Crystallography Open Database

Information card for entry 4337405

Preview

Coordinates	4337405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 Cl N4 O10 Ru
Calculated formula	C17 H18 Cl N4 O10 Ru
Title of publication	Water Oxidation Catalyzed by Mononuclear Ruthenium Complexes with a 2,2'-Bipyridine-6,6'-dicarboxylate (bda) Ligand: How Ligand Environment Influences the Catalytic Behavior.
Authors of publication	Staehle, Robert; Tong, Lianpeng; Wang, Lei; Duan, Lele; Fischer, Andreas; Ahlquist, Mårten S G; Sun, Licheng; Rau, Sven
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	3
Pages of publication	1307 - 1319
a	10.902 ± 0.0006 Å
b	10.183 ± 0.001 Å
c	18.918 ± 0.0013 Å
α	90°
β	99.319 ± 0.006°
γ	90°
Cell volume	2072.5 ± 0.3 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	6
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	0.0431
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0602
Weighted residual factors for all reflections included in the refinement	0.0663
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179477 (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 4/33/74.	4337405.cif
106341	2014-03-15	cif/ Adding structures of 4337404, 4337405 via cif-deposit CGI script.	4337405.cif