Information card for entry 7022274

Structure parameters

• Formula: C15 H20.3 Cl2 N8 O8.15 Zn
• Calculated formula: C15 H20.3 Cl2 N8 O8.15 Zn
• Title of publication: Low symmetry pyrazole-based tripodal tetraamine ligands: metal complexes and ligand decomposition reactions.
• Authors of publication: Cubanski, John R.; Cameron, Scott A.; Crowley, James D.; Blackman, Allan G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 2174 - 2185
• a: 11.248 ± 0.0008 Å
• b: 12.4598 ± 0.0009 Å
• c: 16.8996 ± 0.001 Å
• α: 104.078 ± 0.003°
• β: 92.51 ± 0.003°
• γ: 99.617 ± 0.003°
• Cell volume: 2256.2 ± 0.3 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No