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Information card for entry 7015557
Preview
| Coordinates | 7015557.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H37 B Cl4 Ir N6 O P S2 |
|---|---|
| Calculated formula | C34 H37 B Cl4 Ir N6 O P S2 |
| SMILES | [IrH]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([S]=c3n([B]2(n2c(n(cc2)C)=[S]1)n1nc(cc1C)C)ccn3C)C#[O].C(Cl)Cl.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 | 11.7634 ± 0.0004 Å |
| b | 12.839 ± 0.0005 Å |
| c | 14.8572 ± 0.0006 Å |
| α | 85.971 ± 0.001° |
| β | 72.129 ± 0.001° |
| γ | 67.116 ± 0.002° |
| Cell volume | 1964.45 ± 0.13 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0499 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0821 |
| Weighted residual factors for all reflections included in the refinement | 0.0873 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179859 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/55. |
7015557.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015557.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015557.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. |
7015557.cif |
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Users of the data should acknowledge the original authors of the
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