Crystallography Open Database

Information card for entry 4336075

Preview

Coordinates	4336075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H27 N5 O7 Ru
Calculated formula	C31 H27 N5 O7 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	10.289 ± 0.0005 Å
b	16.0184 ± 0.0007 Å
c	17.6378 ± 0.0008 Å
α	90°
β	103.315 ± 0.001°
γ	90°
Cell volume	2828.8 ± 0.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0796
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
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.	4336075.cif
102045	2014-02-19	cif/ Adding structures of 4336075 via cif-deposit CGI script.	4336075.cif