Information card for entry 1571969

Structure parameters

• Chemical name: 9
• Formula: C61.42 H48.26 Fe4 N0.42 O12.58 P3
• Calculated formula: C61.422 H48.266 Fe4 N0.422 O12.578 P3
• 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: 12.9515 ± 0.0003 Å
• b: 13.3229 ± 0.0003 Å
• c: 19.7999 ± 0.0003 Å
• α: 107.235 ± 0.002°
• β: 91.498 ± 0.002°
• γ: 117.671 ± 0.002°
• Cell volume: 2835.23 ± 0.13 ų
• Cell temperature: 100.02 ± 0.12 K
• Ambient diffraction temperature: 100.02 ± 0.12 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No