Information card for entry 4078357

Structure parameters

• Formula: C24 H32 Fe N2 O6
• Calculated formula: C24 H32 Fe N2 O6
• SMILES: N(C(=O)[c]12[cH]3[cH]4[Fe]5678913([cH]2[cH]45)[c]1([cH]6[cH]7[cH]9[cH]81)C(=O)N[C@@H](C(C)C)C(=O)OC)[C@@H](C(C)C)C(=O)OC
• Title of publication: The Isocyanate Route to Cyclopentadienyl-Carboxamide- and Cyclopentadienyl-Amino Ester-Substituted Metallocene Complexes
• Authors of publication: Oberhoff, Markus; Duda, Lothar; Karl, Jörn; Mohr, Roland; Erker, Gerhard; Fröhlich, Roland; Grehl, Matthias
• Journal of publication: Organometallics
• Year of publication: 1996
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 4005
• a: 11.374 ± 0.005 Å
• b: 11.374 ± 0.005 Å
• c: 18.75 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2425.6 ± 1.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections: 0.1154
• Weighted residual factors for significantly intense reflections: 0.0993
• Goodness-of-fit parameter for all reflections: 1.115
• Goodness-of-fit parameter for significantly intense reflections: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No