Crystallography Open Database

Information card for entry 4324563

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Coordinates	4324563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H46 Cl4 N8 O6 Re2
Calculated formula	C57 H46 Cl4 N8 O6 Re2
Title of publication	Oxorhenium(V) Complexes with Pyrazole Based Aryloxide Ligands and Application in Olefin Epoxidation
Authors of publication	Pedro Traar; Jörg A. Schachner; Lisa Steiner; Anna Sachse; Manuel Volpe; Nadia C. Mösch-Zanetti
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	1983 - 1990
a	10.304 ± 0.0003 Å
b	16.1853 ± 0.0006 Å
c	16.8848 ± 0.0006 Å
α	72.512 ± 0.002°
β	85.985 ± 0.001°
γ	75.62 ± 0.001°
Cell volume	2601.6 ± 0.16 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	0.0425
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0495
Weighted residual factors for all reflections included in the refinement	0.0559
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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