Information card for entry 7044054

Structure parameters

• Chemical name: trans-Platinum, [1-[(phenylimino-kN)methyl]-2-naphthalenolato-kO][2-(1-pirazolyl-kN)]phenyl-kC]-
• Formula: C26 H19 N3 O Pt
• Calculated formula: C26 H19 N3 O Pt
• SMILES: [Pt]12(Oc3c(c4c(cc3)cccc4)C=[N]1c1ccccc1)[n]1n(ccc1)c1ccccc21
• Title of publication: Cyclometalated Pt(II) complex with bidentate Schiff-base ligand displaying unexpected cis/trans isomery: synthesis, structures and electronic properties.
• Authors of publication: Poma, Alessandro; Forni, Alessandra; Baldoli, Clara; Mussini, Patrizia Romana; Bossi, Alberto
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 6.0323 ± 0.0002 Å
• b: 17.1459 ± 0.0006 Å
• c: 20.2051 ± 0.0008 Å
• α: 103.023 ± 0.002°
• β: 90.698 ± 0.002°
• γ: 90.502 ± 0.002°
• Cell volume: 2035.75 ± 0.13 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No