Information card for entry 2243023

Structure parameters

• Chemical name: Pentaaquacarbonatopentakis(glycine hydroxamato)nitratopentacopper(II)holmium(III) 3.445-hydrate
• Formula: C11 H36.89 Cu5 Ho N11 O24.45
• Calculated formula: C11 H36.89 Cu5 Ho N11 O24.445
• Title of publication: The crystal structures of {<i>Ln</i>Cu~5~}^3+^ (<i>Ln</i> = Gd, Dy and Ho) 15-metallacrown-5 complexes and a reevaluation of the isotypic Eu^III^ analogue
• Authors of publication: Pavlishchuk, Anna; Naumova, Dina; Zeller, Matthias; Calderon Cazorla, Sebastian; Addison, Anthony W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 8
• Pages of publication: 1215 - 1223
• a: 11.2027 ± 0.0009 Å
• b: 11.4955 ± 0.0009 Å
• c: 13.2467 ± 0.001 Å
• α: 94.001 ± 0.003°
• β: 94.784 ± 0.003°
• γ: 107.518 ± 0.003°
• Cell volume: 1613 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes