Information card for entry 7201232

Structure parameters

• Formula: C66 H64 Cu N10 O4 S2
• Calculated formula: C66 H63.992 Cu N10 O4 S2
• Title of publication: Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides
• Authors of publication: Rajput, Lalit; Biradha, Kumar
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1220
• a: 9.9865 ± 0.0014 Å
• b: 14.84 ± 0.002 Å
• c: 20.416 ± 0.003 Å
• α: 90°
• β: 100.363 ± 0.004°
• γ: 90°
• Cell volume: 2976.3 ± 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: 0.0622
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 0.812
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No