Information card for entry 7022276

Structure parameters

• Formula: C14 H22 Cl2 N7 O9.8 Zn
• Calculated formula: C14 H22 Cl2 N7 O9.8 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: 8.6197 ± 0.0005 Å
• b: 8.9389 ± 0.0005 Å
• c: 16.1896 ± 0.0009 Å
• α: 85.883 ± 0.003°
• β: 80.308 ± 0.003°
• γ: 66.163 ± 0.003°
• Cell volume: 1124.72 ± 0.11 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: 0.0804
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No