Information card for entry 8105756

Structure parameters

• Formula: C16 H13 Cl2 Cu N3 O3
• Calculated formula: C16 H13 Cl2 Cu N3 O3
• Title of publication: Crystal structure of dichlorido-([2,2′:6′,2′′-terpyridine]-4′-carboxylic acid-κ3 N,N′,N′′)copper(II) monohydrate, C16H13Cl2CuN3O3
• Authors of publication: Feng, Xuan; Yang, Zhannan; Li, Xin-Hua
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 3
• Pages of publication: 483 - 484
• a: 11.2656 ± 0.0009 Å
• b: 17.1737 ± 0.0014 Å
• c: 8.7774 ± 0.0007 Å
• α: 90°
• β: 98.194 ± 0.001°
• γ: 90°
• Cell volume: 1680.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0306
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No