Information card for entry 4071812

Structure parameters

• Formula: C30 H34 N4 O2 Pt S
• Calculated formula: C30 H34 N4 O2 Pt S
• SMILES: [Pt]1([S](C)C)([N](=C(c2n1nc(c2C)/C(=N/c1ccc(OC)cc1)C)C)c1ccc(OC)cc1)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: 16.9605 ± 0.0013 Å
• b: 7.6043 ± 0.0012 Å
• c: 22.6425 ± 0.0015 Å
• α: 90°
• β: 92.823 ± 0.011°
• γ: 90°
• Cell volume: 2916.7 ± 0.5 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No