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Information card for entry 4326419
Preview
Coordinates | 4326419.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H54 Cl2 Co2 N4 O4 |
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Calculated formula | C46 H54 Cl2 Co2 N4 O4 |
SMILES | [Co]12(Cl)([n]3n([Co](Cl)([n]4n1c(cc4c1ccccc1)c1ccccc1)([O]1CCCC1)[O]12CCCC1)c(cc3c1ccccc1)c1ccccc1)[O]1CCCC1.O1CCCC1 |
Title of publication | Poly(pyrazolyl)aluminate Complexes Containing Aluminum-Hydrogen Bonds |
Authors of publication | Christopher J. Snyder; Mary Jane Heeg; Charles H. Winter |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 9210 - 9212 |
a | 11.1641 ± 0.001 Å |
b | 12.7107 ± 0.0011 Å |
c | 30.885 ± 0.003 Å |
α | 90° |
β | 99.31 ± 0.005° |
γ | 90° |
Cell volume | 4325 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.2062 |
Residual factor for significantly intense reflections | 0.077 |
Weighted residual factors for significantly intense reflections | 0.1416 |
Weighted residual factors for all reflections included in the refinement | 0.1882 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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