Information card for entry 7103351

Structure parameters

• Formula: C45 H44 Cl2 N2 O4 Pt
• Calculated formula: C45 H44 Cl2 N2 O4 Pt
• SMILES: ClCCl.[Pt]12([n]3c(c4[n]1ccc(c4)C(C)(C)C)cc(cc3c1ccccc21)C(C)(C)C)C#Cc1ccc(cc1)c1oc2c(c(=O)c1OCCOC)cccc2
• Title of publication: Cyclometallated platinum(II) complexes incorporating ethynyl-flavone ligands: switching between triplet and singlet emission induced by selective binding of Pb2+ ions.
• Authors of publication: Lanoë, Pierre-Henri; Fillaut, Jean-Luc; Toupet, Loïc; Williams, J A Gareth; Le Bozec, Hubert; Guerchais, Véronique
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 36
• Pages of publication: 4333 - 4335
• a: 11.4614 ± 0.0008 Å
• b: 13.0906 ± 0.0009 Å
• c: 13.8985 ± 0.0007 Å
• α: 72.55 ± 0.005°
• β: 78.944 ± 0.005°
• γ: 81.274 ± 0.006°
• Cell volume: 1942.5 ± 0.2 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 293 ± 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: 0.0589
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No