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Information card for entry 2311672
Preview
Coordinates | 2311672.cif |
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Original paper (by DOI) | HTML |
Formula | C46 H54 Co N2 O4 P2 S4 |
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Calculated formula | C46 H54 Co N2 O4 P2 S4 |
SMILES | c1cc(cc[n]1[Co]12([n]3ccc(cc3)CC)([S]=P(Oc3cc(C)cc(C)c3)(Oc3cc(C)cc(C)c3)S2)[S]=P(Oc2cc(C)cc(C)c2)(Oc2cc(C)cc(C)c2)S1)CC |
Title of publication | Synthesis and structural elucidation of new complexes of 2,4- and 3,5-dimethyl diphenyldithiophosphates with cobalt(II). |
Authors of publication | Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Maninder S.; Pandey, Sushil K. |
Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | Pt 2 |
Pages of publication | 221 - 227 |
a | 9.5631 ± 0.0007 Å |
b | 9.8309 ± 0.0006 Å |
c | 14.2326 ± 0.0009 Å |
α | 99.29 ± 0.003° |
β | 98.602 ± 0.003° |
γ | 112.994 ± 0.003° |
Cell volume | 1181.83 ± 0.14 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0548 |
Residual factor for significantly intense reflections | 0.0364 |
Weighted residual factors for significantly intense reflections | 0.0838 |
Weighted residual factors for all reflections included in the refinement | 0.0921 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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246077 (current) | 2019-12-26 | cif/ Adding structures of 2311669, 2311670, 2311671, 2311672 via cif-deposit CGI script. |
2311672.cif |
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Users of the data should acknowledge the original authors of the
structural data.