Information card for entry 7009221

Structure parameters

• Formula: C30.67 H24 Bi1.33 Fe4 N1.33 O8
• Calculated formula: C23 H18 Bi Fe3 N O6
• SMILES: [Bi]([Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)([Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)[Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]4[cH]35.CC#N
• 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: 8.144 ± 0.002 Å
• b: 18.352 ± 0.004 Å
• c: 16.518 ± 0.003 Å
• α: 90°
• β: 92.53 ± 0.03°
• γ: 90°
• Cell volume: 2466.4 ± 0.9 ų
• Cell temperature: 193 ± 1 K
• Ambient diffraction temperature: 193 ± 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: 0.0579
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.1362
• Weighted residual factors for significantly intense reflections: 0.1319
• Goodness-of-fit parameter for all reflections: 0.991
• Goodness-of-fit parameter for significantly intense reflections: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No