Information card for entry 7012695

Structure parameters

• Formula: C30 H39 Fe N O3 Si
• Calculated formula: C30 H39 Fe N O3 Si
• SMILES: [Fe]1234(CCCCO[Si](N(c2ccccc2)c2ccccc2)(C)C)(C#[O])(C#[O])[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Reactions of M[(η5-C5Me5)Fe(CO)2] with ClSiMe2NR2 in THF, Et2O and toluene (M = Li and K; R = Me, Et, iPr and Ph)
• Authors of publication: Okazaki, Masaaki; Iwata, Masatoshi; Tobita, Hiromi; Ogino, Hiroshi
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 6
• Pages of publication: 1114
• a: 8.4866 ± 0.0008 Å
• b: 9.4172 ± 0.0005 Å
• c: 17.867 ± 0.002 Å
• α: 96.519 ± 0.005°
• β: 97.382 ± 0.003°
• γ: 93.474 ± 0.001°
• Cell volume: 1402.8 ± 0.2 ų
• Cell temperature: 150.2 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 significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.1798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.63
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No