Information card for entry 7717056

Structure parameters

• Formula: C76 H92 Cu6 N20 O44 Y4
• Calculated formula: C76 H92 Cu6 N20 O44 Y4
• Title of publication: A new family of heterometallic [Cu₆M₄] (M = Gd, Tb, Dy and Y) clusters derived from the combined use of selected pyridyl poly-alcohol ligands.
• Authors of publication: Anastassiades, Antonis; Alexandropoulos, Dimitris I.; Buch, Christian D.; Piligkos, Stergios; Tasiopoulos, Anastasios J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 39
• Pages of publication: 16202 - 16211
• a: 17.7509 ± 0.0001 Å
• b: 17.7509 ± 0.0001 Å
• c: 16.2759 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5128.45 ± 0.08 ų
• Cell temperature: 150.1 ± 0.2 K
• Ambient diffraction temperature: 150.1 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0217
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No