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Information card for entry 7038140
Preview
Coordinates | 7038140.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H96 Dy3 I5 N2 O12 S4 |
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Calculated formula | C48 H96 Dy3 I5 N2 O12 S4 |
SMILES | [Dy]1(I)(I)([S]2[Dy]34([S]5[S]4[Dy]5(I)([O]4CCCC4)([O]4CCCC4)([O]4CCCC4)([O]4CCCC4)[N]3=S=[N]12)(I)(I)([O]1CCCC1)[O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1.O1CCCC1 |
Title of publication | Ln3I5(S2N2)(S2)(THF)10- a new type of molecular compounds. |
Authors of publication | Fagin, A. A.; Fukin, G. K.; Cherkasov, A. V.; Shestakov, A. F.; Pushkarev, A. P.; Balashova, T. V.; Maleev, A. A.; Bochkarev, M. N. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 11 |
Pages of publication | 4558 - 4562 |
a | 12.418 ± 0.0014 Å |
b | 43.476 ± 0.005 Å |
c | 12.7074 ± 0.0015 Å |
α | 90° |
β | 90.03 ± 0.002° |
γ | 90° |
Cell volume | 6860.5 ± 1.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0346 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for significantly intense reflections | 0.0848 |
Weighted residual factors for all reflections included in the refinement | 0.0851 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7038140.html
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Users of the data should acknowledge the original authors of the
structural data.