Information card for entry 7010433

Structure parameters

• Formula: C31 H26 Cl2 N6 Ni O11
• Calculated formula: C31 H26 Cl2 N6 Ni O11
• SMILES: [Ni]1234([n]5ccccc5c5[n]1c(ccc5)c1n(=[O]3)cccc1)[n]1ccccc1c1[n]2c(ccc1)c1n(=[O]4)cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC
• Title of publication: Geometrical preferences of complexes of terpyridine N-oxide ligands: synthesis and crystal structures of nickel(II) with terpyridine 1,1',1″-trioxide, terpyridine 1,1″-dioxide and terpyridine 1-oxide
• Authors of publication: Amoroso, Angelo J.; Burrows, Miles W.; Dickinson, Anthony A.; Jones, Cameron; Willock, David J.; Wong, Wing-Tak
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 3
• Pages of publication: 225
• a: 7.074 ± 0.002 Å
• b: 12.042 ± 0.003 Å
• c: 38.653 ± 0.003 Å
• α: 90°
• β: 90.62 ± 0.02°
• γ: 90°
• Cell volume: 3292.5 ± 1.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2144
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No