Information card for entry 4504297

Structure parameters

• Formula: C19.5 H21 Cu N5 O4.5
• Calculated formula: C19.5 H21 Cu N5 O4.5
• Title of publication: Subtle Structural Changes in Coordination Chains: Influence of the Flexibility of the Precursor Ligands and of the Solvent
• Authors of publication: Wang, Cui-Juan; Ma, Hai-Rui; Wang, Yao-Yu; Liu, Ping; Zhou, Li-Jun; Shi, Qi-Zhen; Peng, Shie-Ming
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 1811
• a: 8.4903 ± 0.0019 Å
• b: 16.417 ± 0.004 Å
• c: 16.134 ± 0.004 Å
• α: 90°
• β: 97.919 ± 0.003°
• γ: 90°
• Cell volume: 2227.4 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.077
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No