Information card for entry 4070503

Structure parameters

• Formula: C11 H30 B8 N2 Pt
• Calculated formula: C11 H30 B8 N2 Pt
• SMILES: [BH]1234[BH]567[BH]892[CH2]5[BH2]257[BH]746[BH]461[BH]38([H]9)[Pt]4(C#[N]C(C)(C)C)([BH]276[H]5)C#[N]C(C)(C)C
• Title of publication: Synthesis and Reactivity of 10-Vertexarachno-Platinacarboranes
• Authors of publication: Carr, Michael J.; McGrath, Thomas D.; Stone, F. Gordon A.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 9
• Pages of publication: 2099
• a: 11.6161 ± 0.0008 Å
• b: 17.703 ± 0.0012 Å
• c: 9.5129 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1956.2 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No