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Information card for entry 4331855
Preview
| Coordinates | 4331855.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H124 N24 O36 Pt4 Tl3 |
|---|---|
| Calculated formula | C48 H124 N24 O36 Pt4 Tl3 |
| SMILES | C1(C(C)(C)C)=[NH][Pt]2([NH3])([O]=N(=O)O[Pt]34([NH]=C(C(C)(C)C)O[Tl]564(OC(=[NH]3)C(C)(C)C)OC(=[NH][Pt]6([NH]=C(O5)C(C)(C)C)([NH3])([NH3])[O]=N(O[Pt]34([NH]=C(C(C)(C)C)O[Tl]54(OC(C(C)(C)C)=[NH]3)([O]=N(O5)=O)(ON(=O)=O)[OH]CCOCC)([NH3])[NH3])=O)C(C)(C)C)([NH3])[NH3])([NH]=C(C(C)(C)C)O[Tl]32(O1)([O]=N(=O)O3)(ON(=O)=O)[OH]CCOCC)[NH3].N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Spectral and Structural Characterization of Amidate-Bridged Platinum−Thallium Complexes with Strong Metal−Metal Bonds |
| Authors of publication | Chen, Wanzhi; Liu, Fenghui; Matsumoto, Kazuko; Autschbach, Jochen; Le Guennic, Boris; Ziegler, Tom; Maliarik, Mikhail; Glaser, Julius |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 11 |
| Pages of publication | 4526 - 4536 |
| a | 11.546 ± 0.004 Å |
| b | 16.706 ± 0.006 Å |
| c | 17.045 ± 0.006 Å |
| α | 62.989 ± 0.006° |
| β | 75.275 ± 0.006° |
| γ | 72.367 ± 0.006° |
| Cell volume | 2765.1 ± 1.7 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.1209 |
| Residual factor for significantly intense reflections | 0.0729 |
| Weighted residual factors for significantly intense reflections | 0.1965 |
| Weighted residual factors for all reflections included in the refinement | 0.2334 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179421 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/18. |
4331855.cif |
| 97941 | 2014-01-29 | cif/ Adding structures of 4331853, 4331854, 4331855, 4331856, 4331857, 4331858 via cif-deposit CGI script. |
4331855.cif |
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Users of the data should acknowledge the original authors of the
structural data.