Information card for entry 7025569

Structure parameters

• Formula: C17 H30 B2 N Sc
• Calculated formula: C17 H30 B2 N Sc
• SMILES: [Sc]1234567([N](c8c(cccc8)[c]81[c]2([c]3([c]4([c]58C)C)C)C)(C)C)([H][BH2][H]6)[H][BH2][H]7
• Title of publication: Synthesis of linked half sandwich rare-earth metal chlorido and borohydrido complexes and their catalytic behavior towards MMA polymerization.
• Authors of publication: Jian, Zhongbao; Zhao, Wei; Liu, Xinli; Chen, Xuesi; Tang, Tao; Cui, Dongmei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 29
• Pages of publication: 6871 - 6876
• a: 9.4847 ± 0.0009 Å
• b: 8.6593 ± 0.0009 Å
• c: 22.574 ± 0.002 Å
• α: 90°
• β: 92.259 ± 0.002°
• γ: 90°
• Cell volume: 1852.6 ± 0.3 ų
• Cell temperature: 186.5 K
• Ambient diffraction temperature: 186.5 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 0.761
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No