Crystallography Open Database

Information card for entry 1568186

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Coordinates	1568186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H69 B2 Li N2 O9
Calculated formula	C41 H69 B2 Li N2 O9
Title of publication	Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.
Authors of publication	Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	4
Pages of publication	849 - 860
a	12.6287 ± 0.0012 Å
b	21.7373 ± 0.0013 Å
c	17.0233 ± 0.0015 Å
α	90°
β	110.611 ± 0.007°
γ	90°
Cell volume	4374 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.1104
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1386
Weighted residual factors for all reflections included in the refinement	0.1657
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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