Information card for entry 4070510

Structure parameters

• Formula: C17 H34 B8 I2 N2 Pt
• Calculated formula: C17 H34 B8 I2 N2 Pt
• SMILES: [Pt]12(I)(I)(C#[N]C(C)(C)C)(C#[N]C(C)(C)C)[BH]345[BH]678[BH]9%10%11[CH](c%12ccccc%12)([BH]%127%10[BH]258[H]%12)[BH]25%11[BH]369[BH]142[H]5
• 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: 14.3012 ± 0.0011 Å
• b: 10.3809 ± 0.0007 Å
• c: 22.6397 ± 0.0014 Å
• α: 90°
• β: 125.297 ± 0.004°
• γ: 90°
• Cell volume: 2743.2 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No