Information card for entry 1568318

Structure parameters

• Formula: C58 H70 Fe Ge3 N4
• Calculated formula: C58 H70 Fe Ge3 N4
• SMILES: [Ge]1([Ge]([Ge]([Fe]1(=C1N(C(=C(N1C(C)C)C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 12.2039 ± 0.0002 Å
• b: 20.0943 ± 0.0003 Å
• c: 22.0081 ± 0.0004 Å
• α: 90°
• β: 98.0205 ± 0.0016°
• γ: 90°
• Cell volume: 5344.23 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1582
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.4122 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No