Information card for entry 4511502

Structure parameters

• Formula: C12 H14 Cd N6 O8
• Calculated formula: C12 H10 Cd N6 O8
• Title of publication: Anion Control of the Self-Assembly of One-Dimensional Molecular Ladders vs Three-Dimensional Cross-like Arrays Based on a Bidentate Schiff Base Ligand
• Authors of publication: Zhang, Guoqi; Yang, Guoqiang; Ma, Jin Shi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 1897
• a: 9.085 ± 0.006 Å
• b: 12.926 ± 0.009 Å
• c: 7.293 ± 0.005 Å
• α: 90°
• β: 90.147 ± 0.011°
• γ: 90°
• Cell volume: 856.4 ± 1 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: 0.0806
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No