Crystallography Open Database

Information card for entry 7708789

Preview

Coordinates	7708789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H30 B12 Br2 S
Calculated formula	C12 H30 B12 Br2 S
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	9.8716 ± 0.0005 Å
b	26.4281 ± 0.0015 Å
c	9.6977 ± 0.0005 Å
α	90°
β	114.193 ± 0.001°
γ	90°
Cell volume	2307.8 ± 0.2 Å³
Cell temperature	274 ± 2 K
Ambient diffraction temperature	274 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0708
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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