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Information card for entry 7110598
Preview
| Coordinates | 7110598.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C134 H220 N8 Na4 Nd2 O22 |
|---|---|
| Calculated formula | C134 H220 N8 Na4 Nd2 O22 |
| SMILES | c12C(CC)(CC)[c]34[n]5[c]6([cH]7[cH]38)C(CC)(CC)c3n9[Nd]%10%11%12%13%14%1545678([c]4([n]%12[c]%10([cH]%14[cH]4%15)C(c9cc3)(CC)CC)C(c(cc1)n2%13)(CC)CC)[CH2]1[CH2]%11[Nd]23456789%10%11%121[c]1%13[n]5[c]2([cH]3[cH]9%13)C(CC)(CC)c2n6c(cc2)C([c]28[n]7[c]%10([cH]%11[cH]2%12)C(c2ccc(C1(CC)CC)n42)(CC)CC)(CC)CC.O1CCCC1.[Na]([O]1CCCC1)[O]1CCCC1.[Na]([O]1CCCC1)[O]1CCCC1.[Na]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)([O]1CCCC1)[O]1CC[O](CC1)[Na]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[O]1CCCC1 |
| 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 | 15.53 ± 0.003 Å |
| b | 15.847 ± 0.004 Å |
| c | 16.647 ± 0.005 Å |
| α | 113.08 ± 0.03° |
| β | 111.51 ± 0.02° |
| γ | 95.86 ± 0.02° |
| Cell volume | 3359 ± 2 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 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 | 0.1045 |
| Residual factor for significantly intense reflections | 0.0842 |
| Weighted residual factors for significantly intense reflections | 0.2253 |
| Weighted residual factors for all reflections included in the refinement | 0.2489 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| 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. |
7110598.cif |
| 95477 | 2014-01-28 | cif/ Adding structures of 7110598, 7110599 via cif-deposit CGI script. |
7110598.cif |
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Users of the data should acknowledge the original authors of the
structural data.