Information card for entry 7030240

Structure parameters

• Formula: C34 H46 Fe
• Calculated formula: C34 H46 Fe
• SMILES: [Fe]12345678([c]9([cH]1[c]2([c]13cccc[c]491)C(C)(C)C)C(C)(C)C)[c]1([cH]5[c]6([c]27cccc[c]812)C(C)(C)C)C(C)(C)C
• 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: 18.352 ± 0.0004 Å
• b: 9.6436 ± 0.0002 Å
• c: 17.7391 ± 0.0004 Å
• α: 90°
• β: 116.946 ± 0.004°
• γ: 90°
• Cell volume: 2798.62 ± 0.14 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: 0.0394
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No