Information card for entry 7010004

Structure parameters

• Formula: C36 H39 Cl2 Cu N7 O3
• Calculated formula: C43 H46 Cl2 Cu N7 O4
• Title of publication: Copper(II/I) complexes of a bulky tris(pyrazolylmethyl)amine ligand
• Authors of publication: Zhixuan (Jack) Chen; Natasha Karasek; Donald C. Craig; Stephen B. Colbran
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2000
• Journal issue: 19
• Pages of publication: 3445 - 3452
• a: 7.314 ± 0.002 Å
• b: 20.573 ± 0.002 Å
• c: 12.094 ± 0.002 Å
• α: 90°
• β: 104.575 ± 0.008°
• γ: 90°
• Cell volume: 1761.2 ± 0.6 ų
• Cell temperature: 294 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.39
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No