Information card for entry 2105724

Structure parameters

• Formula: C14 H11 Co N O6
• Calculated formula: C14 H11 Co N O6
• 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: 7.1507 ± 0.0002 Å
• b: 18.1353 ± 0.0004 Å
• c: 11.6447 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1510.09 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.055
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No