Information card for entry 8102755

Structure parameters

• Chemical name: aqua(1,10-phenanthroline-k2N, N')-(4- acetylaminobenzoato-kO)-chloride copper(II) dihydrate, Cu(H2O)(C12H8N2)( C9H8O3N)Cl?2H2O
• Formula: C21 H21 Cl Cu N3 O5.5
• Calculated formula: C21 H21 Cl Cu N3 O5.5
• Title of publication: Crystal structure of aquachloro(1,10-phenanthroline-k2N,N')-(4-acetylaminobenzoato-kO)copper(II) sesquihydrate, Cu(H2O)(C12H8N2)(C9H8O3N)Cl · 1.5H2O, at 113 K
• Authors of publication: Yun-Fei Kuang; Chang-Hong Li; Wei Li; Ying-Qun Yang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 431
• a: 8.605 ± 0.004 Å
• b: 8.865 ± 0.004 Å
• c: 15.136 ± 0.006 Å
• α: 99.107 ± 0.003°
• β: 102.494 ± 0.006°
• γ: 106.571 ± 0.007°
• Cell volume: 1050.2 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0338
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No