Information card for entry 2202234

Structure parameters

• Chemical name: Tetraaqua-trans-bis(nicotinato-κN)cadmium(II)
• Formula: C12 H16 Cd N2 O8
• Calculated formula: C12 H16 Cd N2 O8
• SMILES: [n]1(cccc(C(=O)[O-])c1)[Cd]([n]1cccc(C(=O)[O-])c1)([OH2])([OH2])([OH2])[OH2]
• Title of publication: Tetraaqua-<i>trans</i>-bis(nicotinato-κ<i>N</i>)cadmium(II)
• Authors of publication: Youfu Zhou; Wenhua Bi; Xing Li; Jiutong Chen; Rong Cao; Maochun Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: m356 - m358
• a: 14.5727 ± 0.0008 Å
• b: 6.9988 ± 0.0001 Å
• c: 8.5447 ± 0.0005 Å
• α: 90°
• β: 118.012 ± 0.003°
• γ: 90°
• Cell volume: 769.39 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes