Information card for entry 4060222

Structure parameters

• Formula: C12 H44 B20 P2 Pt Si2
• Calculated formula: C12 H44 B20 P2 Pt Si2
• SMILES: [Pt]12([P]([C]3456[C]789([Si]1(C)C)[BH]1%103[BH]3%114[BH]4%125[BH]567[BH]67%12[BH]%12%114[BH]4%103[BH]381[BH]956[BH]7%1243)(C)C)[P]([C]1345[C]678([Si]2(C)C)[BH]291[BH]1%103[BH]3%114[BH]456[BH]56%11[BH]%11%103[BH]391[BH]172[BH]845[BH]6%1131)(C)C
• Title of publication: Synthesis, Structure, and DFT Calculation of (Phosphino-o-carboranyl)silyl Group 10 Metal Complexes: Formation of Stable trans-Bis(P,Si-chelate)metal Complexes
• Authors of publication: Young-Joo Lee; Jong-Dae Lee; Sung-Joon Kim; Samrok Keum; Jaejung Ko; Il-Hwan Suh; Minserk Cheong; Sang Ook Kang
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Pages of publication: 203 - 214
• a: 9.5 ± 0.0009 Å
• b: 22.6734 ± 0.0014 Å
• c: 14.6629 ± 0.0006 Å
• α: 90°
• β: 95.864 ± 0.005°
• γ: 90°
• Cell volume: 3141.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.236
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No