Crystallography Open Database

Information card for entry 1577339

Preview

Coordinates	1577339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H113 B Br2 Ge2 O
Calculated formula	C88 H113 B Br2 Ge2 O
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	13.9201 ± 0.0003 Å
b	14.5139 ± 0.0003 Å
c	22.3865 ± 0.0005 Å
α	82.677 ± 0.001°
β	71.937 ± 0.001°
γ	65.73 ± 0.001°
Cell volume	3919.92 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0604
Weighted residual factors for all reflections included in the refinement	0.0626
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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.	1577339.cif