Information card for entry 7030244

Structure parameters

• Formula: C34 H52 Fe
• Calculated formula: C34 H52 Fe
• SMILES: [Fe]12345678([c]9([cH]1[c]2([c]13[c]49cccc1)C(C)(C)C)C(C)(C)C)[c]1([c]5([cH]6[c]7([cH]81)C(C)(C)C)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: 12.5774 ± 0.0002 Å
• b: 15.1552 ± 0.0002 Å
• c: 15.4685 ± 0.0002 Å
• α: 90°
• β: 96.108 ± 0.002°
• γ: 90°
• Cell volume: 2931.76 ± 0.07 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No