Crystallography Open Database

Information card for entry 4336076

Preview

Coordinates	4336076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H38 F12 N6 O P2 Ru
Calculated formula	C46 H38 F12 N6 O P2 Ru
Title of publication	A Ru(II) Bis-terpyridine-like Complex that Catalyzes Water Oxidation: The Influence of Steric Strain
Authors of publication	Nattawut Kaveevivitchai; Lars Kohler; Ruifa Zong; Maya El Ojaimi; Nirja Mehta; Randolph P. Thummel
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	10615 - 10622
a	8.8235 ± 0.0002 Å
b	13.1861 ± 0.0003 Å
c	18.6756 ± 0.0004 Å
α	90°
β	93.768 ± 0.001°
γ	90°
Cell volume	2168.16 ± 0.08 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.0928
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179463 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/60.	4336076.cif
102046	2014-02-19	cif/ Adding structures of 4336076 via cif-deposit CGI script.	4336076.cif