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Information card for entry 2231168
Preview
| Coordinates | 2231168.cif |
|---|---|
| Structure factors | 2231168.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ~2~-2-amino-5-nitrobenzoato)bis(2-amino-5-nitrobenzoato)octabutyldi- μ~3~-oxido-tetratin(IV) |
|---|---|
| Formula | C60 H92 N8 O18 Sn4 |
| Calculated formula | C60 H92 N8 O18 Sn4 |
| Title of publication | Bis(μ~2~-2-amino-5-nitrobenzoato)bis(2-amino-5-nitrobenzoato)octabutyldi-μ~3~-oxido-tetratin(IV) |
| Authors of publication | Win, Yip-Foo; Choong, Chen-Shang; Teoh, Siang-Guan; Yeap, Chin Sing; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1114 - m1115 |
| a | 14.3292 ± 0.0002 Å |
| b | 15.3691 ± 0.0002 Å |
| c | 18.2096 ± 0.0002 Å |
| α | 80.289 ± 0.001° |
| β | 74.982 ± 0.001° |
| γ | 65.631 ± 0.001° |
| Cell volume | 3519.49 ± 0.08 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0474 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.0657 |
| Weighted residual factors for all reflections included in the refinement | 0.0728 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181233 (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 2/23/11. |
2231168.cif 2231168.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. |
2231168.cif 2231168.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231168.cif 2231168.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. | 2231168.cif 2231168.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231168.cif 2231168.hkl |
| 27076 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231168 via cif-deposit CGI script. |
2231168.cif |
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Users of the data should acknowledge the original authors of the
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