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Information card for entry 7210799
Preview
| Coordinates | 7210799.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H68 Cd2 Cl2 Cu4 N14 O18 |
|---|---|
| Calculated formula | C72 H64 Cd2 Cl2 Cu4 N14 O18 |
| SMILES | C1#[N][Cd]23([O]4[Cu]56[N](CCC[N]6=Cc6c4cccc6)=Cc4ccccc4[O]25)([O]2c4ccccc4C=[N]4CCC[N]5=Cc6c(cccc6)[O]3[Cu]245)N=C=NC#[N][Cd]23(N=C=N1)([O]1c4ccccc4C=[N]4CCC[N]5=Cc6ccccc6[O]2[Cu]145)[O]1c2ccccc2C=[N]2CCC[N]4=Cc5ccccc5[O]3[Cu]124.Cl(=O)(=O)(=O)[O-].O.Cl(=O)(=O)(=O)[O-].O |
| Title of publication | Structural diversity in the complexes based on a hetero-trimetallic Cu2Cd node and dicyanamide spacer: a hexanuclear cluster, a 1D stair polymer and a 1D zigzag chain as supramolecular isomers, and a 3D network |
| Authors of publication | Das, Lakshmi Kanta; Ghosh, Ashutosh |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 45 |
| Pages of publication | 9444 |
| a | 12.5726 ± 0.0019 Å |
| b | 13.341 ± 0.002 Å |
| c | 13.473 ± 0.004 Å |
| α | 102.989 ± 0.002° |
| β | 109.678 ± 0.002° |
| γ | 108.726 ± 0.002° |
| Cell volume | 1869.6 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0471 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.088 |
| Weighted residual factors for all reflections included in the refinement | 0.0949 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180438 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/07. |
7210799.cif |
| 90127 | 2013-11-17 | cif/ Adding structures of 7210799, 7210800, 7210801, 7210802 via cif-deposit CGI script. |
7210799.cif |
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Users of the data should acknowledge the original authors of the
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