Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2228490
Preview
| Coordinates | 2228490.cif |
|---|---|
| Structure factors | 2228490.hkl |
| Original IUCr paper | HTML |
| Chemical name | Octabutylbis(μ~2~-2-chloro-5-nitrobenzoato)bis(2-chloro-5-nitrobenzoato)di- μ~3~-oxido-tetratin(IV) |
|---|---|
| Formula | C30 H42 Cl2 N2 O9 Sn2 |
| Calculated formula | C30 H42 Cl2 N2 O9 Sn2 |
| Title of publication | Octabutylbis(μ~2~-2-chloro-5-nitrobenzoato)bis(2-chloro-5-nitrobenzoato)di-μ~3~-oxido-tetratin(IV) |
| Authors of publication | Win, Yip-Foo; Choong, Chen-Shang; Ha, Sie-Tiong; Goh, Jia Hao; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1698 - m1699 |
| a | 13.2278 ± 0.0014 Å |
| b | 13.2554 ± 0.0014 Å |
| c | 13.3279 ± 0.0013 Å |
| α | 61.523 ± 0.002° |
| β | 87.345 ± 0.002° |
| γ | 63.252 ± 0.002° |
| Cell volume | 1791.7 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0427 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0704 |
| Weighted residual factors for all reflections included in the refinement | 0.0779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181205 (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 2/22/84. |
2228490.cif 2228490.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. |
2228490.cif 2228490.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228490.cif 2228490.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. | 2228490.cif 2228490.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228490.cif 2228490.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228490.cif 2228490.hkl |
| 5792 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228482, 2228483, 2228484, 2228485, 2228486, 2228487, 2228488, 2228489, 2228490, 2228491 via cif-deposit CGI script. |
2228490.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.