Information card for entry 4501395

Structure parameters

• Formula: C18 H24 Cd N4 O7
• Calculated formula: C18 H24 Cd N4 O7
• SMILES: [Cd]12([O]=C(O1)C)([O]=C(O2)C)([n]1ccc(NC(=O)C)cc1)([n]1ccc(NC(=O)C)cc1)[OH2]
• Title of publication: Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes
• Authors of publication: Mukherjee, Gargi; Biradha, Kumar
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5649
• a: 13.1142 ± 0.0014 Å
• b: 20.024 ± 0.002 Å
• c: 8.4874 ± 0.0009 Å
• α: 90°
• β: 97.524 ± 0.003°
• γ: 90°
• Cell volume: 2209.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0425
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No