Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2233033
Preview
| Coordinates | 2233033.cif |
|---|---|
| Structure factors | 2233033.hkl |
| Original IUCr paper | HTML |
| Chemical name | [1,4-Phenylenebis(methylene)]bis(triphenylphosphonium) bis(tetrafluoroborate) |
|---|---|
| Formula | C44 H38 B2 F8 P2 |
| Calculated formula | C44 H38 B2 F8 P2 |
| SMILES | c1(ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
| Title of publication | [1,4-Phenylenebis(methylene)]bis(triphenylphosphonium) bis(tetrafluoroborate) |
| Authors of publication | Ibrahim, Hamisu; Koorbanally, Neil; Ramjugernath, Deresh; Bala, Muhammad D.; Nyamori, Vincent O. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | o3391 |
| a | 21.8874 ± 0.0005 Å |
| b | 14.461 ± 0.0003 Å |
| c | 15.2818 ± 0.0003 Å |
| α | 90° |
| β | 123.898 ± 0.001° |
| γ | 90° |
| Cell volume | 4014.78 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0608 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.1074 |
| Weighted residual factors for all reflections included in the refinement | 0.1134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181252 (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 2/23/30. |
2233033.cif 2233033.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. |
2233033.cif 2233033.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233033.cif 2233033.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. | 2233033.cif 2233033.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2233033.cif 2233033.hkl |
| 31927 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2233033 via cif-deposit CGI script. |
2233033.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.