Information card for entry 4502511

Structure parameters

• Formula: C17 H30 N8 O5
• Calculated formula: C17 H30 N8 O5
• SMILES: C(Cn1cncc1)(Cn1cncc1)(Cn1ccnc1)Cn1ccnc1.O.O.O.O.O
• Title of publication: Effect of Anions on the Self-Assembly of Cd(II)-Containing Coordination Polymers Based on a Novel Flexible Tetrakis(imidazole) Ligand
• Authors of publication: Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Hua-Wu,; Ma, Ji-Cheng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 2
• Pages of publication: 995
• a: 8.9788 ± 0.0004 Å
• b: 26.4168 ± 0.0012 Å
• c: 9.2739 ± 0.0004 Å
• α: 90°
• β: 95.082 ± 0.004°
• γ: 90°
• Cell volume: 2191.04 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0929
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No