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Information card for entry 7026512
Preview
| Coordinates | 7026512.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H66 Cl4 Co2 N2 O20 P4 Sb4 |
|---|---|
| Calculated formula | C66 H66 Cl4 Co2 N2 O20 P4 Sb4 |
| SMILES | [n]1(ccc(cc1)CC)[Co]1234[O](C)[Sb]567(c8ccc(cc8)Cl)OP(O[Sb]8(c9ccc(cc9)Cl)(O[Sb]9%10%11(c%12ccc(cc%12)Cl)OP%12(=[O][Co]%13([n]%14ccc(cc%14)CC)([O]%10C)([O]=P(O5)(O8)c5ccccc5)[O](C)[Sb](c5ccc(cc5)Cl)(O6)(OP(=[O]1)(O9)c1ccccc1)([O]%12)[O]%11%13)c1ccccc1)([O]3C)[O]47)(=[O]2)c1ccccc1 |
| Title of publication | Synthesis and structural and magnetic characterisation of cobalt(ii) complexes of mixed phosphonate-antimonate ligands. |
| Authors of publication | Ali, Shoaib; Muryn, Christopher A.; Tuna, Floriana; Winpenny, Richard E. P. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 40 |
| Pages of publication | 9588 - 9597 |
| a | 12.5774 ± 0.0005 Å |
| b | 11.8992 ± 0.0004 Å |
| c | 24.9253 ± 0.0008 Å |
| α | 90° |
| β | 100.943 ± 0.003° |
| γ | 90° |
| Cell volume | 3662.5 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0676 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0659 |
| Weighted residual factors for all reflections included in the refinement | 0.0775 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179971 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/65. |
7026512.cif |
| 93520 | 2014-01-13 | cif/ Adding structures of 7026506, 7026507, 7026508, 7026509, 7026510, 7026511, 7026512, 7026513, 7026514, 7026515, 7026516, 7026517 via cif-deposit CGI script. |
7026512.cif |
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Users of the data should acknowledge the original authors of the
structural data.