Information card for entry 7009220

Structure parameters

• Formula: C15 H21 Cl2 Fe O2 Sb
• Calculated formula: C15 H21 Cl2 Fe O2 Sb
• SMILES: [Sb]([Fe]1234(C#[O])(C#[O])[cH]5[c]4([cH]3[cH]2[c]15C(C)(C)C)C(C)(C)C)(Cl)Cl
• Title of publication: Structure and reactivity of transition metal substituted dichloroantimony and dichlorobismuth complexes †
• Authors of publication: Gröer, Thomas; Scheer, Manfred
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 647
• a: 11.919 ± 0.002 Å
• b: 10.089 ± 0.002 Å
• c: 15.006 ± 0.003 Å
• α: 90°
• β: 94.68 ± 0.03°
• γ: 90°
• Cell volume: 1798.5 ± 0.6 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 6
• 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: 0.2047
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No