Information card for entry 2007245

Structure parameters

• Chemical name: 1-Phenyl-3,3-bis(triethylphosphine)-1,2-dicarba-3-platina-closo-dodecaborane
• Formula: C20.5 H46 B9 Cl P2 Pt
• Calculated formula: C20.5 H46 B9 Cl P2 Pt
• SMILES: [Pt]123([P](CC)(CC)CC)([P](CC)(CC)CC)[CH]456[C]78(c9ccccc9)[BH]9%101[BH]1%117[BH]748[BH]48%11[BH]%11%101[BH]139[BH]325[BH]674[BH]8%1113.C(Cl)Cl
• Title of publication: 1-Phenyl-3,3-bis(triethylphosphine)-1,2-dicarba-3-platina-<i>closo</i>-dodecaborane 0.5-Dichloromethane Solvate
• Authors of publication: Thomas, Rhodri Ll.; Welch, Alan J.; Kyd, Gwenda O.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 588 - 591
• a: 33.354 ± 0.007 Å
• b: 10.26 ± 0.002 Å
• c: 17.4 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5954 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.075
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes