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Information card for entry 7037550
Preview
Coordinates | 7037550.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H48 N Na O10 P4 S8 Zn |
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Calculated formula | C20 H48 N Na O10 P4 S8 Zn |
SMILES | C1COCCOP2(=S)S[Zn]3(SP4(=S)CP(=S)(OCCOCCOCCO4)S3)SP(=S)(OCCO1)C2.[NH+](CC)(CC)CC.O.[Na+].O |
Title of publication | Novel crown-ether-methylenediphosphonotetrathioate hybrids as Zn(ii) chelators. |
Authors of publication | Meltzer, Diana; Gottlieb, Hugo E.; Amir, Aviran; Shimon, Linda J. W.; Fischer, Bilha |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 48 |
Pages of publication | 21073 - 21080 |
a | 10.227 ± 0.003 Å |
b | 19.931 ± 0.006 Å |
c | 19.854 ± 0.007 Å |
α | 90° |
β | 91.939 ± 0.012° |
γ | 90° |
Cell volume | 4045 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0651 |
Residual factor for significantly intense reflections | 0.0594 |
Weighted residual factors for significantly intense reflections | 0.1488 |
Weighted residual factors for all reflections included in the refinement | 0.1557 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7037550.html
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