Information card for entry 1571970

Structure parameters

• Chemical name: Fe5(mu5-C)(CO)14(PPh3)
• Formula: C33 H15 Fe5 O14 P
• Calculated formula: C33 H15 Fe5 O14 P
• Title of publication: Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe₆(μ₆-C)(μ₂-CO)₄(CO)₁₂]².
• Authors of publication: Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 29
• Pages of publication: 11455 - 11471
• a: 9.5978 ± 0.0002 Å
• b: 11.8597 ± 0.0002 Å
• c: 14.5875 ± 0.0003 Å
• α: 90°
• β: 90.663 ± 0.002°
• γ: 90°
• Cell volume: 1660.34 ± 0.06 ų
• Cell temperature: 100 ± 0.8 K
• Ambient diffraction temperature: 100 ± 0.8 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No