Information card for entry 4333023

Structure parameters

• Formula: C32 H40 Cl2 Cu2 N8 O4
• Calculated formula: C32 H40 Cl2 Cu2 N8 O4
• SMILES: c1cccc(CNC(=O)C)[n]1[Cu]12([n]3ccccc3CNC(=O)C)[Cl][Cu]2([n]2ccccc2CNC(=O)C)([n]2ccccc2CNC(=O)C)[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: 13.738 ± 0.006 Å
• b: 9.126 ± 0.004 Å
• c: 15.083 ± 0.006 Å
• α: 90°
• β: 113.643 ± 0.007°
• γ: 90°
• Cell volume: 1732.3 ± 1.3 ų
• Cell temperature: 87 ± 2 K
• Ambient diffraction temperature: 87 ± 2 K
• Number of distinct elements: 6
• 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: 0.0223
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No