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Information card for entry 7015937
Preview
Coordinates | 7015937.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H65 Cl2 Fe N7 O21 |
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Calculated formula | C56 H65 Cl2 Fe N7 O21 |
SMILES | [Fe]123([n]4c(ccc(C(=O)OCC)c4)c4ccc(c[n]14)C(=O)OCC)([n]1c(ccc(C(=O)OCC)c1)c1ccc(c[n]21)C(=O)OCC)[n]1c(ccc(C(=O)OCC)c1)c1ccc(C(=O)OCC)c[n]31.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC.CC(C)OC(C)C |
Title of publication | Discriminating octahedral transition metal ions: highly selective tripodal tris-(2,2'-bipyridine) functionalized piperazine cyclophane receptor for Cu(2+) ions. |
Authors of publication | Raatikainen, Kari; Huuskonen, Juhani; Rissanen, Kari |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 21 |
Pages of publication | 5706 - 5710 |
a | 14.9147 ± 0.0002 Å |
b | 24.562 ± 0.0004 Å |
c | 16.545 ± 0.0002 Å |
α | 90° |
β | 94.707 ± 0.001° |
γ | 90° |
Cell volume | 6040.57 ± 0.15 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0976 |
Residual factor for significantly intense reflections | 0.063 |
Weighted residual factors for significantly intense reflections | 0.1265 |
Weighted residual factors for all reflections included in the refinement | 0.1447 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7015937.html
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Users of the data should acknowledge the original authors of the
structural data.