Crystallography Open Database

Information card for entry 4339941

Preview

Coordinates	4339941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H47 Ag F18 N11 P3 Ru2 S2
Calculated formula	C46 H47 Ag F18 N11 P3 Ru2 S2
SMILES	[Ag]([S]1[Ru]23([NH2]CC1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1)[S]1[Ru]23([NH2]CC1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
Title of publication	Thiolato-bridged RuIIAgIRuII trinuclear complex composed of bis(bipyridine)ruthenium(II) units with chelating 2-aminoethanethiolate: conversion to a disulfide-bridged RuIIRuII dinuclear complex.
Authors of publication	Tamura, Motoshi; Matsuura, Noriyuki; Kawamoto, Tatsuya; Konno, Takumi
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	17
Pages of publication	6834 - 6836
a	13.801 ± 0.007 Å
b	31.931 ± 0.015 Å
c	14.241 ± 0.008 Å
α	90°
β	116.438 ± 0.019°
γ	90°
Cell volume	5619 ± 5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	8
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	0.0905
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0692
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	0.725
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179502 (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 4/33/99.	4339941.cif
117630	2014-06-15	cif/ Adding structures of 4339941, 4339942 via cif-deposit CGI script.	4339941.cif