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Information card for entry 2210937
Preview
Coordinates | 2210937.cif |
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Structure factors | 2210937.hkl |
Original IUCr paper | HTML |
Chemical name | chloro(4-ethyl-1-isopropylidene-3-thiosemicarbazidato- κ^2^N^3^,S)dimethyltin(IV)‒4-ethyl-1-isopropylidene-3-thiosemicarbazone (1/1) |
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Formula | C14 H31 Cl N6 S2 Sn |
Calculated formula | C14 H31 Cl N6 S2 Sn |
SMILES | [Sn]1(Cl)(SC(=N[N]1=C(C)C)NCC)(C)C.S=C(NN=C(C)C)NCC |
Title of publication | A 1:1 cocrystal of chloro(4-ethyl-1-isopropylidene-3-thiosemicarbazidato-κ^2^<i>N</i>^3^,<i>S</i>)dimethyltin(IV) and 4-ethyl-1-isopropylidene-3-thiosemicarbazone |
Authors of publication | Swesi, Abdurazag T.; Farina, Yang; Venkatraman, Ramaiyer; Ng, Seik Weng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 11 |
Pages of publication | m3020 - m3021 |
a | 25.488 ± 0.003 Å |
b | 7.8171 ± 0.0007 Å |
c | 25.693 ± 0.003 Å |
α | 90° |
β | 116.904 ± 0.001° |
γ | 90° |
Cell volume | 4565.1 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.057 |
Residual factor for significantly intense reflections | 0.048 |
Weighted residual factors for significantly intense reflections | 0.115 |
Weighted residual factors for all reflections included in the refinement | 0.12 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
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/2210937.html
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