Information card for entry 7018156

Structure parameters

• Formula: C30 H32 N2 O Pt
• Calculated formula: C30 H32 N2 O Pt
• SMILES: [Pt]12([n]3ccc(cc3c3[n]1ccc(c3)C(C)(C)C)C(C)(C)C)c1c(Oc3c2cccc3)cccc1
• Title of publication: Photophysical properties of 4,4'-di-tert-butyl-2,2'-bipyridine supported 6-membered 2,2'-diphenyl-X platinacycles (X = CH(2), NMe, O).
• Authors of publication: Robinson, Robert; Karikachery, Alice Raphael; Sharp, Paul R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 2601 - 2611
• a: 26.979 ± 0.003 Å
• b: 26.979 ± 0.003 Å
• c: 14.0248 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10208.2 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0173
• Residual factor for significantly intense reflections: 0.0156
• Weighted residual factors for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.0395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No