Information card for entry 7033805

Structure parameters

• Formula: C24 H26 N2 O7 Pt
• Calculated formula: C24 H26 N2 O7 Pt
• SMILES: [Pt]12([n]3c(c4[n]2ccc(C(=O)OC(C)C)c4)cc(cc3)C(=O)OC(C)C)Oc2c(O1)cccc2.O
• 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: 6.6241 ± 0.0003 Å
• b: 10.9966 ± 0.0004 Å
• c: 17.2394 ± 0.0007 Å
• α: 100.02 ± 0.001°
• β: 95.633 ± 0.001°
• γ: 101.847 ± 0.001°
• Cell volume: 1198.53 ± 0.09 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: 0.0232
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No