Crystallography Open Database

Information card for entry 7009445

Preview

Coordinates	7009445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H18 Cl3 N5 O2 Ru
Calculated formula	C4 H16.56 Cl3 N5 O2 Ru
Title of publication	X-Ray diffraction and spectroscopic studies of the light-induced metastable state of a ethylenediamine nitrosyl ruthenium complex
Authors of publication	Kawano, Masaki; Ishikawa, Ayako; Morioka, Yoshiyuki; Tomizawa, Hiroshi; Miki, Ei-ichi; Ohashi, Yuji
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	14
Pages of publication	2425
a	15.4889 ± 0.0003 Å
b	8.4263 ± 0.0002 Å
c	10.0578 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1312.68 ± 0.05 Å³
Cell temperature	106 ± 2 K
Ambient diffraction temperature	106 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0238
Residual factor for significantly intense reflections	0.0184
Weighted residual factors for significantly intense reflections	0.0367
Weighted residual factors for all reflections included in the refinement	0.0375
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179798 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/94.	7009445.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009445.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009445.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009445.cif