Information card for entry 4089407

Structure parameters

• Formula: C43 H50 Fe P4 Si
• Calculated formula: C43 H50 Fe P4 Si
• SMILES: c1(ccccc1)[P]1(c2ccccc2)c2ccccc2[Si]2(C)c3ccccc3[P](c3ccccc3)(c3ccccc3)[FeH]12([P](C)(C)C)[P](C)(C)C
• Title of publication: Synthesis and Reactivity of Silyl Iron, Cobalt, and Nickel Complexes Bearing a [PSiP]-Pincer Ligand via Si‒H Bond Activation
• Authors of publication: Wu, Siquan; Li, Xiaoyan; Xiong, Zichang; Xu, Wengang; Lu, Yunqiang; Sun, Hongjian
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 11
• Pages of publication: 3227
• a: 12.269 ± 0.003 Å
• b: 19.311 ± 0.004 Å
• c: 21.144 ± 0.004 Å
• α: 109.49 ± 0.03°
• β: 97.67 ± 0.03°
• γ: 90.58 ± 0.03°
• Cell volume: 4672 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No