Information card for entry 2237904

Structure parameters

• Chemical name: [Diaquasesqui(nitrato-κ<i>O</i>)hemi(perchlorato-κ<i>O</i>)copper(II)]-μ-{bis[5-methyl-3-(pyridin-2-yl)-1<i>H</i>-pyrazol-4-yl] selenide}-[triaqua(perchlorato-κ<i>O</i>)copper(II)] nitrate monohydrate
• Formula: C18 H28 Cl1.5 Cu2 N8.5 O19.5 Se
• Calculated formula: C18 H28 Cl1.5 Cu2 N8.5 O19.5 Se
• Title of publication: [Diaquasesqui(nitrato-κ<i>O</i>)hemi(perchlorato-κ<i>O</i>)copper(II)]-μ-{bis[5-methyl-3-(pyridin-2-yl)-1<i>H</i>-pyrazol-4-yl] selenide}-[triaqua(perchlorato-κ<i>O</i>)copper(II)] nitrate monohydrate
• Authors of publication: Seredyuk, Maksym; Pavlenko, Vadim A.; Znovjyak, Kateryna O.; Gumienna-Kontecka, Elzbieta; Iskenderov, Turganbay S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: m314 - m315
• a: 9.7233 ± 0.0006 Å
• b: 13.1987 ± 0.0007 Å
• c: 13.3217 ± 0.0008 Å
• α: 93.51 ± 0.004°
• β: 108.858 ± 0.005°
• γ: 93.494 ± 0.004°
• Cell volume: 1608.93 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1129
• 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: Yes
• Has Fobs: Yes