Information card for entry 2204929

Structure parameters

• Chemical name: Poly[[tris(di-2-pyridylamine)bis(μ-5-sulfonatosalicylato)tricopper(II)] trihydrate]
• Formula: C44 H39 Cu3 N9 O15 S2
• Calculated formula: C44 H35 Cu3 N9 O15 S2
• Title of publication: Poly[[tris(di-2-pyridylamine)tris(μ-5-sulfonatosalicylato)tricopper(II)] trihydrate]
• 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: 1
• Pages of publication: m174 - m176
• a: 11.3447 ± 0.001 Å
• b: 13.4618 ± 0.0011 Å
• c: 29.91 ± 0.003 Å
• α: 90°
• β: 98.65 ± 0.002°
• γ: 90°
• Cell volume: 4515.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes