Information card for entry 8102760

Structure parameters

• Chemical name: diaqua(1,10-phenanthroline) cadmium (II)methanedisulfonate
• Formula: C13 H14 Cd N2 O8 S2
• Calculated formula: C13 H14 Cd N2 O8 S2
• SMILES: [Cd]12(OS(=O)(=O)CS(=O)(=O)O1)([OH2])([OH2])[n]1cccc3ccc4c([n]2ccc4)c13
• Title of publication: Crystal structure of diaqua(1,10-phenanthroline)cadmium(II) methanedisulfonate, Cd(H2O)2(C12H8N2)[CH2(SO3)2]
• Authors of publication: Dao-Cheng Xia; 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: 527
• a: 7.8909 ± 0.0005 Å
• b: 9.6712 ± 0.0007 Å
• c: 12.2389 ± 0.0007 Å
• α: 83.706 ± 0.006°
• β: 72.775 ± 0.005°
• γ: 86.733 ± 0.006°
• Cell volume: 886.44 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No