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Information card for entry 4337326
Preview
| Coordinates | 4337326.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C110 H176 Co12 O58 P4 |
|---|---|
| Calculated formula | C110 H176 Co12 O58 P4 |
| SMILES | C(P12=[O]3[Co]4567[O]8[Co]9%10%11([O](C(=O)O)[Co]%12%138([O]=C(O4)C(C)(C)C)OC(=[O][Co]48%14%15[O](C(=O)O)[Co]%16%17%18%19[O]4[Co]4%20([O]=C(O%16)C(C)(C)C)(OC(=[O]8)C(C)(C)C)[O]8=P(Cc%16ccc(cc%16)C(C)(C)C)([O]%11[Co]%11%16([O]1%10)([O](C(=O)O)[Co]1%10%21%22[O]%11[Co]8([O]=C(O%16)C(C)(C)C)(OC(=[O]1)C(C)(C)C)([O]4=P1(Cc4ccc(cc4)C(C)(C)C)[O]%18[Co]48%11([O](C(=O)O)[Co]%16([O]4[Co]3([O]6C(=O)O)([O]=C(O%16)C(C)(C)C)(OC(=[O]8)C(C)(C)C)[O]7=P(Cc3ccc(cc3)C(C)(C)C)([O]%12%14)[O]%19%11)([O]=C(O%10)C(C)(C)C)([O]2%21)[O]%221)OC(=[O]%17)C(C)(C)C)[O]%20C(=O)O)[O]=C(O9)C(C)(C)C)[O]%13%15)C(C)(C)C)[O]=C(O5)C(C)(C)C)c1ccc(cc1)C(C)(C)C |
| Title of publication | High Nuclearity (Octa-, Dodeca-, and Pentadecanuclear) Metal (M = Co(II), Ni(II)) Phosphonate Cages: Synthesis, Structure, and Magnetic Behavior. |
| Authors of publication | Sheikh, Javeed Ahmad; Adhikary, Amit; Jena, Himanshu Sekhar; Biswas, Soumava; Konar, Sanjit |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 3 |
| Pages of publication | 1606 - 1613 |
| a | 21.5512 ± 0.0018 Å |
| b | 21.5512 ± 0.0018 Å |
| c | 19.1984 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8916.8 ± 1.4 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.0676 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.169 |
| Weighted residual factors for all reflections included in the refinement | 0.1796 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179476 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/73. |
4337326.cif |
| 106275 | 2014-03-15 | cif/ Adding structures of 4337326 via cif-deposit CGI script. |
4337326.cif |
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Users of the data should acknowledge the original authors of the
structural data.