Information card for entry 4074763

Structure parameters

• Formula: C27 H36 N2 O8 Pt
• Calculated formula: C27 H36 N2 O8 Pt
• SMILES: [Pt]12(=C3N(C=CN3C3CCCCC3)C3CCCCC3)([C](#[C]1C(=O)OC)C(=O)OC)[C](#[C]2C(=O)OC)C(=O)OC
• Title of publication: Hydrosilylation of Alkynes Mediated byN-Heterocyclic Carbene Platinum(0) Complexes
• Authors of publication: De Bo, Guillaume; Berthon-Gelloz, Guillaume; Tinant, Bernard; Markó, István E.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 8
• Pages of publication: 1881
• a: 12.603 ± 0.004 Å
• b: 15.801 ± 0.005 Å
• c: 15.393 ± 0.005 Å
• α: 90°
• β: 104.93 ± 0.02°
• γ: 90°
• Cell volume: 2961.9 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No