Crystallography Open Database

Information card for entry 7057300

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Coordinates	7057300.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H34 B9 N
Calculated formula	C18 H34 B9 N
Title of publication	Direct synthesis of dicarbollides
Authors of publication	Tok, Oleg L.; Holub, Josef; Růžička, Aleš; Růžičková, Zdeńka; Štíbr, Bohumil
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	11
Pages of publication	8524
a	10.6513 ± 0.0012 Å
b	10.9291 ± 0.0012 Å
c	11.0788 ± 0.001 Å
α	76.066 ± 0.005°
β	61.595 ± 0.005°
γ	79.713 ± 0.005°
Cell volume	1097.9 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1257
Residual factor for significantly intense reflections	0.0906
Weighted residual factors for significantly intense reflections	0.2266
Weighted residual factors for all reflections included in the refinement	0.2508
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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