Information card for entry 7019329

Structure parameters

• Formula: C48 H26 Cd N4 O9 Zn
• Calculated formula: C48 H26 Cd N4 O9 Zn
• Title of publication: A heterobimetallic metal-organic framework with tunable reactive metal sites: synthesis, characterization, and reactivity.
• Authors of publication: Smythe, Nathan C.; Butler, Derek P.; Moore, Curtis E.; McGowan, William R.; Rheingold, Arnold L.; Beauvais, Laurance G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 7855 - 7858
• a: 18.255 ± 0.004 Å
• b: 9.3888 ± 0.0019 Å
• c: 34.534 ± 0.007 Å
• α: 90°
• β: 99.624 ± 0.006°
• γ: 90°
• Cell volume: 5836 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.1249
• Residual factor for significantly intense reflections: 0.1157
• Weighted residual factors for significantly intense reflections: 0.2696
• Weighted residual factors for all reflections included in the refinement: 0.2754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No