Information card for entry 7024508

Structure parameters

• Formula: C22 H33 F6 N4 Ni O P
• Calculated formula: C22 H33 F6 N4 Ni O P
• SMILES: C[N]12[Ni]34(Oc5cccc6ccc[n]3c56)[NH](C(C)(CC(C)=[N]4CCC1)C)CCC2.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Luminescence of five-coordinated nickel(ii) complexes with substituted-8-hydroxyquinolines and macrocyclic ligands.
• Authors of publication: Santana, M. Dolores; García-Bueno, Rocío; García, Gabriel; Pérez, José; García, Luis; Monge, Miguel; Laguna, Antonio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 7
• Pages of publication: 1797 - 1806
• a: 8.4631 ± 0.0016 Å
• b: 15.9967 ± 0.0011 Å
• c: 18.1177 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2452.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P b n 21
• Hall space group symbol: P 2c -2ab
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No