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Information card for entry 4512431
Preview
| Coordinates | 4512431.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94.26 H109.95 B3 N11.42 O23.42 Tb |
|---|---|
| Calculated formula | C94.269 H109.961 B3 N11.423 O23.423 Tb |
| Title of publication | Formation of Lanthanide(III)-Containing Metallosupramolecular Arrays Induced by Tris(spiroborate) Twin Bowl |
| Authors of publication | Danjo, Hiroshi; Nakagawa, Toshi; Katagiri, Kosuke; Kawahata, Masatoshi; Yoshigai, Seiki; Miyazawa, Toshifumi; Yamaguchi, Kentaro |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 1 |
| Pages of publication | 384 |
| a | 14.8384 ± 0.0016 Å |
| b | 15.1755 ± 0.0016 Å |
| c | 24.032 ± 0.003 Å |
| α | 75.638 ± 0.001° |
| β | 77.766 ± 0.001° |
| γ | 66.201 ± 0.001° |
| Cell volume | 4758.3 ± 0.9 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0458 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.1051 |
| Weighted residual factors for all reflections included in the refinement | 0.1099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179671 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/24. |
4512431.cif |
| 130463 | 2015-02-04 | cif/ Updating files of 4512428, 4512429, 4512430, 4512431, 4512432, 4512433, 4512434 Original log message: Adding full bibliography for 4512428--4512434.cif. |
4512431.cif |
| 128183 | 2014-12-06 | cif/ Adding structures of 4512431 via cif-deposit CGI script. |
4512431.cif |
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Users of the data should acknowledge the original authors of the
structural data.