Information card for entry 4306919

Structure parameters

• Formula: C35 H30 N3 O4 P Pt
• Calculated formula: C35 H30 N3 O4 P Pt
• SMILES: [Pd]123N(c4c([N]2=Cc2c([P]1(c1ccccc1)c1ccccc1)cccc2)cccc4)C(=O)CN3C(=O)OCc1ccccc1.O
• Title of publication: Coordination Studies of a New Unsymmetrical κ4-PNN'N''-Tetradentate Ligand: Stepwise Formation and Structural Characterization
• Authors of publication: Sean E. Durran; Mark R. J. Elsegood; Shelly R. Hammond; Martin B. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2755 - 2766
• a: 10.541 ± 0.0007 Å
• b: 12.7066 ± 0.0009 Å
• c: 22.8534 ± 0.0016 Å
• α: 90°
• β: 94.996 ± 0.002°
• γ: 90°
• Cell volume: 3049.4 ± 0.4 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: 0.0352
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.0449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No