Information card for entry 4331728

Structure parameters

• Formula: C53 H120 Cr2 O4 Si4
• Calculated formula: C53 H120 Cr2 O4 Si4
• SMILES: [Cr]12([Cr](O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)([O]1[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[O]2[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C.CCCCC
• Title of publication: The Butterfly Dimer [(tBu3SiO)Cr]2(μ-OSitBu3)2and Its Oxidative Cleavage to (tBu3SiO)2Cr(N−NCPh2)2and (tBu3SiO)2CrN(2,6-Ph2-C6H3)
• Authors of publication: Sydora, Orson L.; Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Dinescu, Adriana; Cundari, Thomas R.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2008 - 2021
• a: 24.524 ± 0.005 Å
• b: 23.142 ± 0.005 Å
• c: 22.978 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13041 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No