Crystallography Open Database

Information card for entry 1577338

Preview

Coordinates	1577338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C95 H130 B Cl Ge2 K O3
Calculated formula	C95 H130 B Cl Ge2 K 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	13.9575 ± 0.0003 Å
b	24.6291 ± 0.0004 Å
c	25.533 ± 0.0005 Å
α	90°
β	98.924 ± 0.001°
γ	90°
Cell volume	8671 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0744
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1363
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	1577338.cif