Information card for entry 7220299

Structure parameters

• Formula: C13 H18 N2 Pt S7
• Calculated formula: C13 H18 N2 Pt S7
• SMILES: [Pt]12(SC3SC(=S)SC=3S1)[S]=C1N(C(C)C)CCN(C(C)C)C1=[S]2
• Title of publication: Structural changes in MIIdithione/dithiolato complexes (M = Ni, Pd, Pt) on varying the dithione functionalization
• Authors of publication: Espa, Davide; Pilia, Luca; Marchiò, Luciano; Attar, Salahuddin S.; Barsella, Alberto; Fort, Alain; Mercuri, Maria Laura; Serpe, Angela; Deplano, Paola
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 22
• Pages of publication: 4161
• a: 14.578 ± 0.001 Å
• b: 16.218 ± 0.001 Å
• c: 16.257 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3843.6 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0582
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No