Information card for entry 7246600

Structure parameters

• Formula: C34 H56 N12 Ni2 O4
• Calculated formula: C34 H56 N12 Ni2 O4
• SMILES: [Ni]1234(Oc5c(OC)cc(cc5C=[N]1CCC[NH]2CCC[N]3(C)C)C)[N]([Ni]123(Oc5c(OC)cc(cc5C=[N]1CCC[NH]2CCC[N]3(C)C)C)[N]4=N#N)=N#N
• 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: 14.9397 ± 0.0009 Å
• b: 16.9091 ± 0.0009 Å
• c: 15.1735 ± 0.0009 Å
• α: 90°
• β: 91.85 ± 0.002°
• γ: 90°
• Cell volume: 3831.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0708
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No