Information card for entry 4502121

Structure parameters

• Formula: C21 H18 Cu N4 O7
• Calculated formula: C21 H16 Cu N4 O7
• Title of publication: Is a Crystal Engineering Approach Useful in Designing Metallogels? A Case Study
• Authors of publication: Adarsh, N. N.; Sahoo, Pathik; Dastidar, Parthasarathi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 4976
• a: 13.156 ± 0.004 Å
• b: 7.855 ± 0.002 Å
• c: 19.135 ± 0.005 Å
• α: 90°
• β: 92.521 ± 0.004°
• γ: 90°
• Cell volume: 1975.5 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0608
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No