Information card for entry 7030246

Structure parameters

• Formula: C19 H29 Fe I O2
• Calculated formula: C19 H29 Fe I O2
• SMILES: [Fe]1234(I)([c]5([c]1([cH]2[c]3([cH]45)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])C#[O]
• 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: 15.3534 ± 0.0003 Å
• b: 10.4548 ± 0.0002 Å
• c: 12.3471 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1981.92 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No