Information card for entry 8102756

Structure parameters

• Chemical name: (1,10-phenanthroline)-(methanedisulfonato)copper(II) tetrahydrate
• Formula: C13 H17 Cu N2 O10 S2
• Calculated formula: C13 H16 Cu N2 O10 S2
• Title of publication: Crystal structure of diaqua(1,10-phenanthroline)-(methanedisulfonato)copper(II) dihydrate, Cu(H2O)2(C12H8N2)[CH2(SO3)2] · 2H2O
• Authors of publication: Wei-Qiu Kan; Ying-Ying Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 489
• a: 15.8776 ± 0.0007 Å
• b: 7.0127 ± 0.0003 Å
• c: 16.4853 ± 0.0007 Å
• α: 90°
• β: 92.569 ± 0.004°
• γ: 90°
• Cell volume: 1833.71 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0893
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 0.732
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No