Crystallography Open Database

Information card for entry 4319422

4319421 << 4319422 >> 4319423

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Coordinates	4319422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H7 B N10
Calculated formula	C9 H7 B N10
SMILES	N(=N#N)[B](N=N#N)(N=N#N)[n]1cccc2ccccc12
Title of publication	Highly Energetic Tetraazidoborate Anion and Boron Triazide Adducts
Authors of publication	Wolfgang Fraenk; Tassilo Habereder; Anton Hammerl; Thomas M. Klapötke; Burkhard Krumm; Peter Mayer; Heinrich Nöth; Marcus Warchhold
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	1334 - 1340
a	7.2035 ± 0.0007 Å
b	8.2093 ± 0.0008 Å
c	11.642 ± 0.0011 Å
α	104.729 ± 0.002°
β	96.014 ± 0.002°
γ	112.423 ± 0.001°
Cell volume	599.62 ± 0.1 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.1176
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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