Crystallography Open Database

Information card for entry 7010642

Preview

Coordinates	7010642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 F6 N5 O4 P Ru
Calculated formula	C15 H11 F6 N5 O4 P Ru
SMILES	[Ru]12([OH2])(N=O)(N(=O)=O)[n]3c(cccc3)c3[n]1c(ccc3)c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Reactions of [RuCl2(NO)(terpy)]+ (terpy = 2,2' : 6',2″-terpyridine) with mono anions such as NO2‒, Br‒ and N3‒, and structural studies on terpyridineruthenium having a nitrosyl ligand
Authors of publication	Hirano, Toshiyuki; Ueda, Koji; Mukaida, Masao; Nagao, Hirotaka; Oi, Takao
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	16
Pages of publication	2341
a	9.7439 ± 0.0005 Å
b	13.9922 ± 0.0008 Å
c	14.654 ± 0.001 Å
α	90°
β	106.286 ± 0.002°
γ	90°
Cell volume	1917.7 ± 0.2 Å³
Cell temperature	296.2 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	0.0598
Weighted residual factors for all reflections included in the refinement	0.0957
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7010642.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010642.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010642.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010642.cif