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Information card for entry 4083935
Preview
| Coordinates | 4083935.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H28 Fe2 O6 Ru2 |
|---|---|
| Calculated formula | C46 H28 Fe2 O6 Ru2 |
| SMILES | [Ru]1234([Ru]5(C#[O])(C#[O])(C#[O])[C]1(=[C]2(C#Cc1ccccc1)[C]4(=[C]35[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]6[cH]7[cH]8[cH]91)C#Cc1ccccc1)[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)(C#[O])(C#[O])C#[O] |
| Title of publication | Synthesis of Novel Allene-Coordinated, Phosphido-Bridged Ru2Pt Clusters Involving Enyne to Allene Transformation |
| Authors of publication | Mathur, Pradeep; Rai, Dhirendra K.; Joshi, Raj K.; Jha, Badrinath; Mobin, Shaikh M. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 14 |
| Pages of publication | 3857 |
| a | 17.737 ± 0.004 Å |
| b | 13.2614 ± 0.0013 Å |
| c | 33.972 ± 0.004 Å |
| α | 90° |
| β | 90.876 ± 0.015° |
| γ | 90° |
| Cell volume | 7990 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.1285 |
| Residual factor for significantly intense reflections | 0.0718 |
| Weighted residual factors for significantly intense reflections | 0.1817 |
| Weighted residual factors for all reflections included in the refinement | 0.221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178728 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/39. |
4083935.cif |
| 153759 | 2015-08-28 | cif/4 Fixing some Z values and formulae |
4083935.cif |
| 121342 | 2014-08-05 | cif/ Updating files of 4083933, 4083934, 4083935, 4083936, 4083937, 4083938, 4083939, 4083940, 4083941 Original log message: Adding full bibliography for 4083933--4083941.cif. |
4083935.cif |
| 119993 | 2014-07-11 | cif/ Adding structures of 4083933, 4083934, 4083935, 4083936, 4083937, 4083938, 4083939, 4083940, 4083941 via cif-deposit CGI script. |
4083935.cif |
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Users of the data should acknowledge the original authors of the
structural data.