Information card for entry 2204633

Structure parameters

• Chemical name: trans-Diaquabis[4-(4-methylphenyl)-3,5-bis(2-pyridyl)-4H-1,2,4- triazole]nickel(II) diperchlorate tetrahydrate
• Formula: C38 H42 Cl2 N10 Ni O14
• Calculated formula: C38 H38 Cl2 N10 Ni O14
• Title of publication: <i>trans</i>-Diaquabis[4-(4-methylphenyl)-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole]nickel(II) diperchlorate tetrahydrate
• Authors of publication: Shao, Si-Chang; Liu, Zhao-Di; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1815 - m1816
• a: 9.139 ± 0.003 Å
• b: 15.48 ± 0.006 Å
• c: 16.24 ± 0.006 Å
• α: 90°
• β: 95.168 ± 0.007°
• γ: 90°
• Cell volume: 2288.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1585
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes