Crystallography Open Database

Information card for entry 7004850

Preview

Coordinates	7004850.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H48 Br5 N3 O3 Re
Calculated formula	C24 H48 Br5 N3 O3 Re
SMILES	c1c(C(=O)O)ncc[n]1[Re](Br)(Br)(Br)(Br)Br.C(CCC)[N+](CCCC)(CCCC)CCCC.OC(C)C
Title of publication	Magnetic properties and molecular structures of binuclear (2-pyrazinecarboxylate)-bridged complexes containing Re(IV) and M(II) (M = Co, Ni).
Authors of publication	Cuevas, Alicia; Kremer, Carlos; Hummert, Markus; Schumann, Herbert; Lloret, Francesc; Julve, Miguel; Faus, Juan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	3
Pages of publication	342 - 350
a	15.532 ± 0.0005 Å
b	11.9704 ± 0.0004 Å
c	20.2072 ± 0.0007 Å
α	90°
β	103.215 ± 0.001°
γ	90°
Cell volume	3657.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2295
Residual factor for significantly intense reflections	0.0775
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.149
Goodness-of-fit parameter for all reflections included in the refinement	0.948
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
179752 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/48.	7004850.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004850.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004850.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7004850.cif