Information card for entry 7033804

Structure parameters

• Formula: C20 H25 Cl2 N2 O4.5 Pt
• Calculated formula: C20 H25 Cl2 N2 O4.5 Pt
• SMILES: [Pt]1([n]2c(c3[n]1ccc(c3)C(=O)OC(C)C)cc(cc2)C(=O)OC(C)C)(Cl)Cl.O(CC)CC
• Title of publication: Exploring excited states of Pt(ii) diimine catecholates for photoinduced charge separation.
• Authors of publication: Scattergood, Paul A.; Jesus, Patricia; Adams, Harry; Delor, Milan; Sazanovich, Igor V.; Burrows, Hugh D.; Serpa, Carlos; Weinstein, Julia A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 26
• Pages of publication: 11705 - 11716
• a: 13.6896 ± 0.0008 Å
• b: 14.3617 ± 0.0008 Å
• c: 23.8509 ± 0.0012 Å
• α: 90.066 ± 0.003°
• β: 91.336 ± 0.003°
• γ: 104.659 ± 0.003°
• Cell volume: 4535.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.066
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No