Information card for entry 2202433

Structure parameters

• Chemical name: [Na1,2-bis[{3-(2-pyridyl)-pyrazol-1-yl}methyl]benzene][ClO~4~]
• Formula: C24 H20 Cl N6 Na O4
• Calculated formula: C24 H20 Cl N6 Na O4
• SMILES: [Na]123(OCl(=O)(=O)=O)[n]4c(cccc4)c4[n]1[n](cc4)Cc1ccccc1C[n]1[n]2c(cc1)c1[n]3cccc1
• Title of publication: (1,2-Bis{[3-(2-pyridyl)pyrazol-1-yl]methyl}benzene)perchloratosodium
• Authors of publication: Zoe R. Bell; Michael D. Ward
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: m787 - m789
• a: 9.353 ± 0.004 Å
• b: 10.558 ± 0.003 Å
• c: 12.794 ± 0.004 Å
• α: 100.26 ± 0.03°
• β: 107.64 ± 0.03°
• γ: 97.33 ± 0.03°
• Cell volume: 1162.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0696
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes