Information card for entry 7062593

Structure parameters

• Formula: C78 H123 Ho4 N3 Ni3 O42
• Calculated formula: C78 H99 Ho4 N3 Ni3 O31
• Title of publication: Self-assembly of Schiff base anions and the trapping of HO−, O2− and Piv− bridges in a family of Ni3Ln4 complexes: synthesis, structures and magnetic properties
• Authors of publication: Biswas, Mousumi; Mavromagoulos, Athanasios; Murrie, Mark; Ray, Debashis
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 31
• Pages of publication: 14868 - 14875
• a: 20.033 ± 0.004 Å
• b: 20.033 ± 0.004 Å
• c: 15.367 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5340.9 ± 1.8 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No