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Information card for entry 4082250
Preview
| Coordinates | 4082250.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C99 H49 Br P2 Ru |
|---|---|
| Calculated formula | C99 H49 Br P2 Ru |
| SMILES | [Ru]12345(Br)([P]([C@@H](C[P]1(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)[c]16[c]72[c]23[c]34[c]51C1(c4c5C3(c3c8C2(c2c9C7(c7c%10C6(c6c1c1c4c4c%11c5c3c3c5c8c2c2c8c9c7c7c9c%10c6c6c1c1c4c4c%11c3c3c5c2c2c8c7c5c9c6c1c1c5c2c3c41)C)C)C)C)C.c1(ccccc1)C |
| Title of publication | Remote Chirality Transfer within a Coordination Sphere by the Use of a Ligand Possessing a Concave Cavity |
| Authors of publication | Matsuo, Yutaka; Mitani, Yuichi; Zhong, Yu-Wu; Nakamura, Eiichi |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 11 |
| Pages of publication | 2826 - 2832 |
| a | 10.586 ± 0.0003 Å |
| b | 26.756 ± 0.0013 Å |
| c | 21.893 ± 0.0009 Å |
| α | 90° |
| β | 94.366 ± 0.003° |
| γ | 90° |
| Cell volume | 6183 ± 0.4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.062 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1461 |
| Weighted residual factors for all reflections included in the refinement | 0.1517 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 4075343 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209802 (current) | 2018-08-16 | cif/4/ Updating bibliography in entries 4075342-4075343, 4082249-4082250. Marking entries 4082249-4082250 as duplicates of entries 4075342-4075343. |
4082250.cif |
| 178711 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/22. |
4082250.cif |
| 158274 | 2015-09-24 | cif/4 Fixing wrong Z values and formulae |
4082250.cif |
| 99250 | 2014-01-30 | cif/ Adding structures of 4082250 via cif-deposit CGI script. |
4082250.cif |
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