Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4104580
Preview
| Coordinates | 4104580.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H68 B2 Cl4 O12 S4 Si2 |
|---|---|
| Calculated formula | C54 H68 B2 Cl4 O12 S4 Si2 |
| Title of publication | Conjugated Polymer Sensors Built on π-Extended Borasiloxane Cages |
| Authors of publication | Wenjun Liu; Maren Pink; Dongwhan Lee |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 8703 - 8707 |
| a | 38.156 ± 0.008 Å |
| b | 11.041 ± 0.002 Å |
| c | 14.632 ± 0.003 Å |
| α | 90° |
| β | 93.186 ± 0.003° |
| γ | 90° |
| Cell volume | 6155 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0791 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.1756 |
| Weighted residual factors for all reflections included in the refinement | 0.1892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
4104580.cif |
| 178791 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/45. |
4104580.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104580.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104580.cif |
| 29606 | 2011-11-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4104580 via cif-deposit CGI script. |
4104580.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.