Information card for entry 2240670

Structure parameters

• Chemical name: Tetrakis(μ~3~-2-{[1,1-bis(hydroxymethyl)-2-oxoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate
• Formula: C46 H63 Cu4 N4 O19.5
• Calculated formula: C46 H62 Cu4 N4 O19.5
• Title of publication: Crystal structure of tetrakis(μ~3~-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate
• Authors of publication: Wang, Weilun; Ran, Jingwen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: m116 - m117
• a: 24.651 ± 0.008 Å
• b: 16.395 ± 0.005 Å
• c: 18.423 ± 0.006 Å
• α: 90°
• β: 129.584 ± 0.003°
• γ: 90°
• Cell volume: 5738 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1035
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes