Information card for entry 2243852

Structure parameters

• Formula: C63 H80 Cu6 N8 O21
• Calculated formula: C63 H80 Cu6 N8 O21
• Title of publication: Hexanuclear copper(II) complex of 2-hydroxy-<i>N</i>,<i>N</i>'-bis[1-(2-hydroxyphenyl)ethylidene]propane-1,3-diamine incorporating an open-cubane core
• Authors of publication: Kébé, Momath; Thiam, Ibrahima Elhadji; Sow, Mouhamadou Moustapha; Diouf, Ousmane; Barry, Aliou Hamady; Sall, Abdou Salam; Retailleau, Pascal; Gaye, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 7
• Pages of publication: 708 - 713
• a: 13.6406 ± 0.0005 Å
• b: 14.0568 ± 0.0005 Å
• c: 18.5907 ± 0.0007 Å
• α: 83.626 ± 0.003°
• β: 86.186 ± 0.003°
• γ: 72.288 ± 0.003°
• Cell volume: 3372.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes