Information card for entry 4070605

Structure parameters

• Formula: C19 H26 B7 Co2 Fe O9 P
• Calculated formula: C19 H26 B7 Co2 Fe O9 P
• SMILES: [Fe]1234([C]56([BH]781[BH]195[BH]526[BH]269[BH]981[BH]137[BH]452[CH]691)OC[C]12=[CH]3[Co]1(C#[O])(C#[O])(C#[O])[Co]23(C#[O])(C#[O])C#[O])(C#[O])(C#[O])[P](CC)(CC)CC
• Title of publication: A 10-Vertex Iron−Dicarbollide System Formed by Insertion of {Fe(CO)4} into 8-Vertex [closo-1-CB7H8]−: Synthesis and Reactivity Studies
• Authors of publication: Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 5
• Pages of publication: 908
• a: 7.5362 ± 0.0003 Å
• b: 8.3695 ± 0.0004 Å
• c: 23.0178 ± 0.001 Å
• α: 84.158 ± 0.002°
• β: 83.378 ± 0.003°
• γ: 83.582 ± 0.002°
• Cell volume: 1427.28 ± 0.11 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No