Crystallography Open Database

Information card for entry 4081878

Preview

Coordinates	4081878.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Hydrido{nitroso[tris(perfluorophenyl)borane-κ<i>N</i>]}{bis[tris(1-methylethyl)phopshane]rhenium ditoluene solvate
Formula	C50 H59 B F15 N2 O2 P2 Re
Calculated formula	C50 H59 B F15 N2 O2 P2 Re
Title of publication	Efficient Lewis Acid Promoted Alkene Hydrogenations Using Dinitrosyl Rhenium(−I) Hydride Catalysts
Authors of publication	Jiang, Yanfeng; Huang, Wenjing; Schmalle, Helmut W.; Blacque, Olivier; Fox, Thomas; Berke, Heinz
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	23
Pages of publication	7043
a	12.3134 ± 0.0012 Å
b	14.7301 ± 0.0014 Å
c	15.8643 ± 0.0016 Å
α	91.361 ± 0.012°
β	90.335 ± 0.012°
γ	113.642 ± 0.011°
Cell volume	2634.8 ± 0.5 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0461
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1113
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178707 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/18.	4081878.cif
91789	2013-12-13	cif/ Adding structures of 4081878 via cif-deposit CGI script.	4081878.cif