Information card for entry 7221818

Structure parameters

• Chemical name: di(N-4-pyridylnicotinamide)copper(II)acetate
• Formula: C26 H24 Cu N6 O6
• Calculated formula: C26 H24 Cu N6 O6
• SMILES: c1cc(cc[n]1[Cu]12(OC(=[O]1)C)([n]1ccc(cc1)NC(=O)c1cccnc1)OC(=[O]2)C)NC(=O)c1cccnc1
• Title of publication: Selective gelation of N-(4-pyridyl)nicotinamide by copper(ii) salts
• Authors of publication: Ghosh, Dipankar; Lebedytė, Ieva; Yufit, Dmitry S.; Damodaran, Krishna K.; Steed, Jonathan W.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 42
• Pages of publication: 8130
• a: 8.0578 ± 0.0006 Å
• b: 8.3568 ± 0.0006 Å
• c: 10.1944 ± 0.0006 Å
• α: 79.288 ± 0.005°
• β: 69.725 ± 0.006°
• γ: 82.953 ± 0.006°
• Cell volume: 631.44 ± 0.08 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No