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Information card for entry 7031960
Preview
Coordinates | 7031960.cif |
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Original paper (by DOI) | HTML |
Formula | C45 H50 Al2 Ca N6 |
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Calculated formula | C45 H50 Al2 Ca N6 |
Title of publication | Synthesis and structures of tris(2-pyridyl)aluminate sandwich compounds [{RAl(2-py')2}2M] (py' = 2-pyridyl, M = Ca, Mn, Fe). |
Authors of publication | García-Rodríguez, Raúl; Bullock, Thomas H.; McPartlin, Mary; Wright, Dominic S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 37 |
Pages of publication | 14045 - 14053 |
a | 9.538 ± 0.0004 Å |
b | 9.5762 ± 0.0005 Å |
c | 12.4193 ± 0.0007 Å |
α | 89.456 ± 0.002° |
β | 72.848 ± 0.002° |
γ | 86.782 ± 0.003° |
Cell volume | 1082.16 ± 0.1 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1995 |
Residual factor for significantly intense reflections | 0.1434 |
Weighted residual factors for significantly intense reflections | 0.3512 |
Weighted residual factors for all reflections included in the refinement | 0.4026 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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