Information card for entry 7005352

Structure parameters

• Formula: C43 H35 B7 F3 Fe2 N O6 P2
• Calculated formula: C43 H35 B7 F3 Fe2 N O6 P2
• SMILES: [Fe]1234([Fe]56([B]783([BH]391[CH]1%10[BH]%1173[BH]37%10[BH]291[B]467([B]58%113F)F)F)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and reactivity of fluorinated ferracarborane anions.
• Authors of publication: Franken, Andreas; Hodson, Bruce E.; McGrath, Thomas D.; Stone, F Gordon A
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 22
• Pages of publication: 2254 - 2262
• a: 18.942 ± 0.003 Å
• b: 8.7935 ± 0.0013 Å
• c: 27.143 ± 0.004 Å
• α: 90°
• β: 109.138 ± 0.008°
• γ: 90°
• Cell volume: 4271.2 ± 1.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No