Information card for entry 7061752

Structure parameters

• Formula: C91 H121 N13 Ni4 O32
• Calculated formula: C91 H121 N13 Ni4 O32
• Title of publication: Tryptophan moiety ligand based tri/tetranuclear Ni(ii) complexes: syntheses, structure and magnetic properties
• Authors of publication: Mahish, Manas Kumar; Carrella, Luca M.; Patra, Apu; Saren, Dama; Zangrando, Ennio; Vojtíšek, Pavel; Rentschler, Eva; Manna, Subal Chandra
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 35
• Pages of publication: 16899 - 16906
• a: 14.8669 ± 0.0006 Å
• b: 22.8072 ± 0.001 Å
• c: 16.0694 ± 0.0006 Å
• α: 90°
• β: 116.675 ± 0.001°
• γ: 90°
• Cell volume: 4868.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No