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Information card for entry 7037683
Preview
Coordinates | 7037683.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H24 Cl2 N6 O4 Os |
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Calculated formula | C25 H24 Cl2 N6 O4 Os |
SMILES | [Os]12(Cl)([n]3c(c4[n]1cccc4)cccc3)([n]1[nH]c(C)cc1C)[n]1c(c3[n]2cccc3)cccc1.Cl(=O)(=O)(=O)[O-] |
Title of publication | Substituent directed selectivity in anion recognition by a new class of simple osmium-pyrazole derived receptors. |
Authors of publication | Das, Ankita; Mondal, Prasenjit; Dasgupta, Moumita; Kishore, Nand; Lahiri, Goutam Kumar |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 6 |
Pages of publication | 2605 - 2617 |
a | 15.017 ± 0.008 Å |
b | 11.932 ± 0.005 Å |
c | 15.605 ± 0.008 Å |
α | 90° |
β | 113.401 ± 0.006° |
γ | 90° |
Cell volume | 2566 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 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 | 0.064 |
Residual factor for significantly intense reflections | 0.0499 |
Weighted residual factors for significantly intense reflections | 0.0985 |
Weighted residual factors for all reflections included in the refinement | 0.1048 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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