Crystallography Open Database

Information card for entry 4078119

Preview

Coordinates	4078119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H24 B10
Calculated formula	C12 H25 B10
Title of publication	Reaction of Carboryne with Alkylbenzenes
Authors of publication	Wang, Sunewang Rixin; Xie, Zuowei
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	8
Pages of publication	3316
a	13.7034 ± 0.0007 Å
b	11.7088 ± 0.0006 Å
c	10.3673 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1663.44 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0645
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1605
Weighted residual factors for all reflections included in the refinement	0.1763
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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