Crystallography Open Database

Information card for entry 7005087

Preview

Coordinates	7005087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H16 Cl O5 Re
Calculated formula	C8 H16 Cl O5 Re
SMILES	[Re](=O)(=O)(=O)(Cl)([O]1CCCC1)[O]1CCCC1
Title of publication	Rhenium oxohalides: synthesis and crystal structures of ReO3Cl(THF)2, ReOCl4(THF), Re2O3Cl6(THF)2, and Re2O3Cl6(H2O)2.
Authors of publication	Noh, Wontae; Girolami, Gregory S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	6
Pages of publication	674 - 679
a	7.724 ± 0.002 Å
b	12.795 ± 0.003 Å
c	12.204 ± 0.003 Å
α	90°
β	98.412 ± 0.004°
γ	90°
Cell volume	1193.1 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
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	0.0404
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.0749
Goodness-of-fit parameter for all reflections included in the refinement	0.956
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
179754 (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 7/00/50.	7005087.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005087.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005087.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005087.cif