Information card for entry 7024868

Structure parameters

• Formula: C27 H38 Fe N3 O5 P Si2 W
• Calculated formula: C27 H38 Fe N3 O5 P Si2 W
• SMILES: [W]([P]1(N=C(N(C1[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]9[cH]8[cH]7[cH]61)C)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: Novel access to azaphosphiridine complexes and first applications using Brønsted acid-induced ring expansion reactions.
• Authors of publication: Fankel, Stefan; Helten, Holger; von Frantzius, Gerd; Schnakenburg, Gregor; Daniels, Jörg; Chu, Victoria; Müller, Christina; Streubel, Rainer
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 14
• Pages of publication: 3472 - 3481
• a: 10.642 ± 0.001 Å
• b: 13.2433 ± 0.0008 Å
• c: 11.749 ± 0.001 Å
• α: 90°
• β: 91.678 ± 0.003°
• γ: 90°
• Cell volume: 1655.1 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No