Information card for entry 2200509

Structure parameters

• Common name: C26 H32 Cd0.50 N5 O5
• Chemical name: trans-Diaquatetrakis(4,4'-methylenediphenylamine-N)cadmium(II) dinitrate dihydrate
• Formula: C52 H64 Cd N10 O10
• Calculated formula: C52 H64 Cd N10 O10
• SMILES: [Cd]([NH2]c1ccc(Cc2ccc(N)cc2)cc1)([NH2]c1ccc(Cc2ccc(N)cc2)cc1)([NH2]c1ccc(Cc2ccc(N)cc2)cc1)([NH2]c1ccc(Cc2ccc(N)cc2)cc1)([OH2])[OH2].N(=O)(=O)[O-].O.N(=O)(=O)[O-].O
• Title of publication: <i>trans</i>-Diaquatetrakis(4,4'-methylenediphenylamine-<i>N</i>)cadmium(II) dinitrate dihydrate
• Authors of publication: Wang, Ruihu; Hong, Maochun; Weng, Jiabao; Cao, Rong; Liang, Yucang; Zhao, Yingjun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: m344 - m345
• a: 9.3189 ± 0.0002 Å
• b: 11.6565 ± 0.0003 Å
• c: 12.059 ± 0.0001 Å
• α: 80.845 ± 0.001°
• β: 86.638 ± 0.001°
• γ: 89.051 ± 0.001°
• Cell volume: 1290.97 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes