Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2232128
Preview
Coordinates | 2232128.cif |
---|---|
Structure factors | 2232128.hkl |
Original IUCr paper | HTML |
Chemical name | Chloridodiphenyl{[1-(1,3-thiazol-2-yl-κ<i>N</i>)ethylidene]-4- phenylthiosemicarbazidato-κ^2^<i>N</i>^1^,<i>S</i>}tin(IV) methanol monosolvate |
---|---|
Formula | C25 H25 Cl N4 O S2 Sn |
Calculated formula | C25 H25 Cl N4 O S2 Sn |
SMILES | [Sn]12(Cl)(SC(=N[N]1=C(c1scc[n]21)C)Nc1ccccc1)(c1ccccc1)c1ccccc1.OC |
Title of publication | Chloridodiphenyl{[1-(1,3-thiazol-2-yl-κ<i>N</i>)ethylidene]-4-phenylthiosemicarbazidato-κ^2^<i>N</i>^1^,<i>S</i>}tin(IV) methanol monosolvate |
Authors of publication | Arumugam, Sri Ranjini; Dasary, Samuel S. R.; Venkatraman, Ramaiyer; Yu, Hongtao; Fronczek, Frank R. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 10 |
Pages of publication | m1409 - m1410 |
a | 8.5971 ± 0.001 Å |
b | 20.182 ± 0.003 Å |
c | 15.794 ± 0.002 Å |
α | 90° |
β | 102.05 ± 0.007° |
γ | 90° |
Cell volume | 2680 ± 0.6 Å3 |
Cell temperature | 297 ± 0.5 K |
Ambient diffraction temperature | 297 ± 0.5 K |
Number of distinct elements | 7 |
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 | 0.0559 |
Residual factor for significantly intense reflections | 0.0322 |
Weighted residual factors for significantly intense reflections | 0.0626 |
Weighted residual factors for all reflections included in the refinement | 0.0697 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181243 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/21. |
2232128.cif 2232128.hkl |
176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232128.cif 2232128.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232128.cif 2232128.hkl |
88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232128.cif 2232128.hkl |
29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232128.cif 2232128.hkl |
29424 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232128 via cif-deposit CGI script. |
2232128.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.