Information card for entry 2105725

Structure parameters

• Formula: C17 H11.5 Co N O5.25
• Calculated formula: C17 H11 Co N O5.25
• Title of publication: Distortions of a flexible metal-organic framework from substituted pendant ligands
• Authors of publication: Munn, Alexis S.; Clarkson, Guy J.; Walton, Richard I.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: 11 - 18
• a: 18.025 ± 0.016 Å
• b: 7.184 ± 0.006 Å
• c: 11.906 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1542 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No