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Information card for entry 7018695
Preview
| Coordinates | 7018695.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H20 Cl2 Cu2 N6 O16 |
|---|---|
| Calculated formula | C24 H20 Cl2 Cu2 N6 O16 |
| Title of publication | Building blocks for coordination polymers: self-assembled cleft-like and planar discrete metallo-macrocyclic complexes. |
| Authors of publication | Abdul-Kadir, Maisara; Hanton, Lyall R.; Sumby, Christopher J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 15 |
| Pages of publication | 4497 - 4505 |
| a | 14.659 ± 0.003 Å |
| b | 13.711 ± 0.002 Å |
| c | 15.44 ± 0.003 Å |
| α | 90° |
| β | 112.636 ± 0.007° |
| γ | 90° |
| Cell volume | 2864.2 ± 0.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0558 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.1295 |
| Weighted residual factors for all reflections included in the refinement | 0.1364 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7018695.cif |
| 179890 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/86. |
7018695.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018695.cif |
| 52164 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 7018691, 7018692, 7018693, 7018694, 7018695 via cif-deposit CGI script. |
7018695.cif |
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Users of the data should acknowledge the original authors of the
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