Crystallography Open Database

Information card for entry 7011475

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Coordinates	7011475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H15 N3 O7 Ru
Calculated formula	C14 H15 N3 O7 Ru
SMILES	[Ru]12(OC)(OC(=O)c3[n]1cccc3)(OC(=O)c1[n]2cccc1)N=O.OC
Title of publication	Cis‒trans isomerization of {RuNO}6-type nitrosylruthenium complexes containing 2-pyridinecarboxylate and structural characterization of a µ-H3O2 bridged dinuclear nitrosylruthenium complex
Authors of publication	Hirano, Toshiyuki; Kuroda, Mai; Takeda, Naoko; Hayashi, Mitsunori; Mukaida, Masao; Oi, Takao; Nagao, Hirotaka
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	10
Pages of publication	2158
a	8.12 ± 0.001 Å
b	15.082 ± 0.003 Å
c	7.009 ± 0.001 Å
α	91.963 ± 0.007°
β	103.913 ± 0.006°
γ	97.687 ± 0.01°
Cell volume	823.7 ± 0.2 Å³
Cell temperature	173.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for all reflections included in the refinement	0.0729
Goodness-of-fit parameter for all reflections included in the refinement	1.444
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.	7011475.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011475.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011475.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011475.cif