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Information card for entry 4077621
Preview
| Coordinates | 4077621.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H84 Na3 O12 Y |
|---|---|
| Calculated formula | C84 H84 Na3 O12 Y |
| SMILES | c1c2c(c3c(c1)[O]4[Y]15([O]([Na]4([O]4CCCC4)[O]4CCCC4)c4ccc6c(c4c4c([O]17)ccc1ccccc41)cccc6)([O]([Na]7([O]1CCCC1)[O]1CCCC1)c1ccc4c(c1c1c6ccccc6ccc1[O]51)cccc4)[O]([Na]1([O]1CCCC1)[O]1CCCC1)c1c3c3ccccc3cc1)cccc2 |
| Title of publication | Pinwheel-Shaped Heterobimetallic Lanthanide Alkali Metal Binaphtholates: Ionic Size Matters! |
| Authors of publication | Aspinall, Helen C.; Bickley, Jamie F.; Dwyer, Jennifer L. M.; Greeves, Nicholas; Kelly, Richard V.; Steiner, Alexander |
| Journal of publication | Organometallics |
| Year of publication | 2000 |
| Journal volume | 19 |
| Journal issue | 25 |
| Pages of publication | 5416 |
| a | 15.1989 ± 0.0016 Å |
| b | 15.1989 ± 0.0016 Å |
| c | 55.338 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 11071 ± 2 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 161 |
| Hermann-Mauguin space group symbol | R 3 c :H |
| Hall space group symbol | R 3 -2"c |
| Residual factor for all reflections | 0.112 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for significantly intense reflections | 0.1101 |
| Weighted residual factors for all reflections included in the refinement | 0.1227 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.841 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178665 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/76. |
4077621.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4077621.cif |
| 54645 | 2012-04-28 | cif/ Adding structures of 4077620, 4077621, 4077622, 4077623, 4077624, 4077625 via cif-deposit CGI script. |
4077621.cif |
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Users of the data should acknowledge the original authors of the
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