Information card for entry 7026811

Structure parameters

• Common name: joerg142 H.Helten ''HHE-DR05'' 100K 13.02.08
• Formula: C26 H34 Fe N3 O5 P Si2 W
• Calculated formula: C26 H34 Fe N3 O5 P Si2 W
• SMILES: [W]([P]1(N=C(N=C1[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)N(C)C)C([Si](C)(C)C)[Si](C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Developing click reactions of a 3-ferrocenyl-2H-azaphosphirene complex.
• Authors of publication: Streubel, Rainer; Pérez, Janaina Marinas; Helten, Holger; Daniels, Jörg; Nieger, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 47
• Pages of publication: 11445 - 11450
• a: 16.0145 ± 0.0005 Å
• b: 12.3033 ± 0.0004 Å
• c: 16.1955 ± 0.0003 Å
• α: 90°
• β: 103.387 ± 0.002°
• γ: 90°
• Cell volume: 3104.31 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0317
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No