Information card for entry 1568317

Structure parameters

• Formula: C74 H90 Fe Ge4 N4 O2
• Calculated formula: C74 H90 Fe Ge4 N4 O2
• SMILES: [Ge]1([Ge]([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)(c1ccccc1)c1ccccc1.O(C)CCOC
• 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: 14.0493 ± 0.0006 Å
• b: 24.0246 ± 0.0009 Å
• c: 19.8466 ± 0.0007 Å
• α: 90°
• β: 92.615 ± 0.004°
• γ: 90°
• Cell volume: 6691.8 ± 0.4 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No