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Information card for entry 7110372
Preview
| Coordinates | 7110372.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C124 H200 N10 Na4 Nd2 O26 |
|---|---|
| Calculated formula | C124 H200 N10 Na4 Nd2 O26 |
| SMILES | [Nd]123456789%10%11%12%13[n]%14[c]%155C(c5n%163[Na]([O]3CCOCC3)([O]3CCOCC3)[n]32[c]9([cH]%10[cH]%11[c]%123C(c%16cc5)(CC)CC)C(c2[n]1(c(C([c]8%14[cH]7[cH]6%15)(CC)CC)cc2)[Na]([O]1CCOCC1)[n]14[Nd]23456789%10%11%12%14[n]%15[c]%169[cH]8[cH]7[c]6%15C(c6ccc7[n]46[Na]([O]4CCOCC4)([O]4CCOCC4)[n]43[c]%10(C(c3[n]2([Na]([O]2CCOCC2)[n]%1315)c(C%16(CC)CC)cc3)(CC)CC)[cH]%11[cH]%12[c]%144C7(CC)CC)(CC)CC)(CC)CC)(CC)CC.O1CCOCC1.O1CCOCC1.O1CCOCC1.O1CCOCC1.O1CCOCC1.O1CCOCC1.O1CCOCC1 |
| Title of publication | The fixation and reduction of dinitrogen using lanthanides: praseodymium and neodymium meso-octaethylporphyrinogen‒dinitrogen complexes |
| Authors of publication | Campazzi, Elisa; Solari, Euro; Floriani, Carlo; Scopelliti, Rosario |
| Journal of publication | Chemical Communications |
| Year of publication | 1998 |
| Journal issue | 23 |
| Pages of publication | 2603 |
| a | 12.908 ± 0.003 Å |
| b | 15.537 ± 0.002 Å |
| c | 32.885 ± 0.009 Å |
| α | 90° |
| β | 94.02 ± 0.02° |
| γ | 90° |
| Cell volume | 6579 ± 3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0703 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1474 |
| Weighted residual factors for all reflections included in the refinement | 0.1623 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180217 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/03. |
7110372.cif |
| 95018 | 2014-01-28 | cif/ Adding structures of 7110371, 7110372 via cif-deposit CGI script. |
7110372.cif |
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Users of the data should acknowledge the original authors of the
structural data.