Information card for entry 4318058

Structure parameters

• Formula: C57 H58 O P4 Pt2 S2
• Calculated formula: C57 H58 O P4 Pt2 S2
• SMILES: [Pt]12(S[Pt]3(S1)[P](c1ccccc1)(c1ccccc1)CCC[P]3(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)CCC[P]2(c1ccccc1)c1ccccc1.O=C(C)C
• Title of publication: Diverse Evolution of [{Ph2P(CH2)nPPh2}Pt(μ-S)2Pt{Ph2P(CH2)nPPh2}] (n= 2, 3) Metalloligands in CH2Cl2
• Authors of publication: Rubén Mas-Ballesté; Mercè Capdevila; Paul A. Champkin; William Clegg; Robert A. Coxall; Agustí Lledós; Claire Mégret; Pilar González-Duarte
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3218 - 3229
• a: 22.025 ± 0.008 Å
• b: 14.753 ± 0.005 Å
• c: 16.502 ± 0.005 Å
• α: 90°
• β: 101.47 ± 0.014°
• γ: 90°
• Cell volume: 5255 ± 3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• 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: 0.0519
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 0.765
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No