Crystallography Open Database

Information card for entry 2311597

Preview

Coordinates	2311597.cif
Original IUCr paper	HTML

Structure parameters

Common name	[Co(NH3)6][ReF6]
Chemical name	Tris[hexaamminecobalt(III)] tetraoxidorhenate(VII) tetrakis[hexafluoridorhenate(IV)] hexahydrate
Formula	Co3 F24 H54 N18 O10 Re5
Calculated formula	Co3 F24 H54 N18 O10 Re5
SMILES	[F-][Re](F)(F)(F)(F)[F-].[F-][Re](F)(F)(F)(F)[F-].[NH3][Co]([NH3])([NH3])([NH3])([NH3])[NH3].O=[Re](=O)(=O)[O-].[Re](F)(F)(F)(F)([F-])[F-].O.O.[Co]([NH3])([NH3])([NH3])([NH3])([NH3])[NH3].[Re](F)(F)(F)(F)([F-])[F-].O.O.O.[NH3][Co]([NH3])([NH3])([NH3])([NH3])[NH3].O
Title of publication	An unexpected rhenium(IV)-rhenium(VII) salt: [Co(NH<sub>3</sub>)<sub>6</sub>]<sub>3</sub>[Re<sup>VII</sup>O<sub>4</sub>][Re<sup>IV</sup>F<sub>6</sub>]<sub>4</sub>·6H<sub>2</sub>O.
Authors of publication	Louis-Jean, James; Mariappan Balasekaran, Samundeeswari; Hagenbach, Adelheid; Poineau, Frederic
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2019
Journal volume	75
Journal issue	Pt 8
Pages of publication	1158 - 1161
a	15.982 ± 0.003 Å
b	15.982 ± 0.003 Å
c	29.74 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	6579 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1122
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
246007 (current)	2019-12-25	cif/ Adding structures of 2311597 via cif-deposit CGI script.	2311597.cif