Crystallography Open Database

Information card for entry 4307133

Preview

Coordinates	4307133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 Cl F12 N5 O P2 Ru
Calculated formula	C17 H14 Cl F12 N5 O P2 Ru
SMILES	[Ru]12(Cl)(N=O)([N]#CC)[n]3c(cccc3)c3[n]1c(ccc3)c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Synthesis of Nitrosylruthenium Complexes Containing 2,2':6',2''-Terpyridine by Reactions of Alkoxo Complexes with Acids
Authors of publication	Hirotaka Nagao; Keiji Enomoto; Yuuki Wakabayashi; Gen Komiya; Toshiyuki Hirano; Takao Oi
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	1431 - 1439
a	12.439 ± 0.003 Å
b	12.048 ± 0.003 Å
c	17.201 ± 0.004 Å
α	90°
β	91.0075 ± 0.0009°
γ	90°
Cell volume	2577.4 ± 1.1 Å³
Cell temperature	298.1 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 significantly intense reflections	0.0522
Weighted residual factors for all reflections included in the refinement	0.1735
Goodness-of-fit parameter for all reflections included in the refinement	0.974
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.	4307133.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307133.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307133.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307133.cif