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Information card for entry 2104969
Preview
Coordinates | 2104969.cif |
---|---|
Structure factors | 2104969.hkl |
Original IUCr paper | HTML |
Chemical name | bis(mu~2~-2-(dimethylamino)ethoxo-N,O,O)-di(phenolyato-O)-di-tin(II) |
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Formula | C20 H30 N2 O4 Sn2 |
Calculated formula | C20 H30 N2 O4 Sn2 |
SMILES | C1[N](C)(C)[Sn]2([O](C1)[Sn]1([N](CC[O]21)(C)C)Oc1ccccc1)Oc1ccccc1 |
Title of publication | Bis(μ^2^-2-(dimethylamino)ethoxo-<i>N</i>,<i>O</i>,<i>O</i>)-di(phenolato-<i>O</i>)ditin(II): a high-resolution single-crystal X-ray diffraction and quantum chemical study |
Authors of publication | Korlyukov, Alexander A.; Khrustalev, Victor N.; Vologzhanina, Anna V.; Lyssenko, Konstantin A.; Nechaev, Mikhail. S.; Antipin, Mikhail Yu. |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 4 |
Pages of publication | 315 - 323 |
a | 13.0745 ± 0.0002 Å |
b | 12.9669 ± 0.0002 Å |
c | 13.6824 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2319.66 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0472 |
Residual factor for significantly intense reflections | 0.0229 |
Weighted residual factors for significantly intense reflections | 0.047 |
Weighted residual factors for all reflections included in the refinement | 0.0921 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2104969.html
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Users of the data should acknowledge the original authors of the
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