Information card for entry 4066465

Structure parameters

• Formula: C14 H48 B16 P2 Pt2
• Calculated formula: C14 H48 B16 P2 Pt2
• SMILES: [Pt]12345([P](CC)(CC)CC)[B]6789([BH]%10%11%12[CH]%13%14[BH]%157%11[BH]7%11%14[BH]%14%12%13[BH]2%11([BH]18%157)[BH]39%10%14)[H][Pt]1236([P](CC)(CC)CC)[B]6785([BH]59%10[CH]%11%12[BH]%1365[BH]65%11[BH]%119%12[BH]25([BH]17%136)[BH]38%10%11)[H]4
• Title of publication: Two Metal−Monocarbollide Relatives of the {B20H18} Double-Cluster Boranes†
• Authors of publication: Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 4790
• a: 13.5666 ± 0.0011 Å
• b: 14.9867 ± 0.0012 Å
• c: 15.0419 ± 0.0013 Å
• α: 90°
• β: 93.577 ± 0.004°
• γ: 90°
• Cell volume: 3052.3 ± 0.4 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: 0.0267
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.0458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No