Information card for entry 4506642

Structure parameters

• Formula: C16 H30 Cl2 N4 O12 Zn
• Calculated formula: C16 H30 Cl2 N4 O12 Zn
• Title of publication: Anion Influence on the Structure ofN,O-Hybrid Pyrazole ZnII, CdII, and HgIIComplexes. Synthesis, Characterization, and Theoretical Studies
• Authors of publication: Guerrero, Miguel; Pons, Josefina; Ros, Josep; Font-Bardia, Mercè; Branchadell, Vicenç
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 3700
• a: 17.111 ± 0.014 Å
• b: 9.427 ± 0.005 Å
• c: 17.606 ± 0.012 Å
• α: 90°
• β: 113.37 ± 0.04°
• γ: 90°
• Cell volume: 2607 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1529
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4506373
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No