Information card for entry 7026810

Structure parameters

• Chemical name: [5-Bis(trimethylsilyl)methyl-2,4-bisferrocenyl-1,3,5- oxazaphosphol-3-ene-kappaP]pentacarbonyltungsten(0)
• Formula: C34 H38 Fe2 N O6 P Si2 W
• Calculated formula: C34 H38 Fe2 N O6 P Si2 W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P]1(C(=NC(O1)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)C([Si](C)(C)C)[Si](C)(C)C
• 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: 18.8898 ± 0.0002 Å
• b: 28.5021 ± 0.0003 Å
• c: 13.8338 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7448.1 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No