Information card for entry 4331732

Structure parameters

• Formula: C55 H86 Cr N4 O2 Si2
• Calculated formula: C55 H86 Cr N4 O2 Si2
• SMILES: [Cr](O[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)(=NN=C(c1ccccc1)c1ccccc1)=NN=C(c1ccccc1)c1ccccc1.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: 12.705 ± 0.0017 Å
• b: 18.89 ± 0.003 Å
• c: 13.1447 ± 0.0018 Å
• α: 90°
• β: 116.852 ± 0.003°
• γ: 90°
• Cell volume: 2814.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No