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Information card for entry 4337139
Preview
| Coordinates | 4337139.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C59 H68 B F24 N9 Ru Si3 |
|---|---|
| Calculated formula | C59 H68 B F24 N9 Ru Si3 |
| Title of publication | Nature of si-h interactions in a series of ruthenium silazane complexes using multinuclear solid-state NMR and neutron diffraction. |
| Authors of publication | Smart, Katharine A.; Grellier, Mary; Coppel, Yannick; Vendier, Laure; Mason, Sax A.; Capelli, Silvia C.; Albinati, Alberto; Montiel-Palma, Virginia; Muñoz-Hernández, Miguel A; Sabo-Etienne, Sylviane |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 2 |
| Pages of publication | 1156 - 1165 |
| a | 12.5626 ± 0.0003 Å |
| b | 14.8823 ± 0.0004 Å |
| c | 18.5097 ± 0.0004 Å |
| α | 90.597 ± 0.001° |
| β | 102.012 ± 0.001° |
| γ | 93.531 ± 0.001° |
| Cell volume | 3377.43 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0392 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0794 |
| Weighted residual factors for all reflections included in the refinement | 0.0838 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4337139.cif |
| 179474 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/71. |
4337139.cif |
| 106259 | 2014-03-15 | cif/4/33/ (saulius@kolibris) Fixing tadiation type and radiation probe descriptions in the 10.1021/ic4027199 structure data. |
4337139.cif |
| 106176 | 2014-03-15 | cif/ Adding structures of 4337130, 4337131, 4337132, 4337133, 4337134, 4337135, 4337136, 4337137, 4337138, 4337139 via cif-deposit CGI script. |
4337139.cif |
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Users of the data should acknowledge the original authors of the
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