Crystallography Open Database

Information card for entry 7059684

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Coordinates	7059684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H18 B10 N2
Calculated formula	C9 H18 B10 N2
Title of publication	Synthesis and structure of 3-arylazo derivatives of ortho-carborane
Authors of publication	Shmalko, Akim V.; Anufriev, Sergei A.; Stogniy, Marina Yu.; Suponitsky, Kyrill Yu.; Sivaev, Igor B.
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	25
Pages of publication	10199 - 10202
a	19.235 ± 0.003 Å
b	7.0992 ± 0.0011 Å
c	21.796 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2976.3 ± 0.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1359
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1561
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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