Information card for entry 4317446

Structure parameters

• Formula: C66 H62 Cl Fe N2 O4 Si2
• Calculated formula: C62 H54 Cl Fe N2 O3 Si2
• SMILES: [Fe]12(Cl)([n]3ccccc3c3[n]1cccc3)Oc1c(cccc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(O2)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1.O(CC)CC
• 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: 12.8214 ± 0.0006 Å
• b: 29.735 ± 0.002 Å
• c: 15.7349 ± 0.0009 Å
• α: 90°
• β: 99.158 ± 0.003°
• γ: 90°
• Cell volume: 5922.4 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.0829
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections: 0.1249
• Weighted residual factors for significantly intense reflections: 0.1154
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for significantly intense reflections: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No