Information card for entry 2207539

Structure parameters

• Chemical name: Poly[[diaquabis(1,10-phenanthroline)bis(μ~3~-5- sulfonatosalicylato)tricopper(II)] tetrahydrate]
• Formula: C38 H34 Cu3 N4 O18 S2
• Calculated formula: C38 H26 Cu3 N4 O18 S2
• Title of publication: Poly[[diaquabis(1,10-phenanthroline)bis(μ~3~-5-sulfonatosalicylato)tricopper(II)] tetrahydrate]
• Authors of publication: Fan, Sai-Rong; Zhu, Long-Guan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2556 - m2558
• a: 8.7183 ± 0.0009 Å
• b: 14.0994 ± 0.0016 Å
• c: 16.9212 ± 0.0018 Å
• α: 90°
• β: 100.9 ± 0.002°
• γ: 90°
• Cell volume: 2042.5 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.081
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No