Information card for entry 7220651

Structure parameters

• Formula: C30 H50 Fe P4 S Si
• Calculated formula: C30 H50 Fe P4 S Si
• SMILES: [FeH]1(Sc2c([P]1(c1ccccc1)c1ccccc1)cc([Si](C)(C)C)cc2)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C
• Title of publication: Syntheses and Catalytic Application of Hydrido Iron(II) Complexes with [P,S]-Chelating Ligands in Hydrosilylation of Aldehydes and Ketones
• Authors of publication: xue, benjing; Sun, Hongjian; Li, Xiaoyan
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 14.5546 ± 0.0004 Å
• b: 15.9021 ± 0.0004 Å
• c: 18.4277 ± 0.0005 Å
• α: 65.96 ± 0.002°
• β: 71.351 ± 0.002°
• γ: 73.805 ± 0.002°
• Cell volume: 3635.75 ± 0.18 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0742
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No