Information card for entry 7009219

Structure parameters

• Formula: C28 H31 Fe3 O5 Sb
• Calculated formula: C28 H31 Fe3 O5 Sb
• SMILES: [Sb]1([Fe]2345(C#[O])(C#[O])[cH]6[c]2([cH]3[cH]4[c]56C(C)(C)C)C(C)(C)C)[Fe]23456([Fe]789%101(C#[O])(C2=O)[cH]1[cH]%10[cH]9[cH]8[cH]71)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61
• 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: 6.9597 ± 0.0014 Å
• b: 13.363 ± 0.003 Å
• c: 15.702 ± 0.003 Å
• α: 73.79 ± 0.03°
• β: 89.82 ± 0.03°
• γ: 88.65 ± 0.03°
• Cell volume: 1401.9 ± 0.5 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 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: 0.0479
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No