Crystallography Open Database

Information card for entry 4107938

Preview

Coordinates	4107938.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	jonbds05
Chemical name	10, [Ni(dippe)(2-cyanobutenyl)]+ BPh4-
Formula	C43 H58 B N Ni P2
Calculated formula	C43 H58 B N Ni P2
Title of publication	Solvent Effects and Activation Parameters in the Competitive Cleavage of C-CN and C-H Bonds in 2-Methyl-3-Butenenitrile Using [(dippe)NiH]2
Authors of publication	Brett D. Swartz; Nicole M. Reinartz; William W. Brennessel; Juventino J. García; William D. Jones
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	8548 - 8554
a	17.418 ± 0.004 Å
b	62.197 ± 0.014 Å
c	14.634 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	15854 ± 6 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.1465
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
178825 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/79.	4107938.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107938.cif
56265	2012-05-10	cif/ Adding structures of 4107938 via cif-deposit CGI script.	4107938.cif