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Information card for entry 4300026
Preview
| Coordinates | 4300026.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C92 H16 Bi9 F65 O20 |
|---|---|
| Calculated formula | C92 H16 Bi9 F65 O20 |
| SMILES | [Bi]1234([Bi]56789%10([Bi]%11%12%13%14%15%16[Bi]%17%185([O]19%14)([O]%15[Bi]159%14%11[Bi]([O]%131[Bi]1%11%13%15%19([Bi]%20([O]8%11[Bi]61([O]%10%17)([O]5%13)([O]%20c1c(c(c(c(c1F)F)F)F)F)[O]%18c1c(c(c(c(c1F)F)F)F)F)(Oc1c(c(c(c(c1F)F)F)F)F)([O]%15c1c(c(c(c(c1F)F)F)F)F)[O]%19c1c(c(c(c(c1F)F)F)F)F)[O]7%12)([O]%16c1c(c(c(c(c1F)F)F)F)F)([O]9c1c(c(c(c(c1F)F)F)F)F)([O]%14c1c(c(c(c(c1F)F)F)F)F)Oc1c(c(c(c(c1F)F)F)F)F)[O]2c1c(c(c(c(c1F)F)F)F)F)([O]3c1c(c(c(c(c1F)F)F)F)F)[O]4c1c(c(c(c(c1F)F)F)F)F)Oc1c(c(c(c(c1F)F)F)F)F.c1(ccccc1)C.c1(ccccc1)C |
| 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 | 14.123 ± 0.003 Å |
| b | 14.578 ± 0.003 Å |
| c | 29.487 ± 0.006 Å |
| α | 86.04 ± 0.03° |
| β | 81.79 ± 0.03° |
| γ | 61.98 ± 0.03° |
| Cell volume | 5304 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 193 ± 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 | 0.1382 |
| Residual factor for significantly intense reflections | 0.0764 |
| Weighted residual factors for significantly intense reflections | 0.2161 |
| Weighted residual factors for all reflections included in the refinement | 0.2854 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 120081 (current) | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4300026.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4300026.cif |
| 19534 | 2011-05-17 | cif/4 Modifying files from Issue 1 of Inorg. Chem. 2000 SQL data also updated. |
4300026.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. |
4300026.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/' |
4300026.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4300026.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. |
4300026.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) |
4300026.cif |
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Users of the data should acknowledge the original authors of the
structural data.