Information card for entry 7053480

Structure parameters

• Formula: C28 H33 Cu N9 O6 S2
• Calculated formula: C28 H33 Cu N9 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: 11.099 ± 0.003 Å
• b: 12.396 ± 0.003 Å
• c: 13.677 ± 0.003 Å
• α: 95.279 ± 0.007°
• β: 98.762 ± 0.007°
• γ: 111.365 ± 0.007°
• Cell volume: 1709.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1459
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2138
• Weighted residual factors for all reflections included in the refinement: 0.2407
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No