Information card for entry 4308951

Structure parameters

• Common name: agf20: ad13-2
• Formula: C44 H34 N O P Pt
• Calculated formula: C44 H34 N O P Pt
• SMILES: [Pt]1(c2c3c4[n]1cccc4ccc3ccc2)([P](C#Cc1ccccc1)(c1ccccc1)c1ccccc1)C#Cc1ccccc1.O=C(C)C
• Title of publication: Synthesis, Structural Characterization, and Photophysical Properties of Palladium and Platinum(II) Complexes Containing 7,8-Benzoquinolinate and Various Phosphine Ligands
• Authors of publication: Alvaro Díez; Juan Forniés; Ana García; Elena Lalinde; M. Teresa Moreno
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 2443 - 2453
• a: 8.7368 ± 0.0002 Å
• b: 13.2354 ± 0.0003 Å
• c: 16.5095 ± 0.0005 Å
• α: 72.134 ± 0.001°
• β: 84.296 ± 0.001°
• γ: 75.827 ± 0.001°
• Cell volume: 1761.1 ± 0.08 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No