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Information card for entry 7029571
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Coordinates | 7029571.cif |
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Original paper (by DOI) | HTML |
Chemical name | Bis[2,6-bis(5-tertbutyl-1H-pyrazol-3-yl)pyridine]iron(II) ditetrafluoroborate 2,2,2-trifluoroethanol di-isopropyl ether solvate |
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Formula | C41.55 H57.08 B2 F10.18 Fe N10 O1.08 |
Calculated formula | C41.55 H57.075 B2 F10.175 Fe N10 O1.075 |
Title of publication | Iron(ii) complexes of 2,6-di(1H-pyrazol-3-yl)-pyridine derivatives with hydrogen bonding and sterically bulky substituents. |
Authors of publication | Roberts, Thomas D.; Little, Marc A.; Kershaw Cook, Laurence J.; Halcrow, Malcolm A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 20 |
Pages of publication | 7577 - 7588 |
a | 17.588 ± 0.002 Å |
b | 19.509 ± 0.002 Å |
c | 32.399 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 11117 ± 2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0871 |
Residual factor for significantly intense reflections | 0.0645 |
Weighted residual factors for significantly intense reflections | 0.1768 |
Weighted residual factors for all reflections included in the refinement | 0.1932 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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