Information card for entry 4343382

Structure parameters

• Formula: C23 H21 N O4 Pt
• Calculated formula: C23 H21 N O4 Pt
• SMILES: [Pt]12(c3ccccc3c3cc(c4c(cccc4)[n]13)C(=O)OCC)OC(=CC(=[O]2)C)C
• Title of publication: Phosphorescent, Cyclometalated Cinchophen-Derived Platinum Complexes: Syntheses, Structures, and Electronic Properties.
• Authors of publication: Stacey, Oliver J.; Platts, James A.; Coles, Simon J.; Horton, Peter N.; Pope, Simon J. A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6528 - 6536
• a: 10.1757 ± 0.0004 Å
• b: 10.2522 ± 0.0003 Å
• c: 10.5639 ± 0.0002 Å
• α: 75.248 ± 0.002°
• β: 73.403 ± 0.003°
• γ: 69.265 ± 0.003°
• Cell volume: 973.14 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0317
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No