Information card for entry 4317451

Structure parameters

• Formula: C84 H72 Fe N4 O2 Si2
• Calculated formula: C84 H72 Fe N4 O2 Si2
• SMILES: [Fe]1(Oc2c(cccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2c(O1)c([Si](c1ccccc1)(c1ccccc1)c1ccccc1)ccc2)(C#[N]c1c(cccc1C)C)(C#[N]c1c(cccc1C)C)(C#[N]c1c(cccc1C)C)C#[N]c1c(cccc1C)C
• 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: 16.7731 ± 0.0006 Å
• b: 14.4705 ± 0.0003 Å
• c: 33.6776 ± 0.0012 Å
• α: 90°
• β: 99.991 ± 0.001°
• γ: 90°
• Cell volume: 8050.1 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections: 0.1309
• Weighted residual factors for significantly intense reflections: 0.1236
• Goodness-of-fit parameter for all reflections: 1.059
• Goodness-of-fit parameter for significantly intense reflections: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No