Information card for entry 4510475

Structure parameters

• Formula: C54 H52 N8 O8 Pt S4
• Calculated formula: C54 H52 N8 O8 Pt S4
• SMILES: c1cc(ccn1)c1cc[n+](cc1)CC[n+]1ccc(c2ccncc2)cc1.N#CC1=C(S[Pt]2(S1)SC(=C(S2)C#N)C#N)C#N.C1OCCOCCOc2ccccc2OCCOCCOCCOc2ccccc2OC1
• Title of publication: Diverse Supramolecular Architectures Having Well-Defined Void Spaces Formed from a Pseudorotaxane Cation: Influential Role of Metal Dithiolate Coordination Complex Anions
• Authors of publication: Madhu, Vedichi; Das, Samar K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 2343
• a: 6.9946 ± 0.0005 Å
• b: 26.3116 ± 0.0019 Å
• c: 14.0147 ± 0.001 Å
• α: 90°
• β: 97.455 ± 0.001°
• γ: 90°
• Cell volume: 2557.5 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No