Information card for entry 4135437

Structure parameters

• Formula: C87 H97 Ge2 N4 S2
• Calculated formula: C87 H97 Ge2 N4 S2
• Title of publication: Isolation of a Ge(I) Diradicaloid and Dihydrogen Splitting.
• Authors of publication: Sharma, Mahendra K.; Ebeler, Falk; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 11.0725 ± 0.0003 Å
• b: 16.4856 ± 0.0006 Å
• c: 22.3612 ± 0.0007 Å
• α: 101.491 ± 0.003°
• β: 101.127 ± 0.002°
• γ: 100.578 ± 0.002°
• Cell volume: 3818.7 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0698
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No