Information card for entry 2207800

Structure parameters

• Chemical name: Bis(μ-5-sulfonatosalicylato)bis[bis(1,10-phenanthroline)cadmium(II)] monohydrate
• Formula: C62 H42 Cd2 N8 O13 S2
• Calculated formula: C62 H42 Cd2 N8 O13 S2
• Title of publication: Bis(μ-5-sulfonatosalicylato)bis[bis(1,10-phenanthroline)cadmium(II)] monohydrate
• Authors of publication: Fan, Sai-Rong; Xiao, Hong-Ping; Zhu, Long-Guan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m18 - m20
• a: 15.1984 ± 0.0007 Å
• b: 9.834 ± 0.0004 Å
• c: 18.9902 ± 0.0008 Å
• α: 90°
• β: 100.778 ± 0.001°
• γ: 90°
• Cell volume: 2788.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes