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Information card for entry 1520289
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Coordinates | 1520289.cif |
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Formula | C37 H27 Cr N Na O14 S24 |
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Calculated formula | C37 H27 Cr N Na O14 S24 |
SMILES | C1CSC2=C(S1)SC(=C1SC3=C(S1)SCCS3)S2.C1SC2=C(SC1)SC(=C1SC3=C(S1)SCCS3)S2.C1CSC2=C(S1)SC(=C1SC3=C(S1)SCCS3)S2.C1(=O)O[Cr]23(OC(=O)C(O2)=O)(OC(=O)C(=O)O3)OC1=O.CN(=O)=O.[Na+] |
Title of publication | C37H27CrNNaO14S24 |
Authors of publication | Martin, Lee; Horton, Peter N.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2009 |
Pages of publication | 1234 |
a | 10.455 ± 0.0004 Å |
b | 14.6532 ± 0.0008 Å |
c | 18.1135 ± 0.001 Å |
α | 90° |
β | 94.095 ± 0.002° |
γ | 90° |
Cell volume | 2767.9 ± 0.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0896 |
Residual factor for significantly intense reflections | 0.0641 |
Weighted residual factors for significantly intense reflections | 0.1221 |
Weighted residual factors for all reflections included in the refinement | 0.136 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1520289.html
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