Information card for entry 4333025

Structure parameters

• Formula: C22 H32 Cl Cu N4 O2
• Calculated formula: C22 H32 Cl Cu N4 O2
• SMILES: c1cccc(CNC(=O)C(C)(C)C)[n]1[Cu](Cl)[n]1ccccc1CNC(=O)C(C)(C)C
• 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: 11.162 ± 0.003 Å
• b: 7.3381 ± 0.0016 Å
• c: 15.441 ± 0.003 Å
• α: 90°
• β: 107.754 ± 0.005°
• γ: 90°
• Cell volume: 1204.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No