Information card for entry 7014042

Structure parameters

• Chemical name: Bis(ethoxyethyl-1,2,3,4-tetramethylcyclopentadienyl)barium(II)
• Formula: C26 H42 Ba O2
• Calculated formula: C26 H42 Ba O2
• SMILES: [Ba]123456789%10([O](CC[c]%111[c]4([c]7([c]2([c]9%11C)C)C)C)CC)[c]1([c]6([c]%10([c]3([c]51CC[O]8CC)C)C)C)C
• Title of publication: Synthesis and characterisation of cyclopentadienyl complexes of barium: precursors for atomic layer deposition of BaTiO3.
• Authors of publication: Hatanpää, Timo; Vehkamäki, Marko; Mutikainen, Ilpo; Kansikas, Jarno; Ritala, Mikko; Leskelä, Markku
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 8
• Pages of publication: 1181 - 1188
• a: 15.202 ± 0.003 Å
• b: 22.907 ± 0.003 Å
• c: 15.135 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5270.5 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No