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Information card for entry 2021473
Preview
Coordinates | 2021473.cif |
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Structure factors | 2021473.hkl |
Original IUCr paper | HTML |
Chemical name | <i>cis</i>-Dichlorido(2-ethoxy-6-{(<i>E</i>)-[(2-oxidophenyl)imino]methyl}phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')(η^5^-pentamethylcyclopentadienyl)tantalum(V) |
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Formula | C25 H28 Cl2 N O3 Ta |
Calculated formula | C25 H28 Cl2 N O3 Ta |
SMILES | [Ta]123456(Cl)(Cl)(Oc7c(OCC)cccc7C=[N]2c2c(O1)cccc2)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C |
Title of publication | A half-sandwich TaV dichlorido complex containing an O,N,O′-tridentate Schiff base ligand: synthesis, crystal structure and in vitro cytotoxicity |
Authors of publication | Trávníček, Zdeněk; Štarha, Pavel; Čajan, Michal; Dvořák, Zdeněk |
Journal of publication | Acta Crystallographica Section C Structural Chemistry |
Year of publication | 2019 |
Journal volume | 75 |
Journal issue | 3 |
a | 8.33 ± 0.002 Å |
b | 11.557 ± 0.003 Å |
c | 12.426 ± 0.003 Å |
α | 84.484 ± 0.017° |
β | 86.07 ± 0.011° |
γ | 86.04 ± 0.011° |
Cell volume | 1185.6 ± 0.5 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0197 |
Residual factor for significantly intense reflections | 0.0171 |
Weighted residual factors for significantly intense reflections | 0.041 |
Weighted residual factors for all reflections included in the refinement | 0.0419 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
213604 (current) | 2019-02-12 | cif/ hkl/ Adding structures of 2021473 via cif-deposit CGI script. |
2021473.cif 2021473.hkl |
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Users of the data should acknowledge the original authors of the
structural data.