Information card for entry 7049014

Structure parameters

• Formula: C21 H36 Er N5 Ni O19
• Calculated formula: C21 H36 Er N5 Ni O19
• Title of publication: Influence of ancillary ligands and solvents on the nuclearity of Ni-Ln complexes.
• Authors of publication: Costes, Jean-Pierre; Mallet-Ladeira, Sonia; Vendier, Laure; Maurice, Rémi; Wernsdorfer, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 10
• Pages of publication: 3404 - 3414
• a: 9.8381 ± 0.0011 Å
• b: 12.6145 ± 0.0016 Å
• c: 12.8061 ± 0.0015 Å
• α: 89.022 ± 0.015°
• β: 86.952 ± 0.014°
• γ: 73.975 ± 0.014°
• Cell volume: 1525.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0379
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No