Information card for entry 7006928

Structure parameters

• Formula: C54 H41 F12 N7 O2 P2 Ru
• Calculated formula: C54 H41 F12 N7 O2 P2 Ru
• SMILES: [Ru]1234([n]5ccccc5c5[n]1c(cc(c5)OCc1cc5ccccc5cc1)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(c1)OCc1ccc2ccccc2c1)c1[n]4cccc1.N#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Ligands and complexes with supramolecular aromatic-aromatic interactions: iron(II) and ruthenium(II) complexes of 2,2':6',2''-terpyridines with pendant naphthalene groups.
• Authors of publication: Chow, Hoi Shan; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 23
• Pages of publication: 2881 - 2890
• a: 12.5716 ± 0.0007 Å
• b: 13.6977 ± 0.0016 Å
• c: 14.845 ± 0.002 Å
• α: 85.459 ± 0.011°
• β: 86.045 ± 0.007°
• γ: 76.722 ± 0.007°
• Cell volume: 2476.8 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections included in the refinement: 0.0298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1327
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No