Information card for entry 4072867

Structure parameters

• Formula: C58 H50 P2 Pt2
• Calculated formula: C58 H50 P2 Pt2
• SMILES: [P]1(c2c(cccc2)C[Pt]231[C](#[C]3[Pt]13([C](#[C]21)c1ccccc1)[P](c1c(cccc1)C3)(c1c(cccc1)C)c1c(cccc1)C)c1ccccc1)(c1c(cccc1)C)c1c(C)cccc1
• 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: 13.7767 ± 0.0004 Å
• b: 7.8071 ± 0.0003 Å
• c: 22.3544 ± 0.0006 Å
• α: 90°
• β: 99.827 ± 0.002°
• γ: 90°
• Cell volume: 2369.07 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0206
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No