Information card for entry 4071813

Structure parameters

• Formula: C32 H38 N4 Pt S
• Calculated formula: C32 H38 N4 Pt S
• SMILES: [Pt]1([S](C)C)([N](=C(c2n1nc(c2C)C(=N\c1c(cccc1C)C)\C)C)c1c(cccc1C)C)c1ccccc1
• Title of publication: Mononuclear Organometallic Platinum(II) Complexes and Platinum(II)−Copper(I) Mixed Complexes from Symmetrical 3,5-Bis(iminoacetyl)pyrazolate Ligands
• Authors of publication: Moret, Marc-Etienne; Chen, Peter
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 4903
• a: 7.8393 ± 0.0014 Å
• b: 13.7453 ± 0.0017 Å
• c: 14.55 ± 0.0017 Å
• α: 94.905 ± 0.012°
• β: 97.696 ± 0.012°
• γ: 97.36 ± 0.013°
• Cell volume: 1532.5 ± 0.4 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No