Information card for entry 7059370

Structure parameters

• Formula: C26 H42 Cl2 Ho2 N6 Ni2 O20
• Calculated formula: C26 H42 Cl2 Ho2 N6 Ni2 O20
• Title of publication: Coordination control of a semicarbazide Schiff base ligand for spontaneous aggregation of a Ni2Ln2 cubane family: influence of ligand arms and carboxylate bridges on the organization of the magnetic core
• Authors of publication: Biswas, Mousumi; Sañudo, E. Carolina; Cirera, Jordi; Ray, Debashis
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 4812 - 4821
• a: 13.421 Å
• b: 23.686 Å
• c: 14.348 Å
• α: 90°
• β: 100.79°
• γ: 90°
• Cell volume: 4480.44 ų
• Cell temperature: 295.97 K
• Ambient diffraction temperature: 295.97 K
• Number of distinct elements: 7
• 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: 0.0614
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No