Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4071454
Preview
| Coordinates | 4071454.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Catena-(tetrakis(mu2-trifluoroacetateo-O,O') -di(bismuth(II,II))-pyrene) |
|---|---|
| Formula | C24 H10 Bi2 F12 O8 |
| Calculated formula | C24 H10 Bi2 F12 O8 |
| Title of publication | Metal-Site-Controlled Arene Coordination in a Heterobimetallic Bi−Rh Complex with Pyrene |
| Authors of publication | Dikarev, Evgeny V.; Li, Bo; Rogachev, Andrey Yu.; Zhang, Haitao; Petrukhina, Marina A. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 15 |
| Pages of publication | 3728 |
| a | 8.2529 ± 0.001 Å |
| b | 9.3214 ± 0.0011 Å |
| c | 9.8706 ± 0.0012 Å |
| α | 91.121 ± 0.002° |
| β | 110.04 ± 0.002° |
| γ | 100.932 ± 0.002° |
| Cell volume | 697.46 ± 0.15 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 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 | 0.029 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0668 |
| Weighted residual factors for all reflections included in the refinement | 0.0681 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178603 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/14. |
4071454.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4071454.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071454.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071454.cif |
| 43852 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071453, 4071454 via cif-deposit CGI script. |
4071454.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.