Information card for entry 4075829

Structure parameters

• Formula: C52 H74 Cl6 N2 Pd2 Pt S4
• Calculated formula: C52 H74 Cl6 N2 Pd2 Pt S4
• SMILES: [Pt]12([N](Cc3c1ccc(c3)c1cc3c4[Pd](Cl)([S](C3)C(C)(C)C)[S](Cc4c1)C(C)(C)C)(C)C)[N](Cc1c2ccc(c1)c1cc2c3[Pd](Cl)([S](C2)C(C)(C)C)[S](Cc3c1)C(C)(C)C)(C)C.ClCCl.ClCCl
• Title of publication: Functionalized Homolepticcis- andtrans-C,N-ortho-Chelated Aminoaryl Platinum(II) Complexes
• Authors of publication: Amijs, Catelijne H. M.; van Klink, Gerard P. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 12
• Pages of publication: 2944
• a: 11.0727 ± 0.0001 Å
• b: 17.2827 ± 0.0002 Å
• c: 18.1957 ± 0.0002 Å
• α: 86.1892 ± 0.0007°
• β: 79.81 ± 0.0008°
• γ: 82.8972 ± 0.0004°
• Cell volume: 3397.27 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1104
• 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