Crystallography Open Database

Information card for entry 1520499

1520498 << 1520499 >> 1520500

Preview

Coordinates	1520499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37.35 H42.46 Cl2 N6 O3.88 Ru
Calculated formula	C37.35 H32 Cl2 N6 O3.88 Ru
Title of publication	Ruthenium catalysts for water oxidation involving tetradentate polypyridine-type ligands.
Authors of publication	Tong, Lianpeng; Zong, Ruifa; Zhou, Rongwei; Kaveevivitchai, Nattawut; Zhang, Gang; Thummel, Randolph P.
Journal of publication	Faraday discussions
Year of publication	2015
Journal volume	185
Pages of publication	87 - 104
a	10.4996 ± 0.0004 Å
b	13.3012 ± 0.0005 Å
c	13.4802 ± 0.0006 Å
α	80.434 ± 0.002°
β	82.981 ± 0.002°
γ	86.221 ± 0.002°
Cell volume	1840.52 ± 0.13 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520499.cif
173771	2016-01-09	cif/ Updating files of 1520499 Original log message: Adding full bibliography for 1520499.cif.	1520499.cif
139028	2015-06-10	cif/ Adding structures of 1520499 via cif-deposit CGI script.	1520499.cif