Information card for entry 2229447

Structure parameters

• Chemical name: [2,9-Bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)-1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>'](methanol-κ<i>O</i>)(nitrito- κ^2^<i>O</i>,<i>O</i>')cadmium(II) perchlorate
• Formula: C23 H24 Cd Cl N7 O7
• Calculated formula: C23 H24 Cd Cl N7 O7
• SMILES: Cc1cc(C)n2c3ccc4c5c6c(cc4)ccc4[n]6[Cd]6([n]12)([n]35)([n]1c(cc(C)n41)C)([O]=NO6)[OH]C.Cl(=O)(=O)(=O)[O-]
• Title of publication: [2,9-Bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>'](methanol-κ<i>O</i>)(nitrito-κ^2^<i>O</i>,<i>O</i>')cadmium(II) perchlorate
• Authors of publication: Liu, Li Zhen; Chi, Yan Hui; Du, Hua; Shi, Jing Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m330
• a: 8.0241 ± 0.0017 Å
• b: 11.58 ± 0.002 Å
• c: 15.842 ± 0.003 Å
• α: 68.595 ± 0.002°
• β: 75.578 ± 0.002°
• γ: 73.616 ± 0.003°
• Cell volume: 1297.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes