Crystallography Open Database

Information card for entry 4106454

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Coordinates	4106454.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H90 B2 D2
Calculated formula	C56 H90 B2 D2
Title of publication	Boron-Boron σ-Bond Formation by Two-Electron Reduction of a H-Bridged Dimer of Monoborane
Authors of publication	Yoshiaki Shoji; Tsukasa Matsuo; Daisuke Hashizume; Matthias J. Gutmann; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	11058 - 11061
a	21.668 ± 0.004 Å
b	10.302 ± 0.002 Å
c	22.374 ± 0.005 Å
α	90°
β	91.61 ± 0.013°
γ	90°
Cell volume	4992.4 ± 1.7 Å³
Cell temperature	40 K
Ambient diffraction temperature	40 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0739
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1289
Weighted residual factors for all reflections included in the refinement	0.132
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation probe	neutron
Diffraction radiation type	white-beam
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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