Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4322557
Preview
| Coordinates | 4322557.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H112 N8 Na2 O2 Pr2 |
|---|---|
| Calculated formula | C80 H112 N8 Na2 O2 Pr2 |
| SMILES | c12C(CC)(CC)[c]34n5[Pr]6789%10%11%12%13%144([c]4(n7[c]8(C(c7n9c(cc7)C([c]5%10[cH]%11[cH]3%12)(CC)CC)(CC)CC)[cH]%13[cH]4%14)C(c(cc1)n26)(CC)CC)[O]1CCCC1.[Na+] |
| 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 | 11.726 ± 0.003 Å |
| b | 13.46 ± 0.002 Å |
| c | 14.693 ± 0.005 Å |
| α | 77.86 ± 0.03° |
| β | 72.47 ± 0.03° |
| γ | 67.738 ± 0.01° |
| Cell volume | 2034.3 ± 1 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 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 | 0.0475 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.1231 |
| Weighted residual factors for all reflections included in the refinement | 0.1402 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.144 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4322557.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322557.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322557.cif |
| 20868 | 2011-06-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4322557 via cif-deposit CGI script. |
4322557.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.