Information card for entry 7026518

Structure parameters

• Common name: (PPh3)2PtSeDbb_CH2Cl2
• Chemical name: selenaplatinacycle
• Formula: C53 H44 Cl2 P2 Pt Se
• Calculated formula: C53 H44 Cl2 P2 Pt Se
• SMILES: [Pt]1([Se]C23C1CC(c1c2cccc1)c1c3cccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Thermal reaction of a (hydrido)(selenolato)platinum(II) complex having a dibenzobarrelenyl group leading to three cyclometalations.
• Authors of publication: Ishii, Akihiko; Yamaguchi, Yuki; Nakata, Norio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 27
• Pages of publication: 6181 - 6183
• a: 10.5381 ± 0.0008 Å
• b: 12.8984 ± 0.001 Å
• c: 17.2005 ± 0.0014 Å
• α: 84.159 ± 0.002°
• β: 80.716 ± 0.002°
• γ: 78.702 ± 0.002°
• Cell volume: 2256.7 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No