Information card for entry 4317450

Structure parameters

• Formula: C58 H44 Fe N2 O2 Si2
• Calculated formula: C58 H44 Fe N2 O2 Si2
• SMILES: c1cccc2[n]1[Fe]1(Oc3c(c4c(O1)c(ccc4)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)cccc3[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccccc21
• 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: 13.9516 ± 0.0007 Å
• b: 15.2681 ± 0.0006 Å
• c: 21.2529 ± 0.001 Å
• α: 90°
• β: 96.216 ± 0.002°
• γ: 90°
• Cell volume: 4500.6 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections: 0.1251
• Weighted residual factors for significantly intense reflections: 0.1056
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No