Crystallography Open Database

Information card for entry 7708787

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Coordinates	7708787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H46 B12 Br2 Si4
Calculated formula	C18 H46 B12 Br2 Si4
Title of publication	Diboration of Alkenes and Alkynes with a Carborane-Fused Four-Membered Boracycle Bearing an Electron-Precise B-B Bond
Authors of publication	Zhong, Minling; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei
Journal of publication	Dalton Transactions
Year of publication	2021
a	9.2458 ± 0.0003 Å
b	13.6832 ± 0.0005 Å
c	14.5973 ± 0.0005 Å
α	75.755 ± 0.001°
β	85.964 ± 0.001°
γ	87.73 ± 0.001°
Cell volume	1785.04 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0532
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1429
Weighted residual factors for all reflections included in the refinement	0.1435
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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