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Information card for entry 7110599
Preview
| Coordinates | 7110599.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C98 H120 N8 Na4 Pr2 |
|---|---|
| Calculated formula | C98 H120 N8 Na4 Pr2 |
| SMILES | [c]123C(CC)(CC)c4ccc5C(CC)(CC)[c]67[Pr]89%10%11%12%13%14%152([c]([n]18)([cH]%11[cH]3%14)C(CC)(CC)c1ccc(n91)C([c]%10([n]7%13)[cH]%15[cH]6%12)(CC)CC)(C#C[Pr]1236789%10%11%12%13[c]%14%15C(CC)(CC)c%16ccc(n%11%16)C(CC)(CC)[c]%117[cH]3[cH]%12[c]1([n]9%11)C(c1ccc(C([c]6([n]8%14)[cH]2[cH]%13%15)(CC)CC)n%101)(CC)CC)n45.[Na+].[Na+].[Na+].[Na+].c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1 |
| Title of publication | Lanthanide organometallic chemistry based on the porphyrinogen skeleton: acetylene and ethylene bridging praseodymium and neodymium η5:η1:η5:η1-bonded to meso-octaethylporphyrinogen |
| Authors of publication | Campazzi, Elisa; Solari, Euro; Scopelliti, Rosario; Floriani, Carlo |
| Journal of publication | Chemical Communications |
| Year of publication | 1999 |
| Journal issue | 17 |
| Pages of publication | 1617 |
| a | 15.232 ± 0.001 Å |
| b | 15.232 ± 0.001 Å |
| c | 18.729 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4345.4 ± 0.6 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n :2 |
| Hall space group symbol | -P 4bc |
| Residual factor for all reflections | 0.0361 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0884 |
| Weighted residual factors for all reflections included in the refinement | 0.0971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180219 (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 7/11/05. |
7110599.cif |
| 95477 | 2014-01-28 | cif/ Adding structures of 7110598, 7110599 via cif-deposit CGI script. |
7110599.cif |
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Users of the data should acknowledge the original authors of the
structural data.