Information card for entry 7043070

Structure parameters

• Formula: C31 H55 Fe Ge N O S Si3
• Calculated formula: C31 H55 Fe Ge N O S Si3
• SMILES: [Fe]1234(S[GeH2]C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C#[N]c5c(cc(cc5C)C)C)(C#[O])[c]5([c]4([c]3([c]2([c]15C)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: 12.8979 ± 0.0006 Å
• b: 16.6926 ± 0.0006 Å
• c: 17.0382 ± 0.0007 Å
• α: 90°
• β: 97.6371 ± 0.0013°
• γ: 90°
• Cell volume: 3635.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No