Information card for entry 4333024

Structure parameters

• Formula: C52 H44 Cl2 Cu2 N4 O2
• Calculated formula: C52 H44 Cl2 Cu2 N4 O2
• SMILES: c1[n](c(ccc1)CNC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)[Cu]1[Cl][Cu]([n]2ccccc2CNC(=O)C(c2ccccc2)(c2ccccc2)c2ccccc2)[Cl]1
• Title of publication: Copper(I) Coordination Chemistry of (Pyridylmethyl)amide Ligands
• Authors of publication: Yang, Lei; Houser, Robert P.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9416 - 9422
• a: 8.9143 ± 0.0016 Å
• b: 9.5821 ± 0.0016 Å
• c: 13.346 ± 0.002 Å
• α: 83.872 ± 0.005°
• β: 80.222 ± 0.005°
• γ: 72.218 ± 0.005°
• Cell volume: 1067.9 ± 0.3 ų
• Cell temperature: 87 ± 2 K
• Ambient diffraction temperature: 87 ± 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: 0.0303
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No