Crystallography Open Database

Information card for entry 4309368

Preview

Structure parameters

Common name	Compound 1b
Formula	C22 H11 B F15 N
Calculated formula	C22 H11 B F15 N
SMILES	c1(c(c(c(c(c1F)F)F)F)F)[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)[NH2]C(C)(C)C
Title of publication	Intra- and Intermolecular N-H...F-C Hydrogen-Bonding Interactions in Amine Adducts of Tris(pentafluorophenyl)borane and -alane
Authors of publication	Andrew J. Mountford; Simon J. Lancaster; Simon J. Coles; Peter N. Horton; David L. Hughes; Michael B. Hursthouse; Mark E. Light
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	5921 - 5933
a	10.9274 ± 0.0001 Å
b	12.0071 ± 0.0002 Å
c	17.2015 ± 0.0003 Å
α	83.082 ± 0.001°
β	79.117 ± 0.001°
γ	77.607 ± 0.001°
Cell volume	2157.18 ± 0.06 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0628
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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/4309368.html