Information card for entry 2239073

Structure parameters

• Chemical name: Tetrakis(μ~3~-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II)
• Formula: C44 H48 Cu4 N8 O24
• Calculated formula: C44 H48 Cu4 N8 O24
• Title of publication: Tetrakis(μ~3~-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II)
• Authors of publication: Chygorin, Eduard N.; Smal, Yuri O.; Kokozay, Vladimir N.; Omelchenko, Irina V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: m54 - m55
• a: 20.5587 ± 0.0014 Å
• b: 20.5587 ± 0.0014 Å
• c: 18.01 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7612.1 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1551
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1844
• Goodness-of-fit parameter for all reflections included in the refinement: 0.801
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes