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Information card for entry 4074344
Preview
| Coordinates | 4074344.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C83 H14 N2 O7 Os3 |
|---|---|
| Calculated formula | C83 H14 N2 O7 Os3 |
| SMILES | [Os]123([Os]45([Os]61(C#[O])(C#[O])(C#[O])[C]17[C]85=[C]54[C]43=[C]32[C]6=1c1c2c3c3c6c4c4c5c5c9c8c8c7c7c1c1c%10c2c2c3c3c6c6c4c4c5c5c9c9c8c8c7c1c1c7c%10c2c2c3c3c6c4c4c5c5c9c8c1c1c7c2c3c4c51)(C#[N]Cc1ccccc1)(C#[O])C#[O])(C#[N]Cc1ccccc1)(C#[O])C#[O] |
| Title of publication | Syntheses, Structures, and Electrochemical Properties of Os3(CO)9-n(CNCH2Ph)n(μ3-η2:η2:η2-C60) (n= 2−4) |
| Authors of publication | Lee, Chang Yeon; Park, Bo Keun; Yoon, Jung Hee; Hong, Chang Seop; Park, Joon T. |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 19 |
| Pages of publication | 4634 |
| a | 10.007 Å |
| b | 13.1496 ± 0.0002 Å |
| c | 21.9466 ± 0.0003 Å |
| α | 84.321 ± 0.001° |
| β | 89.819 ± 0.001° |
| γ | 71.355 ± 0.001° |
| Cell volume | 2721.67 ± 0.06 Å3 |
| Cell temperature | 566 ± 2 K |
| Ambient diffraction temperature | 566 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0906 |
| Residual factor for significantly intense reflections | 0.071 |
| Weighted residual factors for significantly intense reflections | 0.2083 |
| Weighted residual factors for all reflections included in the refinement | 0.227 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178632 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/43. |
4074344.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074344.cif |
| 48324 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4074344 via cif-deposit CGI script. |
4074344.cif |
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Users of the data should acknowledge the original authors of the
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