Crystallography Open Database

Information card for entry 4107320

Preview

Coordinates	4107320.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H39 F3 Ir N O
Calculated formula	C31 H39 F3 Ir N O
Title of publication	Redox-Switched Oxidation of Dihydrogen Using a Non-Innocent Ligand
Authors of publication	Mark R. Ringenberg; Swarna Latha Kokatam; Zachariah M. Heiden; Thomas B. Rauchfuss
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	788 - 789
a	10.9623 ± 0.0002 Å
b	22.194 ± 0.0005 Å
c	12.8804 ± 0.0003 Å
α	90°
β	112.154 ± 0.001°
γ	90°
Cell volume	2902.41 ± 0.11 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0559
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4107320.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107320.cif
54985	2012-05-02	cif/ Adding structures of 4107320 via cif-deposit CGI script.	4107320.cif