Information card for entry 7707895

Structure parameters

• Formula: C66 H76 Ho2 N2 Ni2 O22
• Calculated formula: C66 H76 Ho2 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: 11.072 ± 0.009 Å
• b: 11.326 ± 0.01 Å
• c: 13.677 ± 0.011 Å
• α: 101.34 ± 0.03°
• β: 103.396 ± 0.012°
• γ: 90.601 ± 0.011°
• Cell volume: 1633 ± 2 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: 0.026
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No