Crystallography Open Database

Information card for entry 4321700

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Coordinates	4321700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H58 Cl F12 N2 O P6 Re
Calculated formula	C61 H58 Cl F24 N2 O P6 Re
Title of publication	Ethanol Oxidation by Imidorhenium(V) Complexes: Formation of Amidorhenium(III) Complexes
Authors of publication	Annette L. Suing; Charlotte R. Dewan; Peter S. White; H. Holden Thorp
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	6080 - 6085
a	11.34 ± 0.003 Å
b	13.134 ± 0.004 Å
c	13.3796 ± 0.0025 Å
α	102.37 ± 0.02°
β	107.688 ± 0.017°
γ	114.408 ± 0.02°
Cell volume	1590.8 ± 0.9 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	8
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.039
Weighted residual factors for all reflections	0.056
Weighted residual factors for significantly intense reflections	0.056
Goodness-of-fit parameter for significantly intense reflections	2.13
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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