Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7032219
Preview
| Coordinates | 7032219.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | yusy1 |
|---|---|
| Formula | C91 H66 N24 Pd6 |
| Calculated formula | C90 H66 N24 Pd6 |
| SMILES | c1cccc2c3cccc[n]3[Pd]3([n]12)n1ccc2c4cc5c6ccn7[n]6[Pd]6([n]8c(c9cc(c%10cc[n]3n%10[Pd]3([n]12)[n]1c(c2cccc[n]32)cccc1)cc(c9)c1ccn2[n]1[Pd]1([n]3c(c(c4)c5)ccn3[Pd]42[n]2c(c3cccc[n]43)cccc2)[n]2c(c3cccc[n]13)cccc2)ccn8[Pd]17[n]2c(c3cccc[n]13)cccc2)[n]1c(c2cccc[n]62)cccc1 |
| Title of publication | Self-assembly of tri-pyrazolate linked cages with di-palladium coordination motifs. |
| Authors of publication | Jiang, Xuan-Feng; Deng, Wei; Jin, Rui; Qin, Lin; Yu, Shu-Yan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 42 |
| Pages of publication | 16015 - 16024 |
| a | 12.419 ± 0.003 Å |
| b | 16.935 ± 0.003 Å |
| c | 28.984 ± 0.006 Å |
| α | 93.21 ± 0.03° |
| β | 98.64 ± 0.03° |
| γ | 108.5 ± 0.03° |
| Cell volume | 5680 ± 2 Å3 |
| Cell temperature | 393 ± 2 K |
| Ambient diffraction temperature | 393 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0974 |
| Residual factor for significantly intense reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.1264 |
| Weighted residual factors for all reflections included in the refinement | 0.1356 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7032219.cif |
| 126491 | 2014-11-06 | cif/ Updating files of 7032219, 7032220, 7032221, 7032222, 7032223 Original log message: Adding full bibliography for 7032219--7032223.cif. |
7032219.cif |
| 122703 | 2014-09-02 | cif/ Adding structures of 7032219, 7032220, 7032221, 7032222, 7032223 via cif-deposit CGI script. |
7032219.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.