Information card for entry 7705911

Structure parameters

• Formula: C69 H73 Ba5 Cl3 N15 O29
• Calculated formula: C69 H73 Ba5 Cl3 N15 O29
• 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: 16.604 ± 0.003 Å
• b: 16.604 ± 0.003 Å
• c: 18.804 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5184.1 ± 1.7 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9472
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No