Information card for entry 8107405

Structure parameters

• Formula: C26 H21 Fe2 O5 P S2
• Calculated formula: C26 H21 Fe2 O5 P S2
• Title of publication: Crystal structure of pentacarbonyl-(μ 2-ethane-1,2-dithiolato-κ 4 S:S,S′:S′)-(diphenyl(o-tolyl)phosphine-κ 1 P)diiron (Fe–Fe), C26H21Fe2O5PS2
• Authors of publication: Bi, Lu-Yan; Liu, Xu-Feng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 239 - 241
• a: 20.9559 ± 0.0008 Å
• b: 14.1567 ± 0.0006 Å
• c: 9.1976 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2728.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No