Information card for entry 7053474

Structure parameters

• Formula: C20 H26 Cu N6 O6 S2
• Calculated formula: C20 H22 Cu N6 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: 7.808 ± 0.003 Å
• b: 8.946 ± 0.003 Å
• c: 10.837 ± 0.006 Å
• α: 102.017 ± 0.014°
• β: 104.357 ± 0.015°
• γ: 111.247 ± 0.01°
• Cell volume: 645.2 ± 0.5 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: 0.055
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No