Crystallography Open Database

Information card for entry 7004977

Preview

Coordinates	7004977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H43 N18 O0.5 Ru2
Calculated formula	C48 H42 N18 O0.5 Ru2
SMILES	[Ru]1(C#N)(C#N)(C#N)(C#N)[n]2ccccc2c2cccc[n]12.[Ru]123([n]4c([nH]cc4)c4[n]1cc[nH]4)([n]1ccccc1c1[n]2cccc1)[n]1c(c2[n]3cccc2)cccc1.N#CC.N#CC.N#CC.N#CC.O
Title of publication	Hydrogen-bonded assemblies of ruthenium(II)-biimidazole complex cations and cyanometallate anions: structures and photophysics.
Authors of publication	Derossi, Sofia; Adams, Harry; Ward, Michael D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	1
Pages of publication	33 - 36
a	38.96 ± 0.008 Å
b	13.84 ± 0.003 Å
c	22.006 ± 0.004 Å
α	90°
β	117.77 ± 0.03°
γ	90°
Cell volume	10499 ± 5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0612
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 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.	7004977.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004977.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004977.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7004977.cif