Information card for entry 8106194

Structure parameters

• Formula: C10 H16 Cl Cu N3 O3
• Calculated formula: C10 H16 Cl Cu N3 O3
• SMILES: [Cu]12(Cl)OC(=O)[C@@H]([NH]1Cn1[n]2c(cc1C)C)[C@H](O)C
• Title of publication: Crystal structure of the coordination polymer catena-poly[chlorido-{μ2-2-(((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amino)-3-hydroxybutanoato-κ4 N,N,O:O′}copper(II)], C11H16ClCuN2O3
• Authors of publication: Messali, Mouslim; Ati, Rafika El; Touzani, Rachid; Aouad, Mohamed Reda; Warad, Ismail
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 3
• Pages of publication: 493 - 494
• a: 5.6017 ± 0.0004 Å
• b: 10.7601 ± 0.0008 Å
• c: 10.4036 ± 0.0008 Å
• α: 90°
• β: 95.697 ± 0.002°
• γ: 90°
• Cell volume: 623.98 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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 all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No