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Information card for entry 4324232
Preview
| Coordinates | 4324232.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [ReO(Ome){phth(Bu2tu)2}] |
|---|---|
| Formula | C54 H80 N8 O8 Re2 S4 |
| Calculated formula | C54 H80 N8 O8 Re2 S4 |
| SMILES | C1(N=C2O[Re]3([S]=1)(OC)([S]=C(N=C(O3)c1cc(C3=NC(N(CC(C)C)CC(C)C)=[S][Re]4(O3)(=O)(OC(=NC(=[S]4)N(CC(C)C)CC(C)C)c3cc2ccc3)OC)ccc1)N(CC(C)C)CC(C)C)=O)N(CC(C)C)CC(C)C |
| Title of publication | Bipodal Acylthiourea Ligands as Building Blocks for Bi-, Tetra-, and Polynuclear Oxorhenium(V) Complexes |
| Authors of publication | Hung Huy Nguyen; Pham Chien Thang; Axel Rodenstein; Reinhard Kirmse; Ulrich Abram |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 590 - 596 |
| a | 9.2187 ± 0.001 Å |
| b | 10.3465 ± 0.001 Å |
| c | 18.489 ± 0.002 Å |
| α | 76.888 ± 0.01° |
| β | 83.197 ± 0.01° |
| γ | 64.152 ± 0.01° |
| Cell volume | 1545.3 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0858 |
| Residual factor for significantly intense reflections | 0.0578 |
| Weighted residual factors for significantly intense reflections | 0.1372 |
| Weighted residual factors for all reflections included in the refinement | 0.158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288540 (current) | 2023-12-24 | Corrected misspelt variants of the '_computing_publication_material' data name in multiple entries. |
4324232.cif |
| 179345 | 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 4/32/42. |
4324232.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324232.cif |
| 40937 | 2012-03-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4324232 via cif-deposit CGI script. |
4324232.cif |
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Users of the data should acknowledge the original authors of the
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