Information card for entry 4064391

Structure parameters

• Formula: C58 H28 B F15 Fe O5 P2
• Calculated formula: C58 H28 B F15 Fe O5 P2
• SMILES: [Fe]12([P](c3ccccc3)(c3ccccc3)c3c(cccc3)C2=O)([P](c2ccccc2)(c2c(cccc2)C(O1)=[O][B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1)(C#[O])C#[O]
• Title of publication: Oxidative Addition of a Diphosphine Anhydride to Iron(0) and Nickel(0): A Simple Approach to Installing Four Ligands
• Authors of publication: Ringenberg, Mark R.; Gray, Danielle L.; Rauchfuss, Thomas B.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 10
• Pages of publication: 2885
• a: 15.6244 ± 0.0009 Å
• b: 17.9336 ± 0.0011 Å
• c: 22.4793 ± 0.0014 Å
• α: 90°
• β: 98.069 ± 0.004°
• γ: 90°
• Cell volume: 6236.4 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1312
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No