Crystallography Open Database

Information card for entry 4102947

Preview

Coordinates	4102947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B H5 K N
Calculated formula	B H5 K N
Title of publication	Potassium(I) Amidotrihydroborate: Structure and Hydrogen Release
Authors of publication	Himashinie V. K. Diyabalanage; Tessui Nakagawa; Roshan P. Shrestha; Troy A. Semelsberger; Benjamin L. Davis; Brian L. Scott; Anthony K. Burrell; William I. F. David; Kate R. Ryan; Martin Owen Jones; Peter P. Edwards
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	11836 - 11837
a	9.349 ± 0.005 Å
b	8.209 ± 0.005 Å
c	17.192 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	1319.4 ± 1.3 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0764
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1405
Weighted residual factors for all reflections included in the refinement	0.1845
Goodness-of-fit parameter for all reflections included in the refinement	0.697
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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