Information card for entry 4340191

Structure parameters

• Formula: C22 H22 N3 O1.5 Pt S3.5
• Calculated formula: C22 H22 N3 O1.5 Pt S3.5
• SMILES: [Pt]12(S/C(c3[n]2c(ccc3)C(=N\c2ccccc2)\S1)=N\c1ccccc1)[S](=O)(C)C.S(=O)(C)C
• Title of publication: Thioamide pincer ligands with charge versatility.
• Authors of publication: Begum, Rowshan Ara; Powell, Douglas; Bowman-James, Kristin
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 964 - 966
• a: 8.5037 ± 0.0017 Å
• b: 15.649 ± 0.003 Å
• c: 18.166 ± 0.004 Å
• α: 78.13 ± 0.03°
• β: 80.22 ± 0.03°
• γ: 79.75 ± 0.03°
• Cell volume: 2305.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.134
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No