Crystallography Open Database

Information card for entry 4319421

4319420 << 4319421 >> 4319422

Preview

Coordinates	4319421.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	BN3
Formula	C18 H40 B2 N26
Calculated formula	C18 H40 B2 N26
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	7.7179 ± 0.0003 Å
b	14.875 ± 0.0008 Å
c	29.5527 ± 0.0015 Å
α	90°
β	95.438 ± 0.006°
γ	90°
Cell volume	3377.5 ± 0.3 Å³
Cell temperature	200 ± 3 K
Ambient diffraction temperature	200 ± 3 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1366
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.169
Weighted residual factors for all reflections included in the refinement	0.1968
Goodness-of-fit parameter for all reflections included in the refinement	0.867
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179274 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/94.	4319421.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319421.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319421.cif
16153	2011-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4319421 via cif-deposit CGI script.	4319421.cif