Information card for entry 4300962

Structure parameters

• Formula: C42 H87 Cr Na O3 Si3
• Calculated formula: C42 H87 Cr Na O3 Si3
• SMILES: c1ccccc1.C(C)(C)(C)[Si](C(C)(C)C)([O]1[Cr](O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[O]([Na]1)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Low-Coordinate Chromium Siloxides: The "Box" [Cr(μ-Cl)(μ-OSitBu3)]4, Distorted Trigonal [(tBu3SiO)3Cr][Na(benzene)] and [(tBu3SiO)3Cr][Na(dibenzo-18-c-6)], and Trigonal (tBu3SiO)3Cr
• Authors of publication: Sydora, Orson L.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Buda, Corneliu; Cundari, Thomas R.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 2606 - 2618
• a: 13.109 ± 0.0008 Å
• b: 17.0223 ± 0.0013 Å
• c: 22.169 ± 0.0015 Å
• α: 90°
• β: 94.57 ± 0.004°
• γ: 90°
• Cell volume: 4931.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0779
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No