Information card for entry 7201235

Structure parameters

• Formula: C52 H38 Cu N12 O4 S2
• Calculated formula: C52 H38 Cu N12 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: 8.1942 ± 0.0007 Å
• b: 10.001 ± 0.0009 Å
• c: 14.822 ± 0.0013 Å
• α: 75.664 ± 0.003°
• β: 85.553 ± 0.003°
• γ: 85.294 ± 0.003°
• Cell volume: 1170.81 ± 0.18 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: 0.0833
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No