Crystallography Open Database

Information card for entry 7106404

Preview

Coordinates	7106404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H4 B D6 F10 N
Calculated formula	C18 H4 B D6 F10 N
SMILES	[BH]([NH3])(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.c1(c(c(c(c(c1[2H])[2H])[2H])[2H])[2H])[2H]
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	16.0167 ± 0.0002 Å
b	6.2535 ± 0.0001 Å
c	17.2985 ± 0.0002 Å
α	90°
β	99.075 ± 0.001°
γ	90°
Cell volume	1710.94 ± 0.04 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0624
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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