Information card for entry 4323297

Structure parameters

• Formula: C25 H40 Bi2 Fe3 N2 O9
• Calculated formula: C25 H40 Bi2 Fe3 N2 O9
• SMILES: [Bi]12[Fe]3(C#[O])(C#[O])(C#[O])[Bi]4[Fe]1([Fe]234(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].CC[N+](CC)(CC)CC.C([N+](CC)(CC)CC)C
• Title of publication: Effect of Hybridization on Structure and Bonding of Cluster Compounds Possessing a Square-Pyramidal Fe3(CO)9E2 Core (E = Element of Group 15 or 16)
• Authors of publication: Jeffrey R. Eveland; Jean-Yves Saillard; Kenton H. Whitmire
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 330 - 334
• a: 7.28 ± 0.001 Å
• b: 20.642 ± 0.004 Å
• c: 22.365 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3360.9 ± 1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1222
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections: 0.2205
• Weighted residual factors for significantly intense reflections: 0.1744
• Goodness-of-fit parameter for all reflections: 1.012
• Goodness-of-fit parameter for significantly intense reflections: 1.008
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No