Information card for entry 7006925

Structure parameters

• Formula: C56 H46 F12 Fe N6 O4 P2
• Calculated formula: C56 H46 F12 Fe N6 O4 P2
• SMILES: [Fe]1234([n]5ccccc5c5[n]1c(cc(OCCOCc1cc6ccccc6cc1)c5)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(OCCOCc2cc3ccccc3cc2)c1)c1[n]4cccc1.[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: 16.897 ± 0.003 Å
• b: 32.914 ± 0.011 Å
• c: 18.693 ± 0.011 Å
• α: 90°
• β: 94.84 ± 0.02°
• γ: 90°
• Cell volume: 10359 ± 7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1629
• Residual factor for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections: 0.1122
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No