Information card for entry 4306917

Structure parameters

• Formula: C40 H42 N3 O4 P Pt
• Calculated formula: C40 H42 N3 O4 P Pt
• SMILES: [Pt]12(N(c3c([N]2=Cc2c([P]1(c1ccccc1)c1ccccc1)cccc2)cccc3)C(=O)CNC(=O)OCc1ccccc1)C.CCOCC
• 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: 10.9918 ± 0.0004 Å
• b: 20.1329 ± 0.0008 Å
• c: 16.9331 ± 0.0006 Å
• α: 90°
• β: 101.717 ± 0.002°
• γ: 90°
• Cell volume: 3669.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No