Information card for entry 4073886

Structure parameters

• Formula: C40 H56 N2 O4 Pt
• Calculated formula: C40 H56 N2 O4 Pt
• SMILES: [Pt]123(=C4N(c5c(cccc5C(C)C)C(C)C)C=CN4c4c(cccc4C(C)C)C(C)C)[CH2]=[CH]1CC(C[CH]2=[CH2]3)(C(=O)OCC)C(=O)OCC
• Title of publication: Expedient, Direct Synthesis of (L)Pt(0)(1,6-diene) Complexes from H2PtCl6
• Authors of publication: Berthon-Gelloz, Guillaume; Schumers, Jean-Marc; Lucaccioni, Fabio; Tinant, Bernard; Wouters, Johan; Markó, István E.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 23
• Pages of publication: 5731
• a: 11.49 ± 0.001 Å
• b: 17.566 ± 0.001 Å
• c: 19.304 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3896.2 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No