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Information card for entry 4509774
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Coordinates | 4509774.cif |
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Original paper (by DOI) | HTML |
Common name | [Co(C12H8N2)2]2 [Co(C12H8N2)2(H2O)]2 [C42H28S6O24] [H2O]29.53 |
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Formula | C138 H169.06 Co4 N16 O55.53 S6 |
Calculated formula | C138 H96 Co4 N16 O55.54 S6 |
Title of publication | Assembly of Seven Supramolecular Compounds withp-Sulfonatocalix[6]arene |
Authors of publication | Liu, Yabing; Liao, Wuping; Bi, Yanfeng; Wang, Xiaofei; Zhang, Hongjie |
Journal of publication | Crystal Growth & Design |
Year of publication | 2009 |
Journal volume | 9 |
Journal issue | 12 |
Pages of publication | 5311 |
a | 12.1344 ± 0.0005 Å |
b | 15.4172 ± 0.0006 Å |
c | 20.3397 ± 0.0007 Å |
α | 80.495 ± 0.001° |
β | 85.236 ± 0.001° |
γ | 89.904 ± 0.001° |
Cell volume | 3739.6 ± 0.2 Å3 |
Cell temperature | 187 ± 2 K |
Ambient diffraction temperature | 187 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0825 |
Residual factor for significantly intense reflections | 0.0615 |
Weighted residual factors for significantly intense reflections | 0.1726 |
Weighted residual factors for all reflections included in the refinement | 0.1863 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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