Crystallography Open Database

Information card for entry 7012360

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Coordinates	7012360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40.5 H27 F12 N10 O P2 Ru
Calculated formula	C40 H24 F12 N10 P2 Ru
SMILES	[Ru]123([n]4cccc5c4c4[n]1cccc4c1nc4c(nc51)cc(c(c4)C#N)C#N)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Ruthenium(ii) complex of bis(2,2???-bipyridine)(6,7-dicyanodipyrido[3,2-a:2???,3???-c]phenazine): synthesis, structure, electrochemical and luminescence studies
Authors of publication	Rusanova, Julia; Decurtins, Silvio; Rusanov, Eduard; Stoeckli-Evans, Helen; Delahaye, Sandra; Hauser, Andreas
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	23
Pages of publication	4318
a	9.304 ± 0.002 Å
b	37.034 ± 0.007 Å
c	12.014 ± 0.002 Å
α	90°
β	97.54 ± 0.03°
γ	90°
Cell volume	4103.8 ± 1.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1495
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.1406
Goodness-of-fit parameter for all reflections included in the refinement	0.917
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.	7012360.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	7012360.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012360.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012360.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012360.cif