Information card for entry 7053483

Structure parameters

• Formula: C50 H38 Cu N12 O8 S2
• Calculated formula: C50 H38 Cu N12 O8 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: 8.1263 ± 0.0013 Å
• b: 10.0055 ± 0.0017 Å
• c: 15.295 ± 0.003 Å
• α: 73.118 ± 0.004°
• β: 87.475 ± 0.004°
• γ: 87.115 ± 0.004°
• Cell volume: 1187.9 ± 0.4 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: 0.0466
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No