Information card for entry 4317448

Structure parameters

• Formula: C72 H84 Na2 O8 Si2
• Calculated formula: C64 H68 Na2 O6 Si2
• SMILES: [O]12c3c(cccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c3c([O]([Na]1([O]1CCCC1)[O]1CCCC1)[Na]2([O]1CCCC1)[O]1CCCC1)c(ccc3)[Si](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: 12.4304 ± 0.0005 Å
• b: 21.341 ± 0.0006 Å
• c: 24.439 ± 0.0011 Å
• α: 90°
• β: 93.278 ± 0.001°
• γ: 90°
• Cell volume: 6472.5 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1399
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections: 0.2694
• Weighted residual factors for significantly intense reflections: 0.2401
• Goodness-of-fit parameter for all reflections: 1.059
• Goodness-of-fit parameter for significantly intense reflections: 1.289
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No