Crystallography Open Database

Information card for entry 4111963

4111962 << 4111963 >> 4111964

Preview

Coordinates	4111963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H40 Ir2 O12
Calculated formula	C24 H40 Ir2 O12
Title of publication	CH Activation with an O-Donor Iridium-Methoxo Complex
Authors of publication	William J. Tenn; Kenneth J. H. Young; Gaurav Bhalla; Jonas Oxgaard; William A. Goddard; Roy A. Periana
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	14172 - 14173
a	7.8771 ± 0.0016 Å
b	11.924 ± 0.002 Å
c	16.046 ± 0.003 Å
α	80.722 ± 0.004°
β	84.914 ± 0.003°
γ	84.786 ± 0.003°
Cell volume	1477.1 ± 0.5 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0975
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1361
Weighted residual factors for all reflections included in the refinement	0.1484
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
178890 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/19.	4111963.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111963.cif
63580	2012-08-05	cif/ Adding structures of 4111963 via cif-deposit CGI script.	4111963.cif