Information card for entry 4118625

Structure parameters

• Formula: C36 H28 Fe2 O8 P6
• Calculated formula: C36 H28 Fe2 O8 P6
• SMILES: C1CP(c2ccccc2)P([P@]1(c1ccccc1)[Fe](C#[O])(C#[O])(C#[O])C#[O])P1[P@](CCP1c1ccccc1)(c1ccccc1)[Fe](C#[O])(C#[O])(C#[O])C#[O].C1CP(c2ccccc2)P([P@@]1(c1ccccc1)[Fe](C#[O])(C#[O])(C#[O])C#[O])P1[P@@](CCP1c1ccccc1)(c1ccccc1)[Fe](C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: P-N/P-P Bond Metathesis for the Synthesis of Complex Polyphosphanes
• Authors of publication: Kai-Oliver Feldmann; Jan J. Weigand
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 15443 - 15456
• a: 14.8647 ± 0.0005 Å
• b: 13.8772 ± 0.0005 Å
• c: 19.5756 ± 0.0007 Å
• α: 90°
• β: 110.079 ± 0.001°
• γ: 90°
• Cell volume: 3792.6 ± 0.2 ų
• Cell temperature: 153 ± 1 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No