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Information card for entry 7041118
Preview
| Coordinates | 7041118.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20.5 H28.5 Cl3 N3 O1.25 Ru S |
|---|---|
| Calculated formula | C20.5 H27.75 Cl3 N3 O1.25 Ru S |
| SMILES | [Ru]123456(Cl)([S]=C(NC)N[N]1=Cc1ccc(OC)cc1)[c]1([cH]2[cH]3[c]6([cH]4[cH]51)C(C)C)C.[Cl-].ClCCl.O |
| Title of publication | New dinuclear ruthenium arene complexes containing thiosemicarbazone ligands: synthesis, structure and cytotoxic studies. |
| Authors of publication | Su, Wei; Tang, Zhaofeng; Li, Peiyuan; Wang, Gufeng; Xiao, Qi; Li, Yuchun; Huang, Shan; Gu, Yunqiong; Lai, Zefeng; Zhang, Yuexing |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 48 |
| Pages of publication | 19329 - 19340 |
| a | 13.1337 ± 0.0009 Å |
| b | 20.1079 ± 0.0019 Å |
| c | 20.8773 ± 0.0013 Å |
| α | 113.651 ± 0.008° |
| β | 90.091 ± 0.005° |
| γ | 99.696 ± 0.007° |
| Cell volume | 4963.6 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2166 |
| Residual factor for significantly intense reflections | 0.1715 |
| Weighted residual factors for significantly intense reflections | 0.4172 |
| Weighted residual factors for all reflections included in the refinement | 0.4411 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202518 (current) | 2017-11-02 | cif/7 Fixing some Z values and formulae |
7041118.cif |
| 190125 | 2017-01-09 | cif/ Updating files of 7041117, 7041118, 7041119, 7041120, 7041121, 7041122, 7041123, 7041124, 7041125, 7041126 Original log message: Adding full bibliography for 7041117--7041126.cif. |
7041118.cif |
| 188027 | 2016-11-08 | cif/ Adding structures of 7041117, 7041118, 7041119, 7041120, 7041121, 7041122, 7041123, 7041124, 7041125, 7041126 via cif-deposit CGI script. |
7041118.cif |
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Users of the data should acknowledge the original authors of the
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