Information card for entry 1568316

Structure parameters

• Formula: C46 H62 Fe Ge2 N4
• Calculated formula: C46 H62 Fe Ge2 N4
• Title of publication: Germanium hydrides as an efficient hydrogen-storage material operated by an iron catalyst.
• Authors of publication: Kobayashi, Yoshinao; Sunada, Yusuke
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1065 - 1071
• a: 12.836 ± 0.004 Å
• b: 12.928 ± 0.004 Å
• c: 13.403 ± 0.004 Å
• α: 90°
• β: 104.798 ± 0.004°
• γ: 90°
• Cell volume: 2150.4 ± 1.1 ų
• Cell temperature: 203 K
• Ambient diffraction temperature: 203 K
• Number of distinct elements: 5
• 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: 0.0878
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No