Information card for entry 7030835

Structure parameters

• Formula: C80 H129 Gd4 N33 Ni4 O45
• Calculated formula: C80 H80 Gd4 N33 Ni4 O45
• Title of publication: Octanuclear [Ni(II)4Ln(III)4] complexes. Synthesis, crystal structures and magnetocaloric properties.
• Authors of publication: Pasatoiu, Traian D.; Ghirri, Alberto; Madalan, Augustin M.; Affronte, Marco; Andruh, Marius
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 24
• Pages of publication: 9136 - 9142
• a: 13.1507 ± 0.0007 Å
• b: 23.5171 ± 0.0014 Å
• c: 18.9619 ± 0.001 Å
• α: 90°
• β: 91.06°
• γ: 90°
• Cell volume: 5863.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1134
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No