Information card for entry 1556092

Structure parameters

• Common name: eispd06
• Formula: C23 H16 Cl N3 O4 Pt
• Calculated formula: C23 H16 Cl N3 O4 Pt
• SMILES: [Pt]12([n]3ccccc3c3cccc([n]13)c1cccc[n]21)C#Cc1ccccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Photoinduced electron transfer in platinum(II) terpyridyl acetylide chromophores: reductive and oxidative quenching and hydrogen production.
• Authors of publication: Du, Pingwu; Schneider, Jacob; Jarosz, Paul; Zhang, Jie; Brennessel, William W.; Eisenberg, Richard
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2007
• Journal volume: 111
• Journal issue: 24
• Pages of publication: 6887 - 6894
• a: 9.0288 ± 0.0007 Å
• b: 17.5533 ± 0.0013 Å
• c: 12.8039 ± 0.001 Å
• α: 90°
• β: 102.095 ± 0.001°
• γ: 90°
• Cell volume: 1984.2 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.02
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections included in the refinement: 0.0386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No