Information card for entry 4316940

Structure parameters

• Formula: C41 H45 Cl3 O2 P2 Pt
• Calculated formula: C41 H45 Cl3 O2 P2 Pt
• SMILES: [Pt]12(Oc3c(O2)c(cc(c3)C(C)(C)C)C(C)(C)C)[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: Structure and Ultrafast Dynamics of the Charge-Transfer Excited State and Redox Activity of the Ground State of Mono- and Binuclear Platinum(II) Diimine Catecholate and Bis-catecholate Complexes: A Transient Absorption, TRIR, DFT, and Electrochemical Study
• Authors of publication: Jonathan Best; Igor V. Sazanovich; Harry Adams; Robert D. Bennett; E. Stephen Davies; Anthony J. H. M. Meijer; Michael Towrie; Sergei A. Tikhomirov; Oleg V. Bouganov; Michael D. Ward; Julia A. Weinstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10041 - 10056
• a: 12.948 ± 0.005 Å
• b: 28.783 ± 0.005 Å
• c: 24.459 ± 0.005 Å
• α: 90 ± 0°
• β: 95.743 ± 0.005°
• γ: 90 ± 0°
• Cell volume: 9070 ± 4 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: 0.0628
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No