Information card for entry 7060408

Structure parameters

• Formula: C30 H39 Gd2 N9 Ni O18
• Calculated formula: C30 H39 Gd2 N9 Ni O18
• Title of publication: Enhancement of the coordinating flexibility in a Schiff‒Mannich combo ligand: forced generation of a new NiII‒Ophenoxo‒LnIII‒Oalkoxo‒LnIII array (Ln = Gd, Tb, Dy and Ho)
• Authors of publication: Bag, Riya; Sikdar, Yeasin; Saha, Pinaki; Ghosh, Prasanta; Drew, Michael G. B.; Tang, Jinkui; Goswami, Sanchita
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 5258 - 5265
• a: 12.8995 ± 0.0007 Å
• b: 18.7091 ± 0.001 Å
• c: 18.0277 ± 0.001 Å
• α: 90°
• β: 109.147 ± 0.002°
• γ: 90°
• Cell volume: 4110.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No