Information card for entry 7705904

Structure parameters

• Formula: C78 H100 Ca4 N14 O27
• Calculated formula: C78 H100 Ca4 N14 O27
• Title of publication: Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties.
• Authors of publication: Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 16736 - 16744
• a: 15.619 ± 0.011 Å
• b: 15.619 ± 0.011 Å
• c: 18.827 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4593 ± 6 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections: 0.1075
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No