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Information card for entry 7000019
Preview
Coordinates | 7000019.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H42.3 Cu N3 O13.67 S |
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Calculated formula | C20 H41 Cu N3 O13.6667 S |
SMILES | [Cu]12([OH2])([NH]3CC[NH]1Cc1ccccc1OCCOc1c(C[NH]2CC3)cccc1)OS(=O)(=O)[O-].O.O.O.O.O.O.O |
Title of publication | A study of the complexation and extraction of Cu(II) sulfate and Ni(II) sulfate by N3O2-donor macrocycles. |
Authors of publication | Gasperov, Vesna; Galbraith, Stuart G.; Lindoy, Leonard F.; Rumbel, Brendan R.; Skelton, Brian W.; Tasker, Peter A.; White, Allan H. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2005 |
Journal issue | 1 |
Pages of publication | 139 - 145 |
a | 12.01 ± 0.002 Å |
b | 13.212 ± 0.002 Å |
c | 28.428 ± 0.004 Å |
α | 79.278 ± 0.002° |
β | 80.11 ± 0.002° |
γ | 85.473 ± 0.002° |
Cell volume | 4361.1 ± 1.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.067 |
Residual factor for significantly intense reflections | 0.053 |
Weighted residual factors for all reflections | 0.067 |
Weighted residual factors for all reflections included in the refinement | 0.063 |
Goodness-of-fit parameter for all reflections | 1.24 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.3 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7000019.html
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