Information card for entry 4511855

Structure parameters

• Formula: C126 H101 Cu3 N12 O27
• Calculated formula: C126 H95 Cu3 N12 O27
• Title of publication: Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide
• Authors of publication: Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 4735
• a: 17.018 ± 0.0005 Å
• b: 17.8705 ± 0.0007 Å
• c: 20.812 ± 0.0007 Å
• α: 65.116 ± 0.003°
• β: 83.339 ± 0.003°
• γ: 69.993 ± 0.003°
• Cell volume: 5392.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1032
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No