Information card for entry 7059368

Structure parameters

• Formula: C26 H42 Cl2 Gd2 N6 Ni2 O20
• Calculated formula: C26 H40 Cl2 Gd2 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: 13.8573 ± 0.0008 Å
• b: 23.9482 ± 0.0014 Å
• c: 14.3941 ± 0.0008 Å
• α: 90°
• β: 105.322 ± 0.002°
• γ: 90°
• Cell volume: 4607 ± 0.5 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 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: 0.099
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.2064
• Weighted residual factors for all reflections included in the refinement: 0.2301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No