Information card for entry 4304330

Structure parameters

• Common name: Pt(4,4'-di-tBu-2,2'-bipyridine)(cat-nap)
• Chemical name: Pt(4,4'-di-tert-butyl-2,2'-bipyridine)(1,2-catecholate-4-naphthalimide)
• Formula: C38 H38 N4 O4.5 Pt
• Calculated formula: C38 H36 N4 O4.5 Pt
• SMILES: [Pt]12([n]3ccc(cc3c3cc(cc[n]13)C(C)(C)C)C(C)(C)C)Oc1c(O2)cc(N2C(=O)c3c4c(C2=O)cccc4ccc3)cc1.CC#N.O
• Title of publication: Platinum(II) Diimine Complexes with Catecholate Ligands Bearing Imide Electron-Acceptor Groups: Synthesis, Crystal Structures, (Spectro)Electrochemical and EPR studies, and Electronic Structure
• Authors of publication: Nail M. Shavaleev; E. Stephen Davies; Harry Adams; Jonathan Best; Julia A. Weinstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1532 - 1547
• a: 25.9691 ± 0.0012 Å
• b: 17.3615 ± 0.0008 Å
• c: 15.6346 ± 0.0007 Å
• α: 90°
• β: 110.836 ± 0.002°
• γ: 90°
• Cell volume: 6588.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No