Crystallography Open Database

Information card for entry 4105273

Preview

Coordinates	4105273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H44 F4 Ir O P2
Calculated formula	C31 H44 F4 Ir O P2
Title of publication	Cleavage of sp3 C-O Bonds via Oxidative Addition of C-H Bonds
Authors of publication	Jongwook Choi; Yuriy Choliy; Xiawei Zhang; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	15627 - 15629
a	10.7003 ± 0.0009 Å
b	14.8286 ± 0.0013 Å
c	20.0664 ± 0.0018 Å
α	90°
β	100.499 ± 0.002°
γ	90°
Cell volume	3130.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0367
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0593
Weighted residual factors for all reflections included in the refinement	0.0623
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178798 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/52.	4105273.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105273.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105273.cif
30467	2011-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4105273 via cif-deposit CGI script.	4105273.cif