Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4083938
Preview
| Coordinates | 4083938.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H28 Fe2 O7 Ru2 |
|---|---|
| Calculated formula | C47 H28 Fe2 O7 Ru2 |
| SMILES | [Ru]123([Ru]45(C#[O])(C#[O])(C#[O])[C]1(=[C]4(C(=O)[C]2(=[C]35C#Cc1ccccc1)[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61)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 | 14.0567 ± 0.0018 Å |
| b | 10.4381 ± 0.0012 Å |
| c | 28.404 ± 0.005 Å |
| α | 90° |
| β | 99.102 ± 0.014° |
| γ | 90° |
| Cell volume | 4115.1 ± 1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.122 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.0549 |
| Weighted residual factors for all reflections included in the refinement | 0.0637 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.701 |
| 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. |
4083938.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. |
4083938.cif |
| 119993 | 2014-07-11 | cif/ Adding structures of 4083933, 4083934, 4083935, 4083936, 4083937, 4083938, 4083939, 4083940, 4083941 via cif-deposit CGI script. |
4083938.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.