Information card for entry 7042522

Structure parameters

• Chemical name: hydroge-bridged bis(silylene)iron complex
• Formula: C21 H40 Fe O Si2
• Calculated formula: C21 H40 Fe O Si2
• SMILES: [Fe]12345(C#[O])([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)[Si]1([Si]5(C)(C(C)(C)C)[H]1)(C)C(C)(C)C
• Title of publication: Hydrogen-bridged bis(silylene) complexes of ruthenium and iron: synthesis, structures and multi-centre bonding interactions at the M‒Si‒H‒Si four-membered ring
• Authors of publication: Hashimoto, Hisako; Komura, Katsuto; Ishizaki, Takatoshi; Odagiri, Yuto; Tobita, Hiromi
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.3327 ± 0.0004 Å
• b: 9.4416 ± 0.0007 Å
• c: 16.908 ± 0.0012 Å
• α: 98.2428 ± 0.0015°
• β: 92.326 ± 0.003°
• γ: 114.276 ± 0.003°
• Cell volume: 1192.74 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No