Crystallography Open Database

Information card for entry 4115006

Preview

Coordinates	4115006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H29 Ir N2 O
Calculated formula	C25 H29 Ir N2 O
Title of publication	Heterocumulene Metathesis by Iridium Guanidinate and Ureylene Complexes: Catalysis Involving Reversible Insertion To Form Six-Membered Metallacycles
Authors of publication	Andrew W. Holland; Robert G. Bergman
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	9010 - 9011
a	8.7517 ± 0.0002 Å
b	11.3891 ± 0.0002 Å
c	12.1388 ± 0.0001 Å
α	72.591 ± 0.001°
β	79.509 ± 0.001°
γ	75.557 ± 0.001°
Cell volume	1110.43 ± 0.03 Å³
Cell temperature	159.2 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 significantly intense reflections	0.0222
Weighted residual factors for all reflections included in the refinement	0.027
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4115006.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115006.cif
68392	2012-10-26	cif/ Adding structures of 4115006 via cif-deposit CGI script.	4115006.cif