Crystallography Open Database

Information card for entry 7006378

Preview

Coordinates	7006378.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H23 Er0.5 K0.5 N7.5 O4.5 Ru
Calculated formula	C18 H13 Er0.5 K0.5 N7 O5 Ru
Title of publication	New members of the [Ru(diimine)(CN)(4)](2-) family: structural, electrochemical and photophysical properties.
Authors of publication	Adams, Harry; Alsindi, Wassim Z.; Davies, Graham M.; Duriska, Martin B.; Easun, Timothy L.; Fenton, Hazel E.; Herrera, Juan-Manuel; George, Michael W.; Ronayne, Kate L.; Sun, Xue-Zhong; Towrie, Michael; Ward, Michael D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	1
Pages of publication	39 - 50
a	28.636 ± 0.006 Å
b	14.487 ± 0.003 Å
c	15.487 ± 0.003 Å
α	90°
β	103.05 ± 0.03°
γ	90°
Cell volume	6259 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1668
Residual factor for significantly intense reflections	0.0915
Weighted residual factors for significantly intense reflections	0.2636
Weighted residual factors for all reflections included in the refinement	0.3235
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
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.	7006378.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006378.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006378.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006378.cif