Crystallography Open Database

Information card for entry 7010277

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Coordinates	7010277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H5 B F5 N7
Calculated formula	C11 H5 B F5 N7
SMILES	Fc1c(c(F)c(F)c(F)c1F)[B]([n]1ccccc1)(N=N#N)N=N#N
Title of publication	Oligomeric pentafluorophenylboron azides
Authors of publication	Fraenk, Wolfgang; Klapötke, Thomas M.; Krumm, Burkhard; Nöth, Heinrich; Suter, Max; Warchhold, Marcus
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	24
Pages of publication	4635
a	7.5637 ± 0.0006 Å
b	13.0402 ± 0.001 Å
c	13.4308 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1324.71 ± 0.17 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.0945
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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