Information card for entry 2205544

Structure parameters

• Chemical name: bis(μ-ferrocene-1,1'-diyl)bis[chloro(N,N,N',N'- tetramethylethylenediamine)aluminium
• Formula: C32 H48 Al2 Cl2 Fe2 N4
• Calculated formula: C32 H48 Al2 Cl2 Fe2 N4
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Fe]17893456[c]3([cH]9[cH]8[cH]7[cH]13)[Al]([c]13[cH]4[cH]5[cH]6[cH]1[Fe]17893456[c]3([cH]9[cH]8[cH]7[cH]13)[Al]2([N](CCN(C)C)(C)C)Cl)([N](CCN(C)C)(C)C)Cl
• Title of publication: The first aluminium-bridged [1.1]ferrocenophane
• Authors of publication: Schachner, Jörg A.; Lund, Clinton L.; Quail, J. Wilson; Müller, Jens
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m682 - m684
• a: 7.8491 ± 0.0002 Å
• b: 10.2612 ± 0.0003 Å
• c: 11.2111 ± 0.0005 Å
• α: 78.5212 ± 0.0012°
• β: 89.0564 ± 0.0012°
• γ: 73.722 ± 0.002°
• Cell volume: 848.68 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes