Information card for entry 7027552

Structure parameters

• Formula: C116 H124 Cd2 Cl4 O6 P8 Pt4 S4
• Calculated formula: C116 H120 Cd2 Cl4 O6 P8 Pt4 S4
• SMILES: [Pt]12([S]3[Pt]4([S]1[Cd]13[S]3[Pt]5([S]1[Pt]31[P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)CC[P]5(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)CC[P]4(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1.[Cd](Cl)(Cl)(Cl)Cl.O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C.O.O
• Title of publication: Extending knowledge on the nucleophilicity of the {Pt2S2} core: Ph2PCH2CH2PPh2 as an alternative terminal ligand in [L2Pt(μ-S)2PtL2] metalloligands †
• Authors of publication: Capdevila, Mercè; Carrasco, Yolanda; Clegg, William; Coxall, Robert A.; González-Duarte, Pilar; Lledós, Agustí; Antonio Ramírez, José; Ramírez, Antonio
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 17
• Pages of publication: 3103
• a: 16.7851 ± 0.0008 Å
• b: 16.9057 ± 0.0008 Å
• c: 22.1911 ± 0.001 Å
• α: 73.093 ± 0.002°
• β: 86.3 ± 0.002°
• γ: 75.436 ± 0.002°
• Cell volume: 5831 ± 0.5 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No