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Information card for entry 4337137
Preview
| Coordinates | 4337137.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [RuH{kappa-Si,N-(SiMe2)(C7H12N3)}3] |
|---|---|
| Formula | C27 H55 N9 Ru Si3 |
| Calculated formula | C27 H55 N9 Ru Si3 |
| SMILES | C[Si]1(C)N2C3=[N](CCCN3CCC2)[Ru]231([N]1CCCN4CCCN(C=14)[Si](C)(C)[H]3)[N]1CCCN3CCCN(C=13)[Si]2(C)C |
| 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 | 9.3703 ± 0.0002 Å |
| b | 18.4278 ± 0.0005 Å |
| c | 18.8875 ± 0.0005 Å |
| α | 90° |
| β | 92.53 ± 0.001° |
| γ | 90° |
| Cell volume | 3258.2 ± 0.14 Å3 |
| Cell temperature | 20 ± 2 K |
| Ambient diffraction temperature | 20 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0486 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.1042 |
| Weighted residual factors for all reflections included in the refinement | 0.1068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.17 Å |
| Diffraction radiation type | monochromatic |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179474 (current) | 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. |
4337137.cif |
| 106259 | 2014-03-15 | cif/4/33/ (saulius@kolibris) Fixing tadiation type and radiation probe descriptions in the 10.1021/ic4027199 structure data. |
4337137.cif |
| 106176 | 2014-03-15 | cif/ Adding structures of 4337130, 4337131, 4337132, 4337133, 4337134, 4337135, 4337136, 4337137, 4337138, 4337139 via cif-deposit CGI script. |
4337137.cif |
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