Information card for entry 4075174

Structure parameters

• Formula: C33 H42 Fe Ge N2 O5
• Calculated formula: C33 H42 Fe Ge N2 O5
• SMILES: [Fe]([Ge]1([N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)O)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Lewis Base Character of Hydroxygermylenes for the Preparation of Heterobimetallic LGe(OH)M Systems (M = Fe, Mn, L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3)
• Authors of publication: Pineda, Leslie W.; Jancik, Vojtech; Colunga-Valladares, Juan F.; Roesky, Herbert W.; Hofmeister, Anja; Magull, Jörg
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 9
• Pages of publication: 2381
• a: 16.004 ± 0.001 Å
• b: 9.874 ± 0.001 Å
• c: 20.379 ± 0.001 Å
• α: 90°
• β: 96.42 ± 0.01°
• γ: 90°
• Cell volume: 3200.2 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• 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: 0.0501
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No