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Information card for entry 7015556
Preview
| Coordinates | 7015556.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H20 B Cl2 Ir N6 O2 S2 |
|---|---|
| Calculated formula | C16 H20 B Cl2 Ir N6 O2 S2 |
| SMILES | [IrH]12([S]=c3n([B]2(n2c(=[S]1)n(cc2)C)n1nc(cc1C)C)ccn3C)(C#[O])C#[O].C(Cl)Cl |
| Title of publication | Potassium S2N-heteroscorpionates: structure and iridaboratrane formation. |
| Authors of publication | López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 17 |
| Pages of publication | 4647 - 4659 |
| a | 8.8351 ± 0.0002 Å |
| b | 10.3766 ± 0.0002 Å |
| c | 13.2958 ± 0.0004 Å |
| α | 73.239 ± 0.001° |
| β | 84.423 ± 0.001° |
| γ | 85.728 ± 0.001° |
| Cell volume | 1160.24 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0479 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.0749 |
| Weighted residual factors for all reflections included in the refinement | 0.0785 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7015556.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015556.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015556.cif |
| 21190 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015552, 7015553, 7015554, 7015555, 7015556, 7015557, 7015558, 7015559 via cif-deposit CGI script. |
7015556.cif |
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Users of the data should acknowledge the original authors of the
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