Crystallography Open Database

Information card for entry 7005449

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Coordinates	7005449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H69 Er2 N22 O19.5 Ru3
Calculated formula	C56 H44 Er2 N22 O19.5 Ru3
Title of publication	Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, near-infrared luminescent lanthanide(iii) cations, and ancillary oligopyridine ligands: structures and photophysical properties
Authors of publication	Baca, Svetlana G.; Adams, Harry; Sykes, Daniel; Faulkner, Stephen; Ward, Michael D.
Journal of publication	Dalton Transactions
Year of publication	2007
Journal issue	23
Pages of publication	2419
a	15.55 ± 0.003 Å
b	15.8 ± 0.003 Å
c	17.72 ± 0.004 Å
α	111.07 ± 0.03°
β	95.38 ± 0.03°
γ	95.64 ± 0.03°
Cell volume	4003.6 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1123
Residual factor for significantly intense reflections	0.0828
Weighted residual factors for significantly intense reflections	0.1755
Weighted residual factors for all reflections included in the refinement	0.1901
Goodness-of-fit parameter for all reflections included in the refinement	1.142
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.	7005449.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005449.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005449.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005449.cif