Information card for entry 7052212

Structure parameters

• Formula: C36.5 H41 F6 Fe N2 Ni O2 P Ru
• Calculated formula: C33 H37 F6 Fe N2 Ni O2 P Ru
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[c]1([cH]8[cH]7[cH]6[cH]51)C1=CC(=[N]2[Ni]3([N](CC2)=C[c]24[Ru]56789%10%11%12([cH]2[cH]5[CH]6[cH]7[c]48O3)[c]2([c]9([c]%10([c]%11([c]%122C)C)C)C)C)O1)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Trinuclear π-conjugated chromophores formed by a neutral ferrocenyl group and a cationic mixed ruthenium sandwich linked through an unsymmetrical Schiff-base complex spacer
• Authors of publication: Fuentealba, Mauricio; Hamon, Jean-René; Carrillo, David; Manzur, Carolina
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 10
• Pages of publication: 1815
• a: 17.118 ± 0.004 Å
• b: 11.668 ± 0.003 Å
• c: 18.793 ± 0.005 Å
• α: 90°
• β: 99.925 ± 0.006°
• γ: 90°
• Cell volume: 3697.4 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 9
• 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: 0.2755
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1926
• Weighted residual factors for all reflections included in the refinement: 0.2538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.801
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No