Information card for entry 7006855

Structure parameters

• Common name: compound 9b
• Formula: C40 H31 Co2 N O7 P2 Pt S
• Calculated formula: C40 H31 Co2 N O7 P2 Pt S
• SMILES: [Pt]12([Co]3([Co]1(C3=O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[P](N(CCSCc1ccccc1)[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Chelating versus bridging bonding modes of N-substituted bis(diphenylphosphanyl)amine ligands in Pt complexes and Co2Pt clusters.
• Authors of publication: Gallo, Vito; Mastrorilli, Piero; Nobile, Cosimo F.; Braunstein, Pierre; Englert, Ulli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 19
• Pages of publication: 2342 - 2349
• a: 20.0857 ± 0.0019 Å
• b: 19.929 ± 0.002 Å
• c: 19.961 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7990.1 ± 1.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No