Information card for entry 4321675

Structure parameters

• Formula: C13 H34 Fe O P4 S
• Calculated formula: C13 H34 Fe O P4 S
• SMILES: [FeH]12(SC=O)([P](C)(C)CC[P]1(C)C)[P](C)(C)CC[P]2(C)C
• Title of publication: Insertion of CO2, CS2, and COS into Iron(II)-Hydride Bonds
• Authors of publication: Leslie D. Field; Eric T. Lawrenz; Warren J. Shaw; Peter Turner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5632 - 5638
• a: 14.1418 ± 0.0014 Å
• b: 16.9976 ± 0.0017 Å
• c: 18.2308 ± 0.0018 Å
• α: 90°
• β: 108.337 ± 0.002°
• γ: 90°
• Cell volume: 4159.7 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0744
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No