Information card for entry 8103101

Structure parameters

• Formula: C26 H18 Cu N4 O6
• Calculated formula: C26 H18 Cu N4 O6
• Title of publication: Crystal structure of (1,10-phenanthroline-?2N:N')-(?2-5-isonicotin- amidoisophthalato-?2O1,O3)copper(II) monohydrate, Cu(C12H8N2)(C14H8N2O5) · H2O
• Authors of publication: Yi-Fang Deng; Man-Sheng Chen; Dai-Zhi Kuang; Zhi-Min Chen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 341
• a: 27.347 ± 0.005 Å
• b: 13.317 ± 0.003 Å
• c: 13.523 ± 0.003 Å
• α: 90 ± 0.001°
• β: 110.869 ± 0.002°
• γ: 90 ± 0.001°
• Cell volume: 4601.7 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.336
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No