Information card for entry 4511501

Structure parameters

• Formula: C12 H14 N6 O8 Zn
• Calculated formula: C12 H14 N6 O8 Zn
• 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: 8.8184 ± 0.0018 Å
• b: 12.627 ± 0.003 Å
• c: 7.4326 ± 0.0015 Å
• α: 90°
• β: 90.86 ± 0.03°
• γ: 90°
• Cell volume: 827.5 ± 0.3 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: 0.0887
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No