Crystallography Open Database

Information card for entry 4108982

Preview

Coordinates	4108982.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	O[Ir[(C6H3Me2)]3]2
Chemical name	Oxobis(tris(dimethylphenyl)iridium(IV)) deuterodichloromethane solvate
Formula	C49 H54 Cl2 D2 Ir2 O
Calculated formula	C49.0002 H56.0004 Cl2 Ir2 O
Title of publication	Ultrafast and Ultraslow Oxygen Atom Transfer Reactions between Late Metal Centers
Authors of publication	Kevin C. Fortner; David S. Laitar; John Muldoon; Lihung Pu; Sonja B. Braun-Sand; Olaf Wiest; Seth N. Brown
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	588 - 600
a	16.2538 ± 0.0003 Å
b	16.2538 ± 0.0003 Å
c	16.2538 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4294.03 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0177
Residual factor for significantly intense reflections	0.0156
Weighted residual factors for all reflections	0.0396
Weighted residual factors for all reflections included in the refinement	0.0385
Goodness-of-fit parameter for all reflections	1.082
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
178835 (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 4/10/89.	4108982.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108982.cif
57716	2012-05-18	cif/ Adding structures of 4108982 via cif-deposit CGI script.	4108982.cif