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Information card for entry 4100290
Preview
Coordinates | 4100290.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H64 Cl16 O19 Sb2 V6 |
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Calculated formula | C26 H64 Cl16 O19 Sb2 V6 |
SMILES | O=[V]1234[O]([V]567(=O)[O]([V]89(=O)([O]1CC)[O]([V]1%10(=O)([O]([V]%11(=O)([O]([V](=O)([O]1CC)([O]8CC)([O]3CC)[O]479%10%11)CC)([O]2CC)[O]5CC)CC)[O]6CC)CC)CC)CC.C(Cl)Cl.[Cl-][Sb](Cl)(Cl)(Cl)(Cl)Cl.C(Cl)Cl.[Cl-][Sb](Cl)(Cl)(Cl)(Cl)Cl |
Title of publication | Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core |
Authors of publication | Daniel, Charles; Hartl, Hans |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2005 |
Journal volume | 127 |
Journal issue | 40 |
Pages of publication | 13978 - 13987 |
a | 11.1503 ± 0.0019 Å |
b | 11.584 ± 0.002 Å |
c | 12.829 ± 0.002 Å |
α | 109.445 ± 0.003° |
β | 102.351 ± 0.004° |
γ | 93.771 ± 0.004° |
Cell volume | 1509.3 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
219223 (current) | 2019-10-09 | cif/4/10/02/ Updated bibliographic information in entries 4100287-4100292. |
4100290.cif |
130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
4100290.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4100290.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. |
4100290.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/' |
4100290.cif |
14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4100290.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. |
4100290.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) |
4100290.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.