Information card for entry 7053478

Structure parameters

• Formula: C40 H50 Cu N8 O4 S2
• Calculated formula: C40 H36 Cu N8 O4 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: 7.4307 ± 0.0003 Å
• b: 10.5364 ± 0.0004 Å
• c: 14.0517 ± 0.0005 Å
• α: 91.139 ± 0.001°
• β: 103.47 ± 0.001°
• γ: 91.626 ± 0.001°
• Cell volume: 1069.06 ± 0.07 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: 0.0499
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 0.827
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No