Information card for entry 7026106

Structure parameters

• Formula: C39.5 H39 N2 O2 P Pt
• Calculated formula: C29 H27 N2 O2 P Pt
• SMILES: [Pt]12([P](c3ccccc3C=[N]1CC(=O)N2c1ccccc1CO)(c1ccccc1)c1ccccc1)C
• Title of publication: Flexible kappa4-PNN'O-tetradentate ligands: synthesis, complexation and structural studies.
• Authors of publication: Durran, Sean E.; Elsegood, Mark R. J.; Hammond, Shelly R.; Smith, Martin B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 30
• Pages of publication: 7136 - 7146
• a: 11.8821 ± 0.001 Å
• b: 14.1839 ± 0.0012 Å
• c: 21.8916 ± 0.0018 Å
• α: 90°
• β: 103.746 ± 0.0013°
• γ: 90°
• Cell volume: 3583.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0523
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No