Information card for entry 2216177

Structure parameters

• Chemical name: Bis(μ-2-{[3-(dimethylamino)propyl]iminomethyl}phenolato- κ^4^N,N',O:O)bis[(acetato-κ^2^O,O')cadmium(II)] monohydrate
• Formula: C28 H42 Cd2 N4 O7
• Calculated formula: C28 H42 Cd2 N4 O7
• SMILES: c12c(cccc1)[O]1[Cd]34([N](=C2)CCC[N]3(C)C)([O]=C(O4)C)[O]2c3c(cccc3)C=[N]3CCC[N](C)(C)[Cd]4123[O]=C(O4)C.O
• Title of publication: Bis(μ-2-{[3-(dimethylamino)propyl]iminomethyl}phenolato-κ^4^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>)bis[(acetato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)] monohydrate
• Authors of publication: Wen-Xuan Cai; Xiao-Yong Zheng; Hong Su; Yun-Long Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2828 - m2829
• a: 17.543 ± 0.003 Å
• b: 17.543 ± 0.003 Å
• c: 10.42 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3206.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 117
• Hermann-Mauguin space group symbol: P -4 b 2
• Hall space group symbol: P -4 -2ab
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes