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Information card for entry 4322553
Preview
| Coordinates | 4322553.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H136 N8 Na2 O8 Pr2 |
|---|---|
| Calculated formula | C88 H136 N8 Na2 O8 Pr2 |
| SMILES | c12C([c]34n5[c]6(C(c7n8c(C([c]9%10[c]%11%12[cH]%13[c]%14([nH]9%15)C(c(cc1)n2[Pr]456812%10%12%13%14%15[c]45[cH]6[c]89C(c%10ccc%12C([c]%13%14[cH]%15[cH]%16[c]%17%18n%13[Pr]469%11%14%15%16%18%13%19(n%10%12)n4c(C([c]5%13n8%19)(CC)CC)ccc4C%17(CC)CC)(CC)CC)(CC)CC)(CC)CC)(CC)CC)cc7)(CC)CC)[cH]1[cH]32)(CC)CC.[Na]12([O](C)CC[O]1C)[O](C)CC[O]2C.[Na]12([O](C)CC[O]1C)[O](C)CC[O]2C |
| 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 | 20.742 ± 0.003 Å |
| b | 21.152 ± 0.006 Å |
| c | 20.474 ± 0.003 Å |
| α | 90° |
| β | 94.801 ± 0.01° |
| γ | 90° |
| Cell volume | 8951 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0406 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.095 |
| Weighted residual factors for all reflections included in the refinement | 0.0997 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| 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. |
4322553.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322553.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322553.cif |
| 20864 | 2011-06-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4322553 via cif-deposit CGI script. |
4322553.cif |
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Users of the data should acknowledge the original authors of the
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