ± 0.4 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	4
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	0.0392
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7110830.cif
95948	2014-01-28	cif/ Adding structures of 7110829, 7110830, 7110831 via cif-deposit CGI script.	7110830.cif