Information card for entry 7024509

Structure parameters

• Formula: C22 H31 F6 I2 N4 Ni O P
• Calculated formula: C22 H31 F6 I2 N4 Ni O P
• SMILES: CC1(CC(C)=[N]2[Ni]34(Oc5c(I)cc(I)c6ccc[n]3c56)[N](C)(CCC[NH]14)CCC2)C.[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: 17.8197 ± 0.0014 Å
• b: 8.146 ± 0.0006 Å
• c: 19.6976 ± 0.0015 Å
• α: 90°
• β: 97.51 ± 0.001°
• γ: 90°
• Cell volume: 2834.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No