Crystallography Open Database

Information card for entry 7012139

Preview

Coordinates	7012139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H22 Cl F9 N4 Nd O9 Re S3
Calculated formula	C41 H22 Cl F9 N4 Nd O9 Re S3
Title of publication	A simple, general synthesis of mixed d‒f complexes containing both {Re(CO)3Cl(diimine)} and lanthanide-tris(β-diketonate) luminophores linked by bis-diimine bridging ligands
Authors of publication	Nail M. Shavaleev; Zöe R. Bell; Michael D. Ward
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2002
Journal issue	21
Pages of publication	3925 - 3927
a	8.8 ± 0.003 Å
b	38.712 ± 0.008 Å
c	13.527 ± 0.003 Å
α	90°
β	100.45 ± 0.02°
γ	90°
Cell volume	4532 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	9
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	0.0976
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7012139.cif
179825	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/21.	7012139.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012139.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012139.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012139.cif