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Information card for entry 7112984
Preview
| Coordinates | 7112984.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C285 H345 Cl51 Co24 N36 O38 S24 |
|---|---|
| Calculated formula | C281.96 H333.96 Cl41.88 Co24 N36 O38 S24 |
| Title of publication | Making a [Co24] metallamacrocycle from the shuttlecock-like tetranuclear cobalt-calixarene building blocks. |
| Authors of publication | Bi, Yanfeng; Xu, Guancheng; Liao, Wuping; Du, Shangchao; Wang, Xinwu; Deng, Ruiping; Zhang, Hongjie; Gao, Song |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 34 |
| Pages of publication | 6362 - 6364 |
| a | 28.1842 ± 0.0003 Å |
| b | 28.1842 ± 0.0003 Å |
| c | 46.3608 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 31892.8 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0833 |
| Residual factor for significantly intense reflections | 0.0656 |
| Weighted residual factors for significantly intense reflections | 0.2024 |
| Weighted residual factors for all reflections included in the refinement | 0.2142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201370 (current) | 2017-09-27 | cif/ Removing the _symmetry_INT_tables_number data item with malformed values in entries 1518641, 4025490, 4067724, 4074205, 4074207, 4074208, 4104897, 4104898, 4104899, 4316344, 4316345, 4316346, 4317005, 4502875, 4502876, 4502877, 4502878, 4502879, 4502880, 4502881, 4502882, 4502883, 7014502, 7014503, 7014504, 7014505, 7014506, 7021473, 7021474, 7023369, 7023370, 7023371, 7023372, 7023373, 7023374, 7027947, 7030233, 7030234, 7030235, 7030236, 7030237, 7030238, 7105782, 7106232, 7106233, 7106234, 7106235, 7112984, 7201013, 7204257, 7204606, 7205024, 7205025, 7205026, 7205027, 7205028, 7205029, 7205030, 7207975, 7207976, 7207977, 7207978, 7218857, 7219704. The correct value for this data item is retained in the _space_group_IT_number data item. |
7112984.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7112984.cif |
| 112197 | 2014-04-30 | cif/ Adding structures of 7112984 via cif-deposit CGI script. |
7112984.cif |
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Users of the data should acknowledge the original authors of the
structural data.