Information card for entry 7200281

Structure parameters

• Formula: C16 H18 N4 O2
• Calculated formula: C16 H18 N4 O2
• SMILES: O=C(CCCCC(=O)Nc1cccnc1)Nc1cnccc1
• Title of publication: Ligand isomerism-controlled structural diversity of cadmium(II) perchlorate coordination polymers containing dipyridyladipoamide ligands
• Authors of publication: Hsu, Yi-Fen; Hu, Hui-Ling; Wu, Chia-Jun; Yeh, Chun-Wei; Proserpio, Davide M.; Chen, Jhy-Der
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 168
• a: 9.4559 ± 0.0012 Å
• b: 7.8465 ± 0.001 Å
• c: 10.6879 ± 0.0017 Å
• α: 90°
• β: 108.137 ± 0.011°
• γ: 90°
• Cell volume: 753.6 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No