Crystallography Open Database

Information card for entry 7106405

Preview

Coordinates	7106405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 B F10 Li N O4
Calculated formula	C20 H19 B F10 Li N O4
SMILES	[BH]([NH2][Li]123[O]4CC[O]1CC[O]2CC[O]3CC4)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	The hafnium-mediated NH activation of an amido-borane
Authors of publication	Elizabeth A. Jacobs; Anna-Marie Fuller; Simon J. Lancaster; Joseph A. Wright
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	5870
a	8.907 ± 0.0007 Å
b	10.7113 ± 0.0008 Å
c	12.1263 ± 0.0011 Å
α	90°
β	103.42 ± 0.009°
γ	90°
Cell volume	1125.33 ± 0.16 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0472
Weighted residual factors for all reflections included in the refinement	0.0492
Goodness-of-fit parameter for all reflections included in the refinement	0.882
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7106405.html