Information card for entry 7024507

Structure parameters

• Formula: C22 H30 F6 N5 Ni O P
• Calculated formula: C22 H30 F6 N5 Ni O P
• SMILES: [Ni]123(Oc4cccc5ccc([n]3c45)C#N)[NH]3C(CC(=[N]1CCC[NH]2CCC3)C)(C)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: 15.8753 ± 0.0008 Å
• b: 9.8776 ± 0.0005 Å
• c: 15.9209 ± 0.0008 Å
• α: 90°
• β: 99.764 ± 0.001°
• γ: 90°
• Cell volume: 2460.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No