Information card for entry 7015707

Structure parameters

• Formula: C26 H34 Cu N8 O4
• Calculated formula: C26 H34 Cu N8 O4
• SMILES: C1(=O)C2(C)n3c(cc([n]3[Cu]34(O1)(OC(=O)C(C)(n1c(cc(C)[n]31)C)n1c(cc(C)[n]41)C)[n]1c(C)cc(C)n21)C)C
• Title of publication: Transition metal complexes bearing a 2,2-bis(3,5-dimethylpyrazol-1-yl)propionate ligand: one methyl more matters.
• Authors of publication: Türkoglu, Gazi; Heinemann, Frank W.; Burzlaff, Nicolai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 17
• Pages of publication: 4678 - 4686
• a: 8.8389 ± 0.001 Å
• b: 9.665 ± 0.002 Å
• c: 15.97 ± 0.002 Å
• α: 90°
• β: 94.446 ± 0.01°
• γ: 90°
• Cell volume: 1360.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1005
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No