Crystallography Open Database

Information card for entry 4129365

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Coordinates	4129365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H61 B2 Li O4
Calculated formula	C46 H61 B2 Li O4
Title of publication	A preorganized ditopic borane as highly efficient one- or two-electron trap.
Authors of publication	Hübner, Alexander; Kaese, Thomas; Diefenbach, Martin; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Holthausen, Max C.; Wagner, Matthias
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	10
Pages of publication	3705 - 3714
a	10.2957 ± 0.0007 Å
b	18.7762 ± 0.001 Å
c	11.7473 ± 0.0008 Å
α	90°
β	113.372 ± 0.005°
γ	90°
Cell volume	2084.6 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0759
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1416
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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