Information card for entry 4072868

Structure parameters

• Formula: C33 H32 O2 P Pt
• Calculated formula: C33 H32 O2 P Pt
• SMILES: [Pt]1([P](c2c(cccc2)C1)(c1c(cccc1)C)c1c(cccc1)C)(C#Cc1ccccc1)C#[O].O=C(C)C
• Title of publication: New Mono- and Polynuclear Alkynyl Complexes Containing Phenylacetylide as Terminal or Bridging Ligand. X-ray Structures of the Compounds NBu4[Pt(CH2C6H4P(o-tolyl)2-κC,P)(C⋮CPh)2], [Pt(CH2C6H4P(o-tolyl)2-κC,P)(C⋮CPh)(CO)], [{Pt(CH2C6H4P(o-tolyl)2-κC,P)(μ-C⋮CPh)}2], and [{Pt(CH2C6H4P(o-tolyl)2-κC,P)(C⋮CPh)2Cu}2]
• Authors of publication: Casas, José M.; Forniés, Juan; Fuertes, Sara; Martín, Antonio; Sicilia, Violeta
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1674
• a: 23.401 ± 0.004 Å
• b: 14.738 ± 0.002 Å
• c: 16.089 ± 0.002 Å
• α: 90°
• β: 101.186 ± 0.003°
• γ: 90°
• Cell volume: 5443.4 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0305
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No