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Information card for entry 4322556
Preview
| Coordinates | 4322556.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C92 H140 N8 Na2 Nd2 O10 |
|---|---|
| Calculated formula | C92 H140 N8 Na2 Nd2 O10 |
| SMILES | c12C(CC)(CC)[c]34n5[Nd]6789%10%11%12%13%14%153([c]3(n8[c]6(C(c6n9c(cc6)C([c]5%11[cH]%12[cH]4%13)(CC)CC)(CC)CC)[cH]%14[cH]3%15)C(c(n17)cc2)(CC)CC)[O](C)CC[O]%10C.c12C(CC)(CC)[c]34n5[Nd]6789%10%11%12%13%14%153([c]3(n8[c]6(C(c6n9c(cc6)C([c]5%11[cH]%12[cH]4%13)(CC)CC)(CC)CC)[cH]%14[cH]3%15)C(c(n17)cc2)(CC)CC)[O](C)CC[O]%10C.[Na]1([O]2CC[O]1CC2)[O]1CC[O](CC1)[Na]1[O]2CC[O]1CC2 |
| 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 | 16.236 ± 0.002 Å |
| b | 13.46 ± 0.002 Å |
| c | 21.626 ± 0.006 Å |
| α | 90° |
| β | 108.11 ± 0.02° |
| γ | 90° |
| Cell volume | 4491.9 ± 1.6 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 | 0.0482 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.1173 |
| Weighted residual factors for all reflections included in the refinement | 0.1304 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| 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. |
4322556.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322556.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322556.cif |
| 20867 | 2011-06-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4322556 via cif-deposit CGI script. |
4322556.cif |
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Users of the data should acknowledge the original authors of the
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