Information card for entry 4067790

Structure parameters

• Formula: C29 H28 N2 O2 Pt
• Calculated formula: C29 H28 N2 O2 Pt
• SMILES: [Pt]12(c3ccccc3c3[n]1c(cc(c3)C(=O)OCC)c1c2cccc1)[n]1ccc(cc1)C(C)(C)C
• 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: 8.6021 ± 0.0001 Å
• b: 12.1749 ± 0.0003 Å
• c: 13.2392 ± 0.0003 Å
• α: 115.847 ± 0.003°
• β: 104.631 ± 0.002°
• γ: 90.247 ± 0.002°
• Cell volume: 1196.9 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0215
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections included in the refinement: 0.0323
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No