Crystallography Open Database

Information card for entry 4116109

Preview

Coordinates	4116109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H42 Ir2 O12
Calculated formula	C76 H104 Ir4 O24
Title of publication	Anti-Markovnikov Olefin Arylation Catalyzed by an Iridium Complex
Authors of publication	Takaya Matsumoto; Douglas J. Taube; Roy A. Periana; Henry Taube; Hajime Yoshida
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	7414 - 7415
a	8.394 ± 0.001 Å
b	14.177 ± 0.002 Å
c	8.089 ± 0.002 Å
α	93.2 ± 0.02°
β	96.77 ± 0.02°
γ	98.74 ± 0.01°
Cell volume	942.1 ± 0.3 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0375
Weighted residual factors for all reflections included in the refinement	0.0375
Goodness-of-fit parameter for all reflections included in the refinement	0.741
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.	4116109.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116109.cif
70687	2013-01-03	cif/ Adding structures of 4116109 via cif-deposit CGI script.	4116109.cif