Information card for entry 7719266

Structure parameters

• Formula: C40 H28 Fe N2 O7
• Calculated formula: C40 H28 Fe N2 O7
• Title of publication: Merging cyclopentadienone tuning and CO to isonitrile substitution to develop photo-activated iron cyclopentadienone catalysts.
• Authors of publication: Gounon, Clémence; Quintil, Gaëtan; Pécaut, Jacques; Clémancey, Martin; Bjornsson, Ragnar; Quintard, Adrien; Kochem, Amélie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 37
• Pages of publication: 14111 - 14122
• a: 15.9281 ± 0.0004 Å
• b: 11.7464 ± 0.0002 Å
• c: 17.5839 ± 0.0004 Å
• α: 90°
• β: 95.001 ± 0.002°
• γ: 90°
• Cell volume: 3277.39 ± 0.12 ų
• Cell temperature: 150.05 ± 0.1 K
• Ambient diffraction temperature: 150.05 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No