Information card for entry 7043068

Structure parameters

• Formula: C31 H55 Fe Ge N O2 Si3
• Calculated formula: C31 H55 Fe Ge N O2 Si3
• SMILES: [Fe]12345([GeH](OC=[N]1c1c(cc(cc1C)C)C)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C#[O])[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: An Iron Germylene Complex Having Fe-H and Ge-H Bonds: Synthesis, Structure and Reactivity
• Authors of publication: Dhungana, Tara Prasad; Hashimoto, Hisako; Tobita, Hiromi
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 16.4196 ± 0.0008 Å
• b: 23.5939 ± 0.0008 Å
• c: 9.1101 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3529.3 ± 0.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No