Crystallography Open Database

Information card for entry 4114375

Preview

Coordinates	4114375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H27 F3 N2 O3 Ru S
Calculated formula	C23 H27 F3 N2 O3 Ru S
SMILES	[RuH]123456([n]7ccccc7c7[n]1cccc7)[c]1([c]2([c]3([c]4([c]5([c]61C)C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Accelerating Effect of a Proton on the Reduction of CO2 Dissolved in Water under Acidic Conditions. Isolation, Crystal Structure, and Reducing Ability of a Water-Soluble Ruthenium Hydride Complex
Authors of publication	Hideki Hayashi; Seiji Ogo; Tsutomu Abura; Shunichi Fukuzumi
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	14266 - 14267
a	13.371 ± 0.006 Å
b	13.509 ± 0.006 Å
c	13.777 ± 0.007 Å
α	90°
β	107.313 ± 0.006°
γ	90°
Cell volume	2375.8 ± 1.9 Å³
Cell temperature	223.2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4114375.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114375.cif
67688	2012-10-02	cif/ Adding structures of 4114375 via cif-deposit CGI script.	4114375.cif