Information card for entry 7005353

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]567([BH]891[CH]1%10[BH]%1128[BH]281[BH]59%10[B]162([B]37([B]4%1181F)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: 16.6161 ± 0.0009 Å
• b: 13.4715 ± 0.0008 Å
• c: 20.3842 ± 0.001 Å
• α: 90°
• β: 106.618 ± 0.003°
• γ: 90°
• Cell volume: 4372.3 ± 0.4 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: 0.1515
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.1929
• Weighted residual factors for all reflections included in the refinement: 0.2279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No