Information card for entry 7005508

Structure parameters

• Formula: C18 H35 B9 O P2 Pt
• Calculated formula: C18 H35 B9 O P2 Pt
• SMILES: [P](C)(C)(c1ccccc1)[Pt]123([P](C)(C)c4ccccc4)[BH]456[BH]789[BH]%1014[BH]147[BH]7%118[BH]859[BH2]%11([B]368OC)[BH]47[CH]2%101
• Title of publication: Polyhedral metallaheteroborane chemistry. Synthesis, spectroscopy, structure and dynamics of eleven-vertex {RhNB(9)} and {PtCB(9)} metallaheteroboranes.
• Authors of publication: Macías, Ramón; Bould, Jonathan; Holub, Josef; Kennedy, John D.; Stíbr, Bohumil; Thornton-Pett, Mark
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 27
• Pages of publication: 2885 - 2897
• a: 18.217 ± 0.002 Å
• b: 13.785 ± 0.002 Å
• c: 20.778 ± 0.004 Å
• α: 90°
• β: 99.89 ± 0.01°
• γ: 90°
• Cell volume: 5140.3 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No