Crystallography Open Database

Information card for entry 4109035

Preview

Coordinates	4109035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H41 Cl Ir O P
Calculated formula	C21 H41 Cl Ir O P
Title of publication	Unexpected C-C Bond Cleavage and C-C Bond Formation Observed in the Reaction of a Cationic Iridium Complex with Heteroatom-Substituted Cyclopropanes
Authors of publication	Mitchell R. Anstey; Cathleen M. Yung; Juana Du; Robert G. Bergman
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	776 - 777
a	15.512 ± 0.002 Å
b	10.083 ± 0.001 Å
c	16.336 ± 0.002 Å
α	90°
β	111.022 ± 0.002°
γ	90°
Cell volume	2385 ± 0.5 Å³
Cell temperature	173.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for all reflections	0.0466
Weighted residual factors for all reflections included in the refinement	0.041
Goodness-of-fit parameter for all reflections included in the refinement	1.291
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.	4109035.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109035.cif
57786	2012-05-21	cif/ Adding structures of 4109035 via cif-deposit CGI script.	4109035.cif