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Information card for entry 4324233
Preview
| Coordinates | 4324233.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [({ReO(Phth(Et2btu)2)}2O)2] |
|---|---|
| Formula | C72 H96 Cl0 N16 O14 P0 Re4 S8 |
| Calculated formula | C72 H96 N16 O14 Re4 S8 |
| SMILES | C1(N=C2O[Re]34([S]=1)(=O)OC(=NC(N(CC)CC)=[S]4)c1cccc(C4=NC(N(CC)CC)=[S][Re]5(O[Re]678(OC(=NC(N(CC)CC)=[S]6)c6cccc(C9=NC(=[S][Re]%10(O3)(OC(=NC(N(CC)CC)=[S]%10)c3cccc(C(=NC(N(CC)CC)=[S]8)O7)c3)(=O)O9)N(CC)CC)c6)=O)(O4)(=O)OC(=NC(N(CC)CC)=[S]5)c3cccc2c3)c1)N(CC)CC |
| 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 | 16.0172 ± 0.001 Å |
| b | 18.6209 ± 0.001 Å |
| c | 16.0551 ± 0.001 Å |
| α | 90° |
| β | 117.832 ± 0.01° |
| γ | 90° |
| Cell volume | 4234.6 ± 0.6 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1626 |
| Residual factor for significantly intense reflections | 0.065 |
| Weighted residual factors for significantly intense reflections | 0.1183 |
| Weighted residual factors for all reflections included in the refinement | 0.1657 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.922 |
| 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. |
4324233.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. |
4324233.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324233.cif |
| 40938 | 2012-03-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4324233 via cif-deposit CGI script. |
4324233.cif |
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Users of the data should acknowledge the original authors of the
structural data.