Information card for entry 7014041

Structure parameters

• Chemical name: Bis(N,N-dimethylaminoethyl-1,2,3,4-tetramethylcyclopentadienyl)barium(II)
• Formula: C26 H44 Ba N2
• Calculated formula: C26 H44 Ba N2
• SMILES: [Ba]123456789%10([N](CC[c]%111[c]2([c]3([c]4([c]5%11C)C)C)C)(C)C)[N](CC[c]16[c]7([c]8([c]9([c]1%10C)C)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: 17.028 ± 0.005 Å
• b: 17.028 ± 0.005 Å
• c: 47.342 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 120 ± 0.005°
• Cell volume: 11888 ± 5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No