Information card for entry 1571706

Structure parameters

• Chemical name: Chlorido(2-{(2-hydroxyethyl)[tris(hydroxymethyl)methyl]amino}ethanolato-κ^5^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''')copper(II)
• Formula: C8 H18 Cl Cu N O5
• Calculated formula: C8 H18 Cl Cu N O5
• Title of publication: Chlorido(2-{(2-hydroxyethyl)[tris(hydroxymethyl)methyl]amino}ethanolato-κ5 N,O,O′,O′′,O′′′)copper(II)
• Authors of publication: Fortis-Valera, Monserrat; Arroyo-Carmona, Rosa Elena; Pérez-Benítez, Aarón; Bernès, Sylvain
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 5
• a: 7.2605 ± 0.0009 Å
• b: 10.4221 ± 0.0014 Å
• c: 14.668 ± 0.002 Å
• α: 90°
• β: 94.366 ± 0.012°
• γ: 90°
• Cell volume: 1106.7 ± 0.3 ų
• Cell temperature: 109 ± 2 K
• Ambient diffraction temperature: 109 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No