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Information card for entry 7029946
Preview
Coordinates | 7029946.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H40 F2 O8 Ta2 |
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Calculated formula | C48 H40 F2 O8 Ta2 |
SMILES | c1(ccccc1)[O]1[Ta](Oc2ccccc2)(F)([O](c2ccccc2)[Ta]1(F)(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1 |
Title of publication | Convenient synthesis of fluoride-alkoxides of Nb(V) and Ta(V): a spectroscopic, crystallographic and computational study. |
Authors of publication | Bortoluzzi, Marco; Guazzelli, Nicola; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 41 |
Pages of publication | 12898 - 12906 |
a | 9.94 ± 0.004 Å |
b | 10.003 ± 0.004 Å |
c | 12.384 ± 0.005 Å |
α | 68.033 ± 0.004° |
β | 86.135 ± 0.004° |
γ | 68.477 ± 0.004° |
Cell volume | 1058.8 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0703 |
Residual factor for significantly intense reflections | 0.0536 |
Weighted residual factors for significantly intense reflections | 0.1257 |
Weighted residual factors for all reflections included in the refinement | 0.1354 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180005 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/99. |
7029946.cif |
111035 | 2014-04-20 | cif/ Adding structures of 7029945, 7029946 via cif-deposit CGI script. |
7029946.cif |
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Users of the data should acknowledge the original authors of the
structural data.