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Information card for entry 4063535
Preview
| Coordinates | 4063535.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16.5 H29 B Cl2 N6 O2 Ru S5 |
|---|---|
| Calculated formula | C16.5 H29 B Cl2 N6 O2 Ru S5 |
| Title of publication | On the Nature of “RuCl(dmso)2{HB(mt)3}” (mt = methimazolyl) |
| Authors of publication | Abernethy, Robyn J.; Hill, Anthony F.; Tshabang, Never; Willis, Anthony C.; Young, Rowan D. |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 2 |
| Pages of publication | 488 - 492 |
| a | 10.6309 ± 0.0002 Å |
| b | 10.7378 ± 0.0004 Å |
| c | 12.8683 ± 0.0004 Å |
| α | 109.143 ± 0.0013° |
| β | 93.297 ± 0.002° |
| γ | 98.6958 ± 0.0018° |
| Cell volume | 1362.71 ± 0.07 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 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 | 0.077 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for all reflections | 0.1239 |
| Weighted residual factors for significantly intense reflections | 0.1051 |
| Weighted residual factors for all reflections included in the refinement | 0.1239 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9333 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4063535.cif |
| 178530 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/35. |
4063535.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063535.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063535.cif |
| 24276 | 2011-08-18 | ../uploads/cif-deposit/cod/cif Adding structures of 4063534, 4063535 via cif-deposit CGI script. |
4063535.cif |
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Users of the data should acknowledge the original authors of the
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