Crystallography Open Database

Information card for entry 4107321

Preview

Coordinates	4107321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H55 B Cl4 F27 Ir N O
Calculated formula	C65 H55 B Cl4 F27 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	12.7251 ± 0.0003 Å
b	16.5921 ± 0.0004 Å
c	18.5918 ± 0.0005 Å
α	102.098 ± 0.002°
β	102.096 ± 0.002°
γ	100.019 ± 0.002°
Cell volume	3654.24 ± 0.17 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1112
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1574
Weighted residual factors for all reflections included in the refinement	0.1819
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	4107321.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107321.cif
54986	2012-05-02	cif/ Adding structures of 4107321 via cif-deposit CGI script.	4107321.cif