Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1559021
Preview
| Coordinates | 1559021.cif |
|---|---|
| Structure factors | 1559021.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ~4~-adamantane-1,3-dicarboxylato-1κ<i>O</i>^1^:2κ<i>O</i>^1'^:3κ<i>O</i>^3^:4κ<i>O</i>^3'^)octacarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-tetrakis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>,3κ<i>P</i>,4κ<i>P</i>-tetraosmium(I)(2 <i>Os</i>‒<i>Os</i>) |
|---|---|
| Formula | C116 H112 O16 Os4 P4 |
| Calculated formula | C116 H112 O16 Os4 P4 |
| SMILES | C(#[O])[Os]12(C#[O])([O]=C3O[Os]1(C#[O])(C#[O])([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)[O]=C(O2)C12CC4CC(C5=[O][Os]6(OC(=[O][Os]6(C#[O])(C#[O])(O5)[P](c5ccc(cc5)C)(c5ccc(cc5)C)c5ccc(cc5)C)C56CC7CC3(CC(C7)C5)C6)(C#[O])(C#[O])[P](c3ccc(cc3)C)(c3ccc(cc3)C)c3ccc(cc3)C)(CC(C4)C1)C2)[P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C |
| Title of publication | Bis(μ~4~-adamantane-1,3-dicarboxylato-1κ<i>O</i>^1^:2κ<i>O</i>^1'^:3κ<i>O</i>^3^:4κ<i>O</i>^3'^)octacarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-tetrakis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>,3κ<i>P</i>,4κ<i>P</i>-tetraosmium(I)(2 <i>Os</i>‒<i>Os</i>) |
| Authors of publication | Zometa Paniagua, Diego F.; Powell, Gregory L.; Powell, Cynthia B.; Reinheimer, Eric W. |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 9 |
| Pages of publication | x201204 |
| a | 12.71423 ± 0.00013 Å |
| b | 17.04149 ± 0.00018 Å |
| c | 26.1784 ± 0.0003 Å |
| α | 90° |
| β | 96.7054 ± 0.0009° |
| γ | 90° |
| Cell volume | 5633.26 ± 0.11 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0284 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.069 |
| Weighted residual factors for all reflections included in the refinement | 0.0697 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256247 (current) | 2020-09-09 | cif/ hkl/ Adding structures of 1559021 via cif-deposit CGI script. |
1559021.cif 1559021.hkl |
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.