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Information card for entry 7030278
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Coordinates | 7030278.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | bis(2,2'-bipyridine-N,N')tetrafluorozirconium(IV) |
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Formula | C20 H16 F4 N4 Zr |
Calculated formula | C20 H16 F4 N4 Zr |
SMILES | [Zr]12(F)(F)(F)(F)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1 |
Title of publication | Preparation and structures of coordination complexes of the very hard Lewis acids ZrF4 and HfF4. |
Authors of publication | Benjamin, Sophie L.; Levason, William; Pugh, David; Reid, Gillian; Zhang, Wenjian |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 40 |
Pages of publication | 12548 - 12557 |
a | 12.991 ± 0.004 Å |
b | 13.134 ± 0.004 Å |
c | 11.714 ± 0.004 Å |
α | 90° |
β | 100.919 ± 0.007° |
γ | 90° |
Cell volume | 1962.5 ± 1.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.042 |
Residual factor for significantly intense reflections | 0.0384 |
Weighted residual factors for significantly intense reflections | 0.0951 |
Weighted residual factors for all reflections included in the refinement | 0.0983 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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