Information card for entry 4303827

Structure parameters

• Formula: C18 H28 Cr N4 Si2
• Calculated formula: C18 H28 Cr N4 Si2
• SMILES: [Cr]12([n]3ccccc3C=N1=Cc1[n]2cccc1)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Aryl-Containing Chelates and Amine Debenzylation to Afford 1,3-Di-2-pyridyl-2-azaallyl (smif): Structures of {κ-C,N,Npy2-(2-pyridylmethyl)2N(CH2(4-tBu-phenyl-2-yl))}FeBr and (smif)CrN(TMS)2
• Authors of publication: Brenda A. Frazier; Peter T. Wolczanski; Emil B. Lobkovsky
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11576 - 11585
• a: 8.0101 ± 0.0004 Å
• b: 11.5495 ± 0.0005 Å
• c: 11.9921 ± 0.0007 Å
• α: 95.263 ± 0.001°
• β: 91.093 ± 0.004°
• γ: 107.584 ± 0.004°
• Cell volume: 1051.84 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No