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Information card for entry 7026516
Preview
| Coordinates | 7026516.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94 H82 Cl5 Co4 N8 O27 P6 Sb5 |
|---|---|
| Calculated formula | C94 H82 Cl5 Co4 N8 O27 P6 Sb5 |
| SMILES | c1(ccc(cc1)Cl)[Sb]12345OP6(=[O][Co]789%10([O]2[Sb]2%11%12%13%10([O]%10[Sb]%14%155(c5ccc(cc5)Cl)(OP(O1)(=[O][Co]([n]1ccccc1)([O]3%14)(O6)[O]=P(O%15)(c1ccccc1)O[Co]1%11%10([n]3ccccc3)(OP3(O[Sb]56%10(c%11ccc(cc%11)Cl)(OP%11(O[Sb]%14%10(c%10ccc(cc%10)Cl)([O]5[Co]([n]5ccccc5)([O]=3)([O]=%11)[O]=P(O%14)(c3ccccc3)O8)(O6)[O]7%12)c3ccccc3)[O]21)c1ccccc1)[O]9%13)c1ccccc1)O4)c1ccc(cc1)Cl)[n]1ccccc1)c1ccccc1.N#CC.N#CC.N#CC.N#CC |
| 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 | 16.8698 ± 0.0007 Å |
| b | 16.8698 ± 0.0007 Å |
| c | 40.0183 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 11388.8 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.1087 |
| Residual factor for significantly intense reflections | 0.108 |
| Weighted residual factors for significantly intense reflections | 0.2119 |
| Weighted residual factors for all reflections included in the refinement | 0.2123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.292 |
| 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. |
7026516.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. |
7026516.cif |
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Users of the data should acknowledge the original authors of the
structural data.