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Information card for entry 2228983
Preview
Coordinates | 2228983.cif |
---|---|
Structure factors | 2228983.hkl |
Original IUCr paper | HTML |
Chemical name | bis(μ~2~-pyridine-2,6-dicarboxylato)- κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6^; κ^4^<i>O</i>^2^:<i>O</i>^2^,<i>N</i>,<i>O</i>^6^-bis[aquadibutyltin(IV)] |
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Formula | C30 H46 N2 O10 Sn2 |
Calculated formula | C30 H46 N2 O10 Sn2 |
SMILES | [Sn]123(CCCC)(CCCC)([OH2])[n]4c(C(=O)O1)cccc4C(=O)[O]2[Sn]12(CCCC)(CCCC)([OH2])[n]4c(C(=O)O1)cccc4C(=O)[O]23 |
Title of publication | Monoclinic modification of bis(μ~2~-pyridine-2,6-dicarboxylato)-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6^;κ^4^<i>O</i>^2^:<i>O</i>^2^,<i>N</i>,<i>O</i>^6^-bis[aquadibutyltin(IV)] |
Authors of publication | Ng, Seik Weng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 2 |
Pages of publication | m277 |
a | 16.8882 ± 0.0008 Å |
b | 11.0957 ± 0.0004 Å |
c | 18.094 ± 0.0008 Å |
α | 90° |
β | 90.251 ± 0.004° |
γ | 90° |
Cell volume | 3390.5 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.0716 |
Residual factor for significantly intense reflections | 0.0377 |
Weighted residual factors for significantly intense reflections | 0.1003 |
Weighted residual factors for all reflections included in the refinement | 0.1258 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2228983.html
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Users of the data should acknowledge the original authors of the
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