Information card for entry 4502938

Structure parameters

• Formula: C39 H39 Cl2 N2 O3 Pt
• Calculated formula: C38 H38 Cl2 N2 O4 Pt
• SMILES: [Pt](Cl)(Cl)([n]1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)[n]1ccc(C(O)(c2ccccc2)c2ccccc2)cc1.OC.OC
• 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: 20.256 ± 0.002 Å
• b: 8.335 ± 0.001 Å
• c: 21.056 ± 0.002 Å
• α: 90°
• β: 93.515 ± 0.002°
• γ: 90°
• Cell volume: 3548.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0397
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0449
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No