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Information card for entry 4337132
Preview
| Coordinates | 4337132.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H32 Cl N3 Ru Si |
|---|---|
| Calculated formula | C24 H32 Cl N3 Ru Si |
| SMILES | c1[n]2c3c(c(n1)Cl)ccn3[Si](C)(C)[Ru]134562([CH]2=[CH]1CC[CH]3=[CH]4CC2)[CH]1=[CH]5C6CCCC=C1 |
| 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 | 9.6855 ± 0.0005 Å |
| b | 14.974 ± 0.0009 Å |
| c | 16.1437 ± 0.001 Å |
| α | 90° |
| β | 107.199 ± 0.002° |
| γ | 90° |
| Cell volume | 2236.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0504 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0566 |
| Weighted residual factors for all reflections included in the refinement | 0.0629 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
4337132.cif |
| 106259 | 2014-03-15 | cif/4/33/ (saulius@kolibris) Fixing tadiation type and radiation probe descriptions in the 10.1021/ic4027199 structure data. |
4337132.cif |
| 106176 | 2014-03-15 | cif/ Adding structures of 4337130, 4337131, 4337132, 4337133, 4337134, 4337135, 4337136, 4337137, 4337138, 4337139 via cif-deposit CGI script. |
4337132.cif |
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Users of the data should acknowledge the original authors of the
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