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Information card for entry 4064085
Preview
| Coordinates | 4064085.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H55 N3 Ru2 |
|---|---|
| Calculated formula | C37 H55 N3 Ru2 |
| SMILES | [Ru]123456([Ru]789%10(N1c1ccccc1)(C2)(C#[N]C(C)(C)C)[c]1([c]%10([c]9([c]8([c]71C)C)C)C)C)(C#[N]C(C)(C)C)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C |
| Title of publication | Synthesis and Reactivity of Coordinatively Unsaturated Dinuclear Ruthenium Bridging Imido Complexes |
| Authors of publication | Takemoto, Shin; Kobayashi, Tomoharu; Ito, Takahiro; Inui, Akira; Karitani, Kenji; Katagiri, Sayuri; Masuhara, Yusaku; Matsuzaka, Hiroyuki |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 8 |
| Pages of publication | 2160 |
| a | 19.7902 ± 0.001 Å |
| b | 16.1809 ± 0.0007 Å |
| c | 23.1204 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7403.7 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.054 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.0983 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178502 (current) | 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 4/06/40. |
4064085.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064085.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064085.cif |
| 32778 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064083, 4064084, 4064085, 4064086, 4064087, 4064088, 4064089, 4064090, 4064091 via cif-deposit CGI script. |
4064085.cif |
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Users of the data should acknowledge the original authors of the
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