Information card for entry 7201234

Structure parameters

• Formula: C66 H60 Cu N10 O4 S2
• Calculated formula: C66 H60 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: 10.1605 ± 0.001 Å
• b: 15.0606 ± 0.0015 Å
• c: 20.01 ± 0.002 Å
• α: 90°
• β: 100.338 ± 0.003°
• γ: 90°
• Cell volume: 3012.3 ± 0.5 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: 0.1498
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No