Information card for entry 4501113

Structure parameters

• Formula: C14 H26 Co N2 O12
• Calculated formula: C14 H26 Co N2 O12
• Title of publication: Influence of Metal Ion on Structural Motif in Coordination Polymers of the Pseudopeptidic Ligand Terephthaloyl-bis-beta-alaninate
• Authors of publication: Morrison, Christine N.; Powell, Annie K.; Kostakis, George E.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 3653
• a: 11.082 ± 0.0013 Å
• b: 5.1509 ± 0.0004 Å
• c: 17.908 ± 0.002 Å
• α: 90°
• β: 109.81 ± 0.009°
• γ: 90°
• Cell volume: 961.74 ± 0.18 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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: 0.0243
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No