Crystallography Open Database

Information card for entry 4130327

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Coordinates	4130327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H82 B2 K2 O4
Calculated formula	C56 H82 B2 K2 O4
Title of publication	Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).
Authors of publication	Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	19
Pages of publication	6224 - 6233
a	15.5756 ± 0.0007 Å
b	21.2523 ± 0.001 Å
c	17.6877 ± 0.0008 Å
α	90°
β	112.775 ± 0.004°
γ	90°
Cell volume	5398.4 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0812
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1262
Weighted residual factors for all reflections included in the refinement	0.1398
Goodness-of-fit parameter for all reflections included in the refinement	0.966
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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