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Information card for entry 7113684
Preview
| Coordinates | 7113684.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H86 Cl2 Cu2 N8 O4 |
|---|---|
| Calculated formula | C76 H86 Cl2 Cu2 N8 O4 |
| SMILES | [Cl-].[Cl-].[Cu]123[n]4c(CO)cccc4C=[N]1c1c(cc(cc1CC)Cc1cc(c(c(c1)CC)[N]1[Cu]4([n]5c(C=1)cccc5CO)[N](c1c(cc(Cc5cc(c([N]3=Cc3[n]2c(CO)ccc3)c(c5)CC)CC)cc1CC)CC)=Cc1[n]4c(ccc1)CO)CC)CC.c1ccccc1 |
| Title of publication | Aggregation of metallo-supramolecular architectures by metallo-assembled hydrogen bonding sites |
| Authors of publication | Lavalette, Arnaud; Tuna, Floriana; Clarkson, Guy; Alcock, Nathaniel W.; Hannon, Michael J. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 21 |
| Pages of publication | 2666 - 2667 |
| a | 15.355 ± 0.005 Å |
| b | 16.454 ± 0.005 Å |
| c | 16.555 ± 0.005 Å |
| α | 115.86 ± 0.007° |
| β | 95.746 ± 0.009° |
| γ | 110.08 ± 0.007° |
| Cell volume | 3377 ± 1.9 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 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 | 0.2953 |
| Residual factor for significantly intense reflections | 0.1391 |
| Weighted residual factors for significantly intense reflections | 0.3213 |
| Weighted residual factors for all reflections included in the refinement | 0.4035 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.932 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7104876 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210430 (current) | 2018-09-04 | cif/7/ Updating bibliography in entries 7104874-7104876, 7113682-7113684. Marking entries 7113682-7113684 as duplicates of entries 7104874-7104876. |
7113684.cif |
| 180250 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/36. |
7113684.cif |
| 115203 | 2014-06-02 | cif/ Adding structures of 7113682, 7113683, 7113684 via cif-deposit CGI script. |
7113684.cif |
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