Information card for entry 4070504

Structure parameters

• Formula: C22 H41 B8 N3 Pt
• Calculated formula: C22 H41 B8 N3 Pt
• SMILES: [Pt]12(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]2%11[BH]369[B]142C#[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: 11.4393 ± 0.0003 Å
• b: 11.523 ± 0.0003 Å
• c: 12.9427 ± 0.0003 Å
• α: 80.784 ± 0.001°
• β: 81.299 ± 0.002°
• γ: 61.667 ± 0.001°
• Cell volume: 1476.71 ± 0.07 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No