Crystallography Open Database

Information card for entry 4324564

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Coordinates	4324564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H28 Cl4 N4 O3.5 Re
Calculated formula	C31 H28 Cl4 N4 O3.5 Re
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	34.108 ± 0.004 Å
b	12.7947 ± 0.0016 Å
c	15.1945 ± 0.0019 Å
α	90°
β	107.172 ± 0.005°
γ	90°
Cell volume	6335.3 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0697
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1759
Weighted residual factors for all reflections included in the refinement	0.1963
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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