Information card for entry 7019323

Structure parameters

• Formula: C57 H53.32 Cd1.08 N6 O12
• Calculated formula: C48 H26.42 Cd1.07 N4 O9
• 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: 18.17 ± 0.003 Å
• b: 9.3856 ± 0.0017 Å
• c: 36.028 ± 0.006 Å
• α: 90°
• β: 109.797 ± 0.01°
• γ: 90°
• Cell volume: 5781 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1609
• Residual factor for significantly intense reflections: 0.1434
• Weighted residual factors for significantly intense reflections: 0.3502
• Weighted residual factors for all reflections included in the refinement: 0.3645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.465
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No