Information card for entry 7224814

Structure parameters

• Formula: C35 H30 N10 Ni2 O5
• Calculated formula: C35 H30 N10 Ni2 O5
• SMILES: [Ni]1234(Oc5c(OC)cccc5C=[N]3c3cccc5c3[n]1ccc5)[O](c1cccc3c1[O]4[Ni]1([OH]C)([N]2=N#N)(N=N#N)[n]2c4c(cccc4ccc2)[N]1=C3)C
• Title of publication: Mono- and di-nuclear nickel(II) complexes derived from NNO donor ligands: Syntheses, crystal structures and magnetic studies of dinuclear analogues
• Authors of publication: Ghorai, Pravat; Chakraborty, Anindita; Panja, Anangamohan; Mondal, Tapan K.; Saha, Amrita
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 18.6631 ± 0.0005 Å
• b: 18.8121 ± 0.0005 Å
• c: 19.0739 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6696.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No