Information card for entry 4067787

Structure parameters

• Formula: C38 H30 N O2 P Pt
• Calculated formula: C38 H30 N O2 P Pt
• SMILES: [Pt]12(c3ccccc3c3[n]1c(cc(c3)C(=O)OCC)c1c2cccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: New C∧N∧C Bis-Cyclometalated Platinum(II) Complexes: Synthesis, Structures, and Photophysical Properties
• Authors of publication: Fuertes, Sara; Brayshaw, Simon K.; Raithby, Paul R.; Schiffers, Stephanie; Warren, Mark R.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 105
• a: 17.8659 ± 0.0003 Å
• b: 17.1383 ± 0.0002 Å
• c: 9.7579 ± 0.0001 Å
• α: 90°
• β: 101.968 ± 0.001°
• γ: 90°
• Cell volume: 2922.84 ± 0.07 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: 0.0252
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections included in the refinement: 0.0375
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No