Information card for entry 4347531

Structure parameters

• Formula: C14 H18 Ba Cu N2 O14
• Calculated formula: C14 H6 Ba Cu N2 O14
• Title of publication: Heterometallic Metal-Organic Frameworks That Catalyze Two Different Reactions Sequentially.
• Authors of publication: Saha, Debraj; Hazra, Dipak K.; Maity, Tanmoy; Koner, Subratanath
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 5729 - 5731
• a: 7.945 ± 0.005 Å
• b: 10.896 ± 0.005 Å
• c: 21.504 ± 0.005 Å
• α: 90°
• β: 92.786 ± 0.005°
• γ: 90°
• Cell volume: 1859.4 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No