Information card for entry 7009222

Structure parameters

• Formula: C30 H42 Bi Cl Fe2 O4
• Calculated formula: C30 H42 Bi Cl Fe2 O4
• SMILES: [Bi]([Fe]1234(C#[O])(C#[O])[cH]5[c]1([cH]2[cH]3[c]45C(C)(C)C)C(C)(C)C)([Fe]1234(C#[O])(C#[O])[cH]5[c]1([cH]2[cH]3[c]45C(C)(C)C)C(C)(C)C)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: 10.479 ± 0.002 Å
• b: 15.405 ± 0.003 Å
• c: 20.248 ± 0.004 Å
• α: 90°
• β: 98.84 ± 0.03°
• γ: 90°
• Cell volume: 3229.8 ± 1.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections: 0.1409
• Weighted residual factors for significantly intense reflections: 0.1371
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No