Crystallography Open Database

Information card for entry 1577337

Preview

Coordinates	1577337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H133 B Ge2 O3
Calculated formula	C96 H133 B Ge2 O3
Title of publication	Three reversibly interconvertible redox states of boradigermaallyl: syntheses of radical allyl anion and allyl dianion.
Authors of publication	Miehe, Stefan F.; Eichele, Klaus; Schubert, Hartmut; Bettinger, Holger F.; Sindlinger, Christian P.; Wesemann, Lars
Journal of publication	Chemical science
Year of publication	2026
Journal volume	17
Journal issue	17
Pages of publication	8622 - 8629
a	14.16 ± 0.03 Å
b	15.57 ± 0.03 Å
c	23.12 ± 0.04 Å
α	95.88 ± 0.1°
β	106.07 ± 0.13°
γ	111.83 ± 0.1°
Cell volume	4425 ± 16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0731
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1231
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

Version history

Revision	Date	Message	Files
306195 (current)	2026-06-04	cif/ Adding structures of 1577336, 1577337, 1577338, 1577339, 1577340 via cif-deposit CGI script.	1577337.cif