Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2227771
Preview
| Coordinates | 2227771.cif |
|---|---|
| Structure factors | 2227771.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aquachlorido{2-[2-(cyclohexylcarbamothioyl-κ<i>S</i>)hydrazinylidene- κ<i>N</i>^1^]propanoato(2-)}phenyltin(IV) |
|---|---|
| Formula | C16 H22 Cl N3 O3 S Sn |
| Calculated formula | C16 H22 Cl N3 O3 S Sn |
| SMILES | [Sn]12(Cl)(SC(NC3CCCCC3)=N[N]2=C(C)C(=O)O1)c1ccccc1.O |
| Title of publication | Aquachlorido{2-[2-(cyclohexylcarbamothioyl-κ<i>S</i>)hydrazinylidene-κ<i>N</i>^1^]propanoato(2{-})}phenyltin(IV) |
| Authors of publication | Affan, Md. Abu; Salam, Md. Abdus; Jusoh, Ismail; Ng, Seik Weng; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | m1112 - m1113 |
| a | 16.3904 ± 0.0009 Å |
| b | 19.2018 ± 0.001 Å |
| c | 13.1127 ± 0.0007 Å |
| α | 90° |
| β | 108.442 ± 0.0007° |
| γ | 90° |
| Cell volume | 3915 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.036 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections included in the refinement | 0.091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.19 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181198 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/77. |
2227771.cif 2227771.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227771.cif 2227771.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227771.cif 2227771.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. | 2227771.cif 2227771.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227771.cif 2227771.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227771.cif 2227771.hkl |
| 4808 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227771 via cif-deposit CGI script. |
2227771.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.