Information card for entry 7707892

Structure parameters

• Formula: C66 H76 Gd2 N2 Ni2 O22
• Calculated formula: C66 H76 Gd2 N2 Ni2 O22
• Title of publication: Synthesis, characterization, magnetism and theoretical analysis of hetero-metallic [Ni₂Ln₂] partial di-cubane assemblies.
• Authors of publication: Bhanja, Avik; Herchel, Radovan; Moreno-Pineda, Eufemio; Khara, Anjan; Wernsdorfer, Wolfgang; Ray, Debashis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 36
• Pages of publication: 12517 - 12527
• a: 11.366 ± 0.012 Å
• b: 11.446 ± 0.013 Å
• c: 13.959 ± 0.015 Å
• α: 78.54 ± 0.03°
• β: 76.46 ± 0.04°
• γ: 89.78 ± 0.03°
• Cell volume: 1729 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1188
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No