Information card for entry 4317449

Structure parameters

• Formula: C114 H90 Fe2 O4 Si4
• Calculated formula: C108 H84 Fe2 O4 Si4
• SMILES: [Fe]12Oc4c(cccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc4)c4c([O]1[Fe]1Oc5c(cccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc5)c6c([O]21)c([Si](c1ccccc1)(c1ccccc1)c1ccccc1)ccc6)c(ccc4)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1
• 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: 14.371 ± 0.0005 Å
• b: 14.68 ± 0.0004 Å
• c: 44.681 ± 0.002 Å
• α: 90°
• β: 92.67 ± 0.0012°
• γ: 90°
• Cell volume: 9416 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0867
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections: 0.1538
• Weighted residual factors for significantly intense reflections: 0.1393
• Goodness-of-fit parameter for all reflections: 1.019
• Goodness-of-fit parameter for significantly intense reflections: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No