Information card for entry 4502941

Structure parameters

• Formula: C40 H42 Cl2 N2 O4 Pt S2
• Calculated formula: C40 H42 Cl2 N2 O4 Pt S2
• SMILES: S(=O)(C)C.[Pt]([n]1ccc(C(c2ccccc2)(O)c2ccccc2)cc1)([n]1ccc(C(c2ccccc2)(O)c2ccccc2)cc1)(Cl)Cl.S(=O)(C)C
• Title of publication: Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules
• Authors of publication: Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 387
• a: 7.672 ± 0.002 Å
• b: 18.482 ± 0.004 Å
• c: 14.479 ± 0.003 Å
• α: 90°
• β: 106.31 ± 0.01°
• γ: 90°
• Cell volume: 1970.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No