Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2229199
Preview
| Coordinates | 2229199.cif |
|---|---|
| Structure factors | 2229199.hkl |
| Original IUCr paper | HTML |
| Chemical name | μ-Carbonato-bis(bis{2-[(diethylamino)methyl]phenyl}bismuth(III)) |
|---|---|
| Formula | C45 H64 Bi2 N4 O3 |
| Calculated formula | C45 H64 Bi2 N4 O3 |
| SMILES | c1(c(cccc1)CN(CC)CC)[Bi](OC(=O)O[Bi](c1c(cccc1)CN(CC)CC)c1c(cccc1)CN(CC)CC)c1ccccc1CN(CC)CC |
| Title of publication | μ-Carbonato-bis(bis{2-[(diethylamino)methyl]phenyl}bismuth(III)) |
| Authors of publication | Soran, Albert P.; Nema, Mihai G.; Breunig, Hans J.; Silvestru, Cristian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | m153 - m154 |
| a | 12.263 ± 0.003 Å |
| b | 12.785 ± 0.002 Å |
| c | 15.286 ± 0.002 Å |
| α | 90° |
| β | 105.94 ± 0.01° |
| γ | 90° |
| Cell volume | 2304.4 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0524 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0992 |
| Weighted residual factors for all reflections included in the refinement | 0.1041 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181212 (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 2/22/91. |
2229199.cif 2229199.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. |
2229199.cif 2229199.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229199.cif 2229199.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. | 2229199.cif 2229199.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229199.cif 2229199.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229199.cif 2229199.hkl |
| 12285 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229199 via cif-deposit CGI script. |
2229199.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.