Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4300028
Preview
| Coordinates | 4300028.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H16 Bi4 F45 Na O13 |
|---|---|
| Calculated formula | C68 H16 Bi4 F50 Na2 O14 |
| Title of publication | Oligomerization and Oxide Formation in Bismuth Aryl Alkoxides: Synthesis and Characterization of Bi4(μ4-O)(μ-OC6F5)6{μ3-OBi(μ-OC6F5)3}2(C6H5CH3), Bi8(μ4-O)2(μ3-O)2(μ-OC6F5)16, Bi6(μ3-O)4(μ3-OC6F5){μ3-OBi(OC6F5)4}3, NaBi4(μ3-O)2(OC6F5)9(THF)2, and Na2Bi4(μ3-O)2(OC6F5)10(THF)2 |
| Authors of publication | Kenton H. Whitmire; Silke Hoppe; Orson Sydora; Jennifer L. Jolas; Carolyn M. Jones |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 85 - 97 |
| a | 12.008 ± 0.005 Å |
| b | 23.36 ± 0.01 Å |
| c | 13.816 ± 0.005 Å |
| α | 90° |
| β | 92.71 ± 0.03° |
| γ | 90° |
| Cell volume | 3871 ± 3 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.067 |
| Weighted residual factors for significantly intense reflections | 0.069 |
| Goodness-of-fit parameter for significantly intense reflections | 1.94 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179038 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/00. |
4300028.cif |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
4300028.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4300028.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4300028.cif |
| 19534 | 2011-05-17 | cif/4 Modifying files from Issue 1 of Inorg. Chem. 2000 SQL data also updated. |
4300028.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4300028.cif |
| 947 | 2010-01-19 | cif/4 Fixing the _atom_site_refinement_flags and _atom_site_calc_flag values for riding hydrogens (exchanging value columns for these atoms). |
4300028.cif |
| 946 | 2010-01-19 | cif/4/ Exchanging the _atom_site_refinement_flags and the _atom_site_calc_flag tags in the atomic coordinate loop so that ar least the _atom_site_calc_flag corresponds to the value that it should have according to the dictionary. The _atom_site_refinement_flags now gets incorrect value, mostly "1". The meaning of the "1" is unclear. |
4300028.cif |
| 945 | 2010-01-19 | cif/4/ Removing unnecessary unit designator "K" from temperatire value in the 4/4300028.cif antry. |
4300028.cif |
| 944 | 2010-01-19 | cif/4/ Removing extra data columns containing '.' values from the atomic coordinate loop, so that now at least atom site labels and atomic coordinates are in place. |
4300028.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
4300028.cif |
| 302 | 2008-03-25 | Correcting number syntax in cell constants and in some other places for the 2001144.cif, 4300028.cif, 7051048.cif, and 8101335.cif. |
4300028.cif |
| 131 | 2008-02-21 | 20 files corrected. |
4300028.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4300028.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4300028.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4300028.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4300028.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.