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Information card for entry 7227183
Preview
| Coordinates | 7227183.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H106 Cl2 Cu4 N12 O42 |
|---|---|
| Calculated formula | C74 H106 Cl2 Cu4 N12 O42 |
| SMILES | C(=O)(CC1CC(=O)O[Cu]2([n]3c(c4[n]2cccc4)cccc3)([OH2])OC(=O)CC(CC(=O)O[Cu]23([n]4ccccc4c4[n]2cccc4)[n]2ccccc2c2[n]3cccc2)CC(=O)O[Cu]2([n]3c(c4[n]2cccc4)cccc3)(OC(=O)C1)[OH2])O[Cu]12([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.[O-]Cl(=O)(=O)=O.O.O.O.O.O.O.O.O.O.O.[O-]Cl(=O)(=O)=O.O.O.O.O.O.O.O.O.O.O |
| Title of publication | Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand |
| Authors of publication | Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 2 |
| Pages of publication | 376 |
| a | 13.1193 ± 0.0005 Å |
| b | 14.2591 ± 0.0006 Å |
| c | 14.4095 ± 0.0005 Å |
| α | 60.4 ± 0.004° |
| β | 86.909 ± 0.003° |
| γ | 83.559 ± 0.003° |
| Cell volume | 2328.99 ± 0.18 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0498 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1203 |
| Weighted residual factors for all reflections included in the refinement | 0.1254 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191552 (current) | 2017-02-04 | cif/ Updating files of 7227182, 7227183, 7227184, 7227185, 7227186, 7227187 Original log message: Adding full bibliography for 7227182--7227187.cif. |
7227183.cif |
| 188729 | 2016-11-29 | cif/ Adding structures of 7227182, 7227183, 7227184, 7227185, 7227186, 7227187 via cif-deposit CGI script. |
7227183.cif |
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