Information card for entry 7024865

Structure parameters

• Formula: C24 H32 Fe N O5 P Si2 W
• Calculated formula: C24 H32 Fe N O5 P Si2 W
• SMILES: C1([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[cH]8[cH]93)N(C)[P]1(C([Si](C)(C)C)[Si](C)(C)C)[W](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: 14.5415 ± 0.0002 Å
• b: 16.5338 ± 0.0002 Å
• c: 19.5865 ± 0.0002 Å
• α: 109.005 ± 0.0007°
• β: 90.3535 ± 0.0006°
• γ: 97.4184 ± 0.0006°
• Cell volume: 4409.31 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.744
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No