Information card for entry 4085436

Structure parameters

• Formula: C31 H53 Al Fe Li N O
• Calculated formula: C31 H53 Al Fe Li N O
• SMILES: [Li]1([O]2CCCC2)[N]2(C(CCCC2(C)C)(C)C)[Al](CC(C)C)(CC(C)C)[C]321[CH]4=[CH]5[CH]6=[CH]3[Fe]14782356[cH]2[cH]8[cH]7[cH]3[cH]12
• Title of publication: Structurally Defined Zincated and Aluminated Complexes of Ferrocene Made by Alkali-Metal Synergistic Syntheses
• Authors of publication: Clegg, William; Crosbie, Elaine; Dale-Black, Sophie H.; Hevia, Eva; Honeyman, Gordon W.; Kennedy, Alan R.; Mulvey, Robert E.; Ramsay, Donna L.; Robertson, Stuart D.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2580
• a: 10.6687 ± 0.0007 Å
• b: 11.16 ± 0.0006 Å
• c: 13.8524 ± 0.0007 Å
• α: 94.846 ± 0.004°
• β: 95.578 ± 0.005°
• γ: 108.439 ± 0.005°
• Cell volume: 1545.58 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.1149
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.797
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No