Information card for entry 7052213

Structure parameters

• Formula: C23 H22 Fe N2 Ni O2
• Calculated formula: C23 H22 Fe N2 Ni O2
• 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)=Cc2ccccc2O3)O1)C
• 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: 11.0723 ± 0.001 Å
• b: 9.9509 ± 0.0009 Å
• c: 18.5611 ± 0.0017 Å
• α: 90°
• β: 106.637 ± 0.001°
• γ: 90°
• Cell volume: 1959.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0573
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No