Crystallography Open Database

Information card for entry 7110890

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Structure parameters

Chemical name	Bis(pentafluorophenyl)boron azide
Formula	C12 B F10 N3
Calculated formula	C12 B F10 N3
Title of publication	Bis(pentafluorophenyl)boron azide: synthesis and structural characterization of the first dimeric boron azide
Authors of publication	Fraenk, Wolfgang; Klapötke, Thomas M.; Krumm, Burkhard; Mayer, Peter
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	8
Pages of publication	667
a	15.2218 ± 0.0014 Å
b	10.6024 ± 0.0008 Å
c	16.8946 ± 0.0017 Å
α	90°
β	99.728 ± 0.011°
γ	90°
Cell volume	2687.4 ± 0.4 Å³
Cell temperature	200 ± 3 K
Ambient diffraction temperature	200 ± 3 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1354
Weighted residual factors for all reflections included in the refinement	0.1434
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7110890.cif
180222	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/08.	7110890.cif
96000	2014-01-28	cif/ Adding structures of 7110890 via cif-deposit CGI script.	7110890.cif