Information card for entry 7020468

Structure parameters

• Formula: C125 H109 B2 Cl2 N3 O P4 Pt2 S2
• Calculated formula: C125 H107 B2 Cl2 N3 O P4 Pt2 S2
• SMILES: [Pt]1([S]2[Pt]([S]1CC(=NNC(=O)N)C2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: A novel structural rearrangement reaction of dialkylated derivatives of [Pt(2)(μ-S)(2)(PPh(3))(4)] involving Pt-C bond formation.
• Authors of publication: Ujam, Oguejiofo T.; Devoy, Sarah M.; Henderson, William; Nicholson, Brian K.; Hor, T. S. Andy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 41
• Pages of publication: 12773 - 12780
• a: 17.8478 ± 0.0005 Å
• b: 18.5906 ± 0.0005 Å
• c: 18.8511 ± 0.0005 Å
• α: 83.448 ± 0.002°
• β: 70.165 ± 0.002°
• γ: 71.444 ± 0.002°
• Cell volume: 5577.7 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No