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Information card for entry 7027017
Preview
Coordinates | 7027017.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H27 Mn N2 O6 |
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Calculated formula | C23 H27 Mn N2 O6 |
SMILES | [Mn]1234(Oc5c(OC)cccc5C=[N]3CCC[N]4=Cc3c(O1)c(OC)ccc3)[O]=C(O2)C(C)C |
Title of publication | Further attempts to rationalise the co-ordination chemistry of manganese with Schiff base ligands and supplementary carboxylate donors |
Authors of publication | Watkinson, Michael; Fondo, Matilde; Bermejo, Manuel R.; Sousa, Antonio; McAuliffe, Charles A.; Pritchard, Robin G.; Jaiboon, Nongnuj; Aurangzeb, Nadeem; Naeem, Mohammed |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 1 |
Pages of publication | 31 |
a | 9.692 ± 0.002 Å |
b | 12.088 ± 0.002 Å |
c | 20.027 ± 0.004 Å |
α | 90° |
β | 99.55 ± 0.03° |
γ | 90° |
Cell volume | 2313.8 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1063 |
Residual factor for significantly intense reflections | 0.1051 |
Weighted residual factors for significantly intense reflections | 0.2923 |
Weighted residual factors for all reflections included in the refinement | 0.2957 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.451 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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