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Information card for entry 7230205
Preview
Coordinates | 7230205.cif |
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Original paper (by DOI) | HTML |
Chemical name | Dicarbonyl-(h5-cyclopentadienyl)-telleurophenyl-iron 1,2,4,5-tetrafluoro-3,6-diiodobenzene |
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Formula | C16 H10 F2 Fe I O2 Te |
Calculated formula | C16 H10 F2 Fe I O2 Te |
Title of publication | Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band |
Authors of publication | Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 16 |
Pages of publication | 2258 |
a | 13.528 ± 0.0004 Å |
b | 11.6432 ± 0.0004 Å |
c | 11.7133 ± 0.0004 Å |
α | 90° |
β | 114.974° |
γ | 90° |
Cell volume | 1672.45 ± 0.09 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0212 |
Residual factor for significantly intense reflections | 0.0183 |
Weighted residual factors for significantly intense reflections | 0.0419 |
Weighted residual factors for all reflections included in the refinement | 0.0431 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0103 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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