Information card for entry 2220050

Structure parameters

• Chemical name: Tetrakis(3,5-dimethyl-1H-pyrazole-κN^2^)(nitrato-κ^2^O,O')cadmium(II) nitrate
• Formula: C20 H32 Cd N10 O6
• Calculated formula: C20 H32 Cd N10 O6
• SMILES: [Cd]1([O]=N(=O)O1)([n]1[nH]c(C)cc1C)([n]1[nH]c(C)cc1C)([n]1[nH]c(C)cc1C)[n]1[nH]c(cc1C)C.N(=O)(=O)[O-]
• Title of publication: Tetrakis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)(nitrato-κ^2^<i>O</i>,<i>O</i>')cadmium(II) nitrate
• Authors of publication: Wang, Su-Qing; Jian, Fang-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1532
• a: 9.179 ± 0.0018 Å
• b: 11.353 ± 0.002 Å
• c: 13.669 ± 0.003 Å
• α: 94.79 ± 0.03°
• β: 105.61 ± 0.03°
• γ: 90.68 ± 0.03°
• Cell volume: 1366.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0493
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes