Information card for entry 7039624

Structure parameters

• Formula: C26 H32 Fe2 O10 P2
• Calculated formula: C26 H32 Fe2 O10 P2
• SMILES: [Fe]([P](C(C)C)(C(C)C)Oc1cccc(O[P]([Fe](C#[O])(C#[O])(C#[O])C#[O])(C(C)C)C(C)C)c1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Direct synthesis of dicarbonyl PCP-iron hydride complexes and catalytic dehydrogenative borylation of styrene.
• Authors of publication: Jiang, Shi; Quintero-Duque, Samuel; Roisnel, Thierry; Dorcet, Vincent; Grellier, Mary; Sabo-Etienne, Sylviane; Darcel, Christophe; Sortais, Jean-Baptiste
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 27
• Pages of publication: 11101 - 11108
• a: 10.6486 ± 0.0003 Å
• b: 10.7354 ± 0.0003 Å
• c: 14.4471 ± 0.0004 Å
• α: 107.642 ± 0.001°
• β: 105.206 ± 0.001°
• γ: 90.314 ± 0.001°
• Cell volume: 1512.27 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No