Information card for entry 7005357

Structure parameters

• Formula: C15 H29 B7 F3 Fe2 N2 O4 P
• Calculated formula: C15 H29 B7 F3 Fe2 N2 O4 P
• SMILES: [Fe]123([Fe]456([BH]789[CH]%10%11[BH]%12%13%14[BH]%157%10[B]2%14([B]15%13([BH]48%11%12)F)([B]369%15F)F)(C#[O])(C#[O])C#[O])([P](CC)(CC)CC)(C#[N]C(C)(C)C)N=O
• 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: 9.902 ± 0.0013 Å
• b: 11.1053 ± 0.0014 Å
• c: 13.2738 ± 0.0016 Å
• α: 76.602 ± 0.008°
• β: 77.069 ± 0.008°
• γ: 63.929 ± 0.007°
• Cell volume: 1263 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No