Information card for entry 7053482

Structure parameters

• Formula: C72 H72 Cu N10 O6 S2
• Calculated formula: C72 H72 Cu N10 O6 S2
• Title of publication: Assembling coordination networks of bis-amido pyridines via hydrogen bonds: isostructurality and large hydrophobic cavities for guest inclusion
• Authors of publication: Rajput, Lalit; Biradha, Kumar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2415
• a: 9.8451 ± 0.0013 Å
• b: 14.9205 ± 0.0019 Å
• c: 22.721 ± 0.003 Å
• α: 90°
• β: 97.076 ± 0.004°
• γ: 90°
• Cell volume: 3312.2 ± 0.7 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: 0.0817
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No