Crystallography Open Database

Information card for entry 7001227

Preview

Coordinates	7001227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H43 Cl17 O3 P2 Re2
Calculated formula	C43 H43 Cl17 O3 P2 Re2
SMILES	[Re](=O)(Cl)(Cl)(Cl)(Cl)O[Re](=O)(Cl)(Cl)(Cl)Cl.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CC.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CC.C(Cl)(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
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	11.961 ± 0.005 Å
b	12.91 ± 0.005 Å
c	19.574 ± 0.008 Å
α	83.68 ± 0.03°
β	75.51 ± 0.03°
γ	78.86 ± 0.03°
Cell volume	2865 ± 2 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	0.0676
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0537
Weighted residual factors for all reflections included in the refinement	0.0594
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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.	7001227.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001227.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001227.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001227.cif