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Information card for entry 4100287
Preview
Coordinates | 4100287.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H60 O19 V6 |
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Calculated formula | C24 H60 O19 V6 |
SMILES | O=[V]1234[O]([V]567(=O)[O]([V]89%10(=O)[O]([V]%11(=O)([O]1CC)([O]5CC)[O]([V]1(=O)([O]2CC)([O]8CC)[O]([V](=O)([O]3CC)([O]9CC)([O]6CC)[O]47%10%111)CC)CC)CC)CC)CC |
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 | 10.338 ± 0.004 Å |
b | 17.76 ± 0.008 Å |
c | 11.002 ± 0.005 Å |
α | 90° |
β | 106.408 ± 0.008° |
γ | 90° |
Cell volume | 1937.7 ± 1.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
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. |
4100287.cif |
201210 | 2017-09-25 | cif/ Moving the _symmetry_cell_setting data item out of the loop in entries 1513161, 2100005, 2100006, 2202914, 4100109, 4100110, 4100111, 4100242, 4100265, 4100289, 4100287, 4100288, 4100590, 4334471, 7105136. |
4100287.cif |
178748 | 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 4/10/02. |
4100287.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4100287.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. |
4100287.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. |
4100287.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/' |
4100287.cif |
14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4100287.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. |
4100287.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) |
4100287.cif |
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Users of the data should acknowledge the original authors of the
structural data.