Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7015938
Preview
| Coordinates | 7015938.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C81 H86 Cl4 F3 Fe N15 O28 |
|---|---|
| Calculated formula | C81 H86 Cl4 F3 Fe N15 O28 |
| 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 | 13.6922 ± 0.0014 Å |
| b | 18.3992 ± 0.0014 Å |
| c | 19.312 ± 0.002 Å |
| α | 110.059 ± 0.004° |
| β | 91.044 ± 0.006° |
| γ | 94.961 ± 0.006° |
| Cell volume | 4547 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1969 |
| Residual factor for significantly intense reflections | 0.1204 |
| Weighted residual factors for significantly intense reflections | 0.2774 |
| Weighted residual factors for all reflections included in the refinement | 0.3305 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179863 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/59. |
7015938.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015938.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015938.cif |
| 21389 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7015937, 7015938, 7015939 via cif-deposit CGI script. |
7015938.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.