Information card for entry 7008217

Structure parameters

• Formula: C17 H42 B16 P2 Pt
• Calculated formula: C17 H42 B16 P2 Pt
• SMILES: [Pt]123([P](c4ccccc4)(C)C)([P](c4ccccc4)(C)C)[BH]456[BH]789[BH]%10%114[BH]4%129[BH]9%138[BH]157[BH]139[H][BH]1%12%13[B]13%104[B]426%11[BH]251[BH]167[BH]428[H][B]128(C)[H][BH]162[H][BH]1357
• Title of publication: Macropolyhedral boron-containing cluster chemistry. The reaction of B16H20 and B14H18 with [PtMe2(PMe2Ph)2] to give [(PMe2Ph)2PtB16H17Me] and [(PMe2Ph)2PtB14H16].
• Authors of publication: Bould, Jonathan; Jelínek, Tomás; Barrett, Simon A.; Coles, Simon J.; Hursthouse, Michael B.; Thornton-Pett, Mark; Stíbr, Bohumil; Kennedy, John D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 8
• Pages of publication: 1499 - 1503
• a: 10.657 ± 0.0002 Å
• b: 16.8137 ± 0.0004 Å
• c: 17.3033 ± 0.0004 Å
• α: 90°
• β: 102.159 ± 0.0013°
• γ: 90°
• Cell volume: 3030.91 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0382
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No