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Information card for entry 4337327
Preview
| Coordinates | 4337327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94 H141 Ni8 O40 P2 |
|---|---|
| Calculated formula | C94 H141 Ni8 O40 P2 |
| SMILES | C1(C(C)(C)C)=[O][Ni]234([O]=C(C(C)(C)C)O[Ni]567([O]=C(C(C)(C)C)O[Ni]89([O]=P%10(Cc%11ccc(cc%11)C(C)(C)C)[O]%11[Ni]%12%13%14([O]%15[Ni]%16%17([O]%18[Ni]%19([O]=C(C(C)(C)C)O[Ni]%18(O1)([O]%10%19)([O]2C)[O]3P%15(Cc1ccc(cc1)C(C)(C)C)=[O]6)([O]=C(C(C)(C)C)O%17)(OC(=O)C(C)(C)C)[O]%14%16)([O]=C(C(C)(C)C)O%13)OC(=O)C(C)(C)C)[O]=C(C(C)(C)C)O[Ni]%11([O]=C(C(C)(C)C)O9)(OC(=O)C(C)(C)C)([O]%12C)[O]58)(OC(=O)C(C)(C)C)[O]47)OC(=O)C(C)(C)C)OC(=O)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 | 57 ± 0.007 Å |
| b | 16.0479 ± 0.0018 Å |
| c | 30.275 ± 0.003 Å |
| α | 90° |
| β | 105.678 ± 0.006° |
| γ | 90° |
| Cell volume | 26663 ± 5 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1895 |
| Residual factor for significantly intense reflections | 0.1228 |
| Weighted residual factors for significantly intense reflections | 0.2646 |
| Weighted residual factors for all reflections included in the refinement | 0.2791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| 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. |
4337327.cif |
| 106276 | 2014-03-15 | cif/ Adding structures of 4337327 via cif-deposit CGI script. |
4337327.cif |
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Users of the data should acknowledge the original authors of the
structural data.