Information card for entry 2105723

Structure parameters

• Formula: C13 H8 Br Co N O5
• Calculated formula: C13 H8 Br Co N O5
• 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: 7.1962 ± 0.0008 Å
• b: 10.0563 ± 0.0013 Å
• c: 18.748 ± 0.003 Å
• α: 90°
• β: 91.548 ± 0.012°
• γ: 90°
• Cell volume: 1356.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.252
• Residual factor for significantly intense reflections: 0.1037
• Weighted residual factors for significantly intense reflections: 0.2305
• Weighted residual factors for all reflections included in the refinement: 0.2889
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes