Information card for entry 7030239

Structure parameters

• Formula: C42 H54 Fe
• Calculated formula: C42 H54 Fe
• SMILES: [Fe]12345678([c]9([cH]1[c]2([c]13[c]49cccc1)C1CCCCC1)C1CCCCC1)[c]1([cH]5[c]6([c]27[c]81cccc2)C1CCCCC1)C1CCCCC1
• Title of publication: Complexes of manganese, iron and cobalt with sterically demanding indenyl ligands.
• Authors of publication: Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 34
• Pages of publication: 10317 - 10327
• a: 10.1411 ± 0.0002 Å
• b: 15.4986 ± 0.0002 Å
• c: 21.3658 ± 0.0004 Å
• α: 90°
• β: 101.712 ± 0.002°
• γ: 90°
• Cell volume: 3288.21 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No