Information card for entry 1512824

Structure parameters

• Formula: C36 H44 N6 Ni3 O10 S2
• Calculated formula: C36 H44 N6 Ni3 O10 S2
• SMILES: [Ni]12345[S]6CC[NH]4Cc4c([O]1[Ni]17([O]8[Ni]9%10%11([S](CC[NH]%10Cc%10c8cccc%10)CC[NH]%11Cc8ccccc8[O]19)ON(=[O]7)=O)([O]2c1c(C[NH]5CC6)cccc1)ON(=[O]3)=O)cccc4
• Title of publication: Polynuclear nickel(II) complexes with salicylaldimine derivative ligands
• Authors of publication: Moussa Dieng; Ousmane Diouf; Mohamed Gaye; Abdou Salam Sall; Paulo Perez-Lourido; Laura Valencia; Andrea Caneschi; Lorenzo Sorace
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 394
• Pages of publication: 741 - 746
• a: 11.573 ± 0.004 Å
• b: 18.768 ± 0.006 Å
• c: 10.027 ± 0.003 Å
• α: 90°
• β: 111.141 ± 0.006°
• γ: 90°
• Cell volume: 2031.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0825
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No