Information card for entry 1518312

Structure parameters

• Formula: C25 H23 Cl3 N2 O2 Pt
• Calculated formula: C25 H23 Cl3 N2 O2 Pt
• SMILES: [Pt]1([n]2c(c3[n]1cccc3)cccc2)(Oc1ccc(cc1)C)Oc1ccc(cc1)C.C(Cl)(Cl)Cl
• Title of publication: Reactivity of [PtCl(n2-C2H4)(N-N)]+, N-N = diimine ligand, with phenol derivatives and first comparison between single crystal X-ray structures of syn- and anti-[Pt(N-N)(phenolate)2] rotamers in the solid state
• Authors of publication: Michele Benedetti; Daniela Antonucci; Chiara R. Girelli; Francesco Capitelli; Francesco P. Fanizzi
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2014
• Journal volume: 409
• Pages of publication: 427 - 432
• a: 11.4849 ± 0.0011 Å
• b: 13.7081 ± 0.0005 Å
• c: 16.4876 ± 0.0014 Å
• α: 90°
• β: 103.268 ± 0.01°
• γ: 90°
• Cell volume: 2526.5 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1526
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No