Crystallography Open Database

Information card for entry 1574266

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Coordinates	1574266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114.5 H150 B Cl Ge2 O2
Calculated formula	C114.5 H150 B Cl Ge2 O2
Title of publication	Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion
Authors of publication	Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	18
Pages of publication	7759 - 7765
a	25.9105 ± 0.0014 Å
b	14.4062 ± 0.0008 Å
c	28.4018 ± 0.0016 Å
α	90°
β	109.755 ± 0.003°
γ	90°
Cell volume	9977.7 ± 1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0738
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1256
Weighted residual factors for all reflections included in the refinement	0.1315
Goodness-of-fit parameter for all reflections included in the refinement	1.151
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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