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Information card for entry 7030979
Preview
| Coordinates | 7030979.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H26 B2 Bi Cl N14 S12 |
|---|---|
| Calculated formula | C22 H26 B2 Bi Cl N14 S12 |
| SMILES | [Bi]123(Cl)([S]=C4SC(=NN4[BH](N4N=C(SC4=[S]1)C)N1N=C(SC1=[S]2)C)C)[S]=C1SC(=NN1[BH](N1N=C(SC1=[S]3)C)N1N=C(SC1=S)C)C.N#CC.N#CC |
| Title of publication | Synthesis, structural and photo-physical studies of bismuth(iii) complexes with Janus scorpionate and co-ligands. |
| Authors of publication | Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 28 |
| Pages of publication | 10956 - 10968 |
| a | 9.5033 ± 0.0002 Å |
| b | 15.4993 ± 0.0004 Å |
| c | 28.4071 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4184.21 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.015 |
| Residual factor for significantly intense reflections | 0.0145 |
| Weighted residual factors for significantly intense reflections | 0.0359 |
| Weighted residual factors for all reflections included in the refinement | 0.0361 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180015 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/09. |
7030979.cif |
| 119482 | 2014-07-07 | cif/ Updating files of 7030979, 7030980, 7030981, 7030982, 7030983, 7030984 Original log message: Adding full bibliography for 7030979--7030984.cif. |
7030979.cif |
| 113968 | 2014-05-19 | cif/ Adding structures of 7030979 via cif-deposit CGI script. |
7030979.cif |
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Users of the data should acknowledge the original authors of the
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