Information card for entry 4070507

Structure parameters

• Formula: C27 H36 B8 P2 Pt
• Calculated formula: C27 H36 B8 P2 Pt
• SMILES: [Pt]123([P](c4ccccc4)(c4ccccc4)CC[P]1(c1ccccc1)c1ccccc1)[BH]145[BH]678[BH]9%10%11[CH2]([BH]%127%10[BH]358[H]%12)[BH]35%11[BH]169[BH]243[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: 11.4458 ± 0.0003 Å
• b: 20.8605 ± 0.0005 Å
• c: 16.5321 ± 0.0004 Å
• α: 90°
• β: 123.187 ± 0.001°
• γ: 90°
• Cell volume: 3303.44 ± 0.15 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.0379
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No