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Information card for entry 7225987
Preview
| Coordinates | 7225987.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H56 Cl2 Cu4 N4 O28 |
|---|---|
| Calculated formula | C43 H56 Cl2 Cu4 N4 O28 |
| Title of publication | A Ni8metallacalix[4]arene and a Cu4molecular rhomboid: limiting the nuclearity of carboxysalen-like metal complexes |
| Authors of publication | Fondo, Matilde; Doejo, Jesús; García-Deibe, Ana M.; Sanmartín-Matalobos, Jesús; Vicente, Ramón |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 35 |
| Pages of publication | 6673 |
| a | 19.086 ± 0.0016 Å |
| b | 18.084 ± 0.0017 Å |
| c | 15.847 ± 0.0015 Å |
| α | 90° |
| β | 107.522 ± 0.004° |
| γ | 90° |
| Cell volume | 5215.8 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0959 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.1205 |
| Weighted residual factors for all reflections included in the refinement | 0.1394 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
7225987.cif |
| 186345 | 2016-09-10 | cif/ Updating files of 7225986, 7225987 Original log message: Adding full bibliography for 7225986--7225987.cif. |
7225987.cif |
| 184566 | 2016-07-21 | cif/ Adding structures of 7225986, 7225987 via cif-deposit CGI script. |
7225987.cif |
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Users of the data should acknowledge the original authors of the
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