Information card for entry 7019481

Structure parameters

• Formula: C49 H97 B22 N5 P2 Pt Se2 Sn2
• Calculated formula: C49 H97 B22 N5 P2 Pt Se2 Sn2
• SMILES: [P]1(CCC[P](c2ccccc2)(c2ccccc2)[Pt]1([Se][Sn]1234[BH]567[BH]893[BH]3%102[BH]2%111[BH]1%123[BH]3%132[BH]25([BH]5%123[BH]8%101[BH]6925)[BH]47%11%13)[Se][Sn]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%158[BH]8%16%17[BH]59%14[BH]47%17[BH]43%16[BH]%12%158[BH]2%134[BH]16%10%11)(c1ccccc1)c1ccccc1.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.N#CC.CC#N.N#CC
• Title of publication: Selenium adducts of germa- and stanna-closo-dodecaborate: coordination at platinum, structural studies and NMR spectroscopy.
• Authors of publication: Dimmer, Jörg-Alexander; Hornung, Martin; Eichele, Klaus; Wesemann, Lars
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 29
• Pages of publication: 8989 - 8996
• a: 12.2305 ± 0.0005 Å
• b: 22.4498 ± 0.0008 Å
• c: 26.3787 ± 0.0009 Å
• α: 90°
• β: 101.093 ± 0.003°
• γ: 90°
• Cell volume: 7107.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.057
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No