Crystallography Open Database

Information card for entry 4321701

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Coordinates	4321701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H52 Cl2 F12 N P6 Re
Calculated formula	C58 H52 Cl2 F24 N 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	11.9403 ± 0.0006 Å
b	14.6673 ± 0.0008 Å
c	17.2664 ± 0.0009 Å
α	92.019 ± 0.001°
β	97.379 ± 0.001°
γ	90.134 ± 0.001°
Cell volume	2996.9 ± 0.3 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.043
Weighted residual factors for all reflections	0.11
Weighted residual factors for significantly intense reflections	0.05
Goodness-of-fit parameter for significantly intense reflections	2.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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