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Information card for entry 7014039
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Coordinates | 7014039.cif |
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Original paper (by DOI) | HTML |
Chemical name | Bis(1,2,3,4,5-pentamethylcyclopentadienyl)barium(II)triglyme |
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Formula | C28 H48 Ba O4 |
Calculated formula | C28 H48 Ba O4 |
SMILES | [Ba]123456789%10([c]%11([c]1([c]2([c]3([c]4%11C)C)C)C)C)([c]1([c]5([c]6([c]7([c]81C)C)C)C)C)[O](C)CC[O]9CC[O]%10CCOC |
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 | 16.62 ± 0.005 Å |
b | 21.738 ± 0.005 Å |
c | 16.243 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5868 ± 3 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.083 |
Residual factor for significantly intense reflections | 0.0689 |
Weighted residual factors for significantly intense reflections | 0.1821 |
Weighted residual factors for all reflections included in the refinement | 0.1934 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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