Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4322554
Preview
| Coordinates | 4322554.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H72 Gd N4 Na O3 |
|---|---|
| Calculated formula | C48 H72 Gd N4 Na O3 |
| SMILES | [Gd]123456789%10%11([n]%12%13[c]%14%15[cH]%16[cH]%17[c]%18%12C([c]%12%11[cH]%10[cH]9[c]8(n3%12)C(c3n2c(C([c]27[n]1([c]4(C%14(CC)CC)[cH]5[cH]62)[Na]%13%15%16%17%18([O]1CCCC1)[O]1CCCC1)(CC)CC)cc3)(CC)CC)(CC)CC)[O]1CCCC1 |
| Title of publication | Cyclopentadienyl Behavior of Pyrrolyl Anions within the meso-Octaethylporphyrinogen-Binding Lanthanides: Carbon-Hydrogen and Metal-Carbon Bond Rearrangements |
| Authors of publication | Elisa Campazzi; Euro Solari; Rosario Scopelliti; Carlo Floriani |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 6240 - 6245 |
| a | 12.426 ± 0.003 Å |
| b | 16.322 ± 0.003 Å |
| c | 22.572 ± 0.005 Å |
| α | 90° |
| β | 94.05 ± 0.03° |
| γ | 90° |
| Cell volume | 4566.6 ± 1.7 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 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 | 0.2011 |
| Residual factor for significantly intense reflections | 0.0747 |
| Weighted residual factors for significantly intense reflections | 0.1627 |
| Weighted residual factors for all reflections included in the refinement | 0.2187 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.906 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179328 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/25. |
4322554.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322554.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322554.cif |
| 20865 | 2011-06-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4322554 via cif-deposit CGI script. |
4322554.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.