Information card for entry 4317453

Structure parameters

• Formula: C60 H60 Cl8 Cr O4 Si2
• Calculated formula: C60 H60 Cl8 Cr O4 Si2
• SMILES: [Cr]1(Oc2c(cccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2c(O1)c([Si](c1ccccc1)(c1ccccc1)c1ccccc1)ccc2)([O]1CCCC1)[O]1CCCC1.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• 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: 21.783 ± 0.003 Å
• b: 14.335 ± 0.003 Å
• c: 20.126 ± 0.003 Å
• α: 90°
• β: 109.541 ± 0.007°
• γ: 90°
• Cell volume: 5922.6 ± 1.7 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: 0.1704
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections: 0.2239
• Weighted residual factors for significantly intense reflections: 0.1867
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for significantly intense reflections: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No