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Information card for entry 7014308
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7014308.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | organotin sulfonate |
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Formula | C72 H60 O10 P4 S2 Sn |
Calculated formula | C72 H60 O10 P4 S2 Sn |
SMILES | c1(ccccc1)P1(=[O][Sn]2(c3ccccc3)(c3ccccc3)([O]=P(c3ccccc3)(c3ccccc3)CP(=[O]2)(c2ccccc2)c2ccccc2)[O]=P(c2ccccc2)(c2ccccc2)C1)c1ccccc1.[O-]S(=O)(=O)c1cccc2c1cccc2S(=O)(=O)[O-] |
Title of publication | Reactions of in situ generated hydrated organotin cations with chelating O,O- or O,N-ligands: a possible structure-directing influence of the organic substituent on tin. |
Authors of publication | Chandrasekhar, Vadapalli; Singh, Puja |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 1 |
Pages of publication | 114 - 123 |
a | 15.154 ± 0.005 Å |
b | 11.657 ± 0.005 Å |
c | 19.051 ± 0.005 Å |
α | 90 ± 0.005° |
β | 112.254 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 3114.7 ± 1.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.055 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.1087 |
Weighted residual factors for all reflections included in the refinement | 0.1229 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7014308.html
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Users of the data should acknowledge the original authors of the
structural data.