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Information card for entry 4074346
Preview
| Coordinates | 4074346.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C97 H28 N4 O5 Os3 |
|---|---|
| Calculated formula | C97 H28 N4 O5 Os3 |
| SMILES | [Os]123([Os]45([Os]61([C]17c8c9c%10[C]41=[C]15[C]43c3c5c1c1c%10c%10c%11c%12c%13c%14c%15c%16c%17c%18c(c(c%12%16)c9%11)c8c8c9[C]6=7[C]2=4c2c9c4c6c7c9c(c%11c5c5c1c%10c%13c1c5c%11c5c(c%10c(c95)c6c(c%17c%15%10)c4c%188)c%141)c3c27)(C#[N]Cc1ccccc1)(C#[O])C#[N]Cc1ccccc1)(C#[O])(C#[O])C#[N]Cc1ccccc1)(C#[O])(C#[O])C#[N]Cc1ccccc1 |
| 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 | 9.9255 ± 0.0007 Å |
| b | 14.3279 ± 0.0009 Å |
| c | 22.9116 ± 0.0015 Å |
| α | 73.164 ± 0.002° |
| β | 83.004 ± 0.002° |
| γ | 75.24 ± 0.002° |
| Cell volume | 3011.7 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.0992 |
| Residual factor for significantly intense reflections | 0.0624 |
| Weighted residual factors for significantly intense reflections | 0.1524 |
| Weighted residual factors for all reflections included in the refinement | 0.1797 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| 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. |
4074346.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074346.cif |
| 48326 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4074346 via cif-deposit CGI script. |
4074346.cif |
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Users of the data should acknowledge the original authors of the
structural data.