Information card for entry 7246602

Structure parameters

• Formula: C68 H100 Br4 N16 Ni4 O12
• Calculated formula: C68 H100 Br4 N16 Ni4 O12
• Title of publication: Magneto-structural studies on a number of doubly end-on cyanate and azide bridged dinuclear nickel(ii) complexes with {N3O} donor Schiff base ligands
• Authors of publication: Jana, Narayan Ch.; Jagodič, Marko; Brandão, Paula; Patra, Moumita; Herchel, Radovan; Jagličić, Zvonko; Panja, Anangamohan
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 11311 - 11323
• a: 22.299 ± 0.004 Å
• b: 19.031 ± 0.003 Å
• c: 9.0106 ± 0.0017 Å
• α: 90°
• β: 93.165 ± 0.007°
• γ: 90°
• Cell volume: 3818 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0602
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No