Information card for entry 2205815

Structure parameters

• Chemical name: Aquachloro[5-hydroxyisophthalato(1-)](1,10-phenanthroline)copper(II) 2.5-hydrate
• Formula: C20 H20 Cl Cu N2 O8.5
• Calculated formula: C20 H20 Cl Cu N2 O8.5
• Title of publication: Aquachloro[5-hydroxyisophthalato(1{-})](1,10-phenanthroline)copper(II) 2.5-hydrate
• Authors of publication: Hong-Ping Xiao; Wei-Dong Wang; Wei-Bing Zhang; Jia-Guo Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m841 - m843
• a: 8.8508 ± 0.001 Å
• b: 10.7516 ± 0.0012 Å
• c: 12.7592 ± 0.0015 Å
• α: 114.218 ± 0.002°
• β: 95.77 ± 0.002°
• γ: 94.022 ± 0.002°
• Cell volume: 1093.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0562
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes