Information card for entry 7014037

Structure parameters

• Chemical name: Bis(1,2,3,4,5-pentamethylcyclopentadienyl)barium(II)dien
• Formula: C24 H43 Ba N3
• Calculated formula: C24 H43 Ba N3
• 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: 21.346 ± 0.008 Å
• b: 20.514 ± 0.017 Å
• c: 15.413 ± 0.01 Å
• α: 90°
• β: 130.5 ± 0.04°
• γ: 90°
• Cell volume: 5132 ± 6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No