Crystallography Open Database

Information card for entry 7001225

Preview

Coordinates	7001225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 Cl8 O3 P2 Re2
Calculated formula	C40 H40 Cl8 O3 P2 Re2
SMILES	[Re](O[Re](=O)(Cl)(Cl)(Cl)Cl)(=O)(Cl)(Cl)(Cl)Cl.[P+](CC)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](CC)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Remarkably stable dinuclear, diamagnetic rhenium(VI) salts with the [ReOCl4OReOCl4]2− anion
Authors of publication	Hołyńska, Małgorzata; Lis, Tadeusz
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	19
Pages of publication	3840 - 3846
a	16.762 ± 0.005 Å
b	14.459 ± 0.004 Å
c	18.389 ± 0.006 Å
α	90°
β	93.19 ± 0.03°
γ	90°
Cell volume	4450 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1147
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0472
Weighted residual factors for all reflections included in the refinement	0.0549
Goodness-of-fit parameter for all reflections included in the refinement	0.827
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
179709 (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 7/00/12.	7001225.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001225.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001225.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001225.cif