Information card for entry 4113100

Structure parameters

• Formula: C22 H42 Cl2 Fe O4 Si4
• Calculated formula: C22 H42 Cl2 Fe O4 Si4
• SMILES: [Fe]1([Si](Cl)([Si]1(Cl)[Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Iron Complexes of (E)- and (Z)-1,2-Dichlorodisilenes
• Authors of publication: Hisako Hashimoto; Katsunori Suzuki; Wataru Setaka; Chizuko Kabuto; Mitsuo Kira
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 13628 - 13629
• a: 14.774 ± 0.004 Å
• b: 15.521 ± 0.005 Å
• c: 27.909 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6400 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1744
• Residual factor for significantly intense reflections: 0.1494
• Weighted residual factors for significantly intense reflections: 0.3007
• Weighted residual factors for all reflections included in the refinement: 0.3165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No