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Information card for entry 7110371
Preview
| Coordinates | 7110371.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C104 H176 N10 Na4 O16 Pr2 |
|---|---|
| Calculated formula | C104 H176 N10 Na4 O16 Pr2 |
| SMILES | [Pr]123456789%10%11%12([N]%13[C]%145C(c5[n]3c(C([C]3%10=[CH]%11[CH]9=[C]98[N]23[Na]238%10%15([O](C)CC[O]2C)[N]21[C]3(C([C]7%13=[CH]%12[CH]6=%14)(CC)CC)=[CH]8[CH]%10=[C]%152C9(CC)CC)(CC)CC)cc5)(CC)CC)[N]1[Pr]2356789%10%11%12([N]%13[C]%149C([C]9%15[Na]%16%17%18%19%20([O](C)CC[O]%20C)[N]29[C]%17(C([C]28[N]3%16[C]6(C(c3[n]5c(C([C]%11%13=[CH]%10[CH]=%14)(CC)CC)cc3)(CC)CC)=[CH]%12[CH]7=2)(CC)CC)=[CH]%18[CH]=%15%19)(CC)CC)[N]4=1.[Na]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C.[Na]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C |
| 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 | 20.1877 ± 0.0014 Å |
| b | 19.2513 ± 0.0014 Å |
| c | 29.745 ± 0.002 Å |
| α | 90° |
| β | 94.134 ± 0.006° |
| γ | 90° |
| Cell volume | 11530 ± 1.4 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 | 0.1027 |
| Residual factor for significantly intense reflections | 0.0687 |
| Weighted residual factors for significantly intense reflections | 0.1404 |
| Weighted residual factors for all reflections included in the refinement | 0.1668 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7110371.cif |
| 95018 | 2014-01-28 | cif/ Adding structures of 7110371, 7110372 via cif-deposit CGI script. |
7110371.cif |
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Users of the data should acknowledge the original authors of the
structural data.