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Information card for entry 1512832
Preview
Coordinates | 1512832.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H22 F6 O9 S2 V |
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Calculated formula | C16 H22 F6 O9 S2 V |
SMILES | C1CCCO1.[OH2][V]12345678([OH2])([cH]9[cH]7[cH]4[cH]1[cH]89)[cH]1[cH]5[cH]3[cH]2[cH]61.[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F |
Title of publication | Bis(aqua)bis(eta5-cyclopentadienyl)vanadium(IV) bis(trifluoromethanesulfonate) tetrahydrofuran solvate: Synthesis and characterization |
Authors of publication | Theocharis C. Stamatatos; Spyros P. Perlepes; Catherine P. Raptopoulou; Aris Terzis; Nikolaos Klouras |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2013 |
Journal volume | 394 |
Pages of publication | 747 - 751 |
a | 8.1577 ± 0.0001 Å |
b | 21.0261 ± 0.0003 Å |
c | 13.4999 ± 0.0002 Å |
α | 90° |
β | 90.936 ± 0.001° |
γ | 90° |
Cell volume | 2315.26 ± 0.06 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 ± 2 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 all reflections | 0.043 |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for significantly intense reflections | 0.1016 |
Weighted residual factors for all reflections included in the refinement | 0.1044 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1512832.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1512832.cif |
90979 | 2013-11-22 | cif/ Adding structures of 1512832 via cif-deposit CGI script. |
1512832.cif |
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Users of the data should acknowledge the original authors of the
structural data.