Crystallography Open Database

Information card for entry 4069863

Preview

Coordinates	4069863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H60 Br N3 O P Re
Calculated formula	C39 H60 Br N3 O P Re
Title of publication	Development of Rhenium Catalysts for Amine Borane Dehydrocoupling and Transfer Hydrogenation of Olefins
Authors of publication	Jiang, Yanfeng; Blacque, Olivier; Fox, Thomas; Frech, Christian M.; Berke, Heinz
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	18
Pages of publication	5493
a	12.3151 ± 0.0001 Å
b	17.3984 ± 0.0001 Å
c	18.9751 ± 0.0002 Å
α	90°
β	104.296 ± 0.001°
γ	90°
Cell volume	3939.76 ± 0.06 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0568
Weighted residual factors for all reflections included in the refinement	0.0585
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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