Information card for entry 4317452

Structure parameters

• Formula: C56 H52 Fe O4 Si2
• Calculated formula: C56 H52 Fe O4 Si2
• SMILES: [Fe]1(Oc2c(cccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2c(O1)c([Si](c1ccccc1)(c1ccccc1)c1ccccc1)ccc2)([O]1CCCC1)[O]1CCCC1
• Title of publication: 3,3'-Bis(triphenylsilyl)biphenoxide as a Sterically Hindered Ligand on Fe(II), Fe(III), and Cr(II)
• Authors of publication: Ajay Kayal; Sonny C. Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 321 - 330
• a: 13.8422 ± 0.0006 Å
• b: 14.6838 ± 0.0007 Å
• c: 22.3321 ± 0.0006 Å
• α: 90°
• β: 92.939 ± 0.002°
• γ: 90°
• Cell volume: 4533.2 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• 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: 0.0976
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections: 0.1297
• Weighted residual factors for significantly intense reflections: 0.1105
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No