Information card for entry 4343118

Structure parameters

• Formula: C12 H13 Ba N O7
• Calculated formula: C12 H13 Ba N O7
• Title of publication: Alkaline Earth Metal Ion/Dihydroxy-Terephthalate MOFs: Structural Diversity and Unusual Luminescent Properties.
• Authors of publication: Douvali, Antigoni; Papaefstathiou, Giannis S.; Gullo, Maria Pia; Barbieri, Andrea; Tsipis, Athanassios C.; Malliakas, Christos D.; Kanatzidis, Mercouri G.; Papadas, Ioannis; Armatas, Gerasimos S.; Hatzidimitriou, Antonios G.; Lazarides, Theodore; Manos, Manolis J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 5813 - 5826
• a: 28.11 ± 0.002 Å
• b: 11.6839 ± 0.0009 Å
• c: 8.6676 ± 0.0006 Å
• α: 90°
• β: 98.795 ± 0.002°
• γ: 90°
• Cell volume: 2813.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No