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Information card for entry 7709640
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Coordinates | 7709640.cif |
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Original paper (by DOI) | HTML |
Chemical name | [2,6-Bis((R)-4-phenyl-4,5-dihydrothiazol-2-yl)pyridine]- [2,6-Bis((S)-4-phenyl-4,5-dihydroxazol-2-yl)pyridine]iron(II) diperchlorate nitromethane solvate |
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Formula | C47 H41 Cl2 Fe N7 O12 S2 |
Calculated formula | C47 H41 Cl2 Fe N7 O12 S2 |
Title of publication | Heteroleptic iron(ii) complexes of chiral 2,6-bis(oxazolin-2-yl)-pyridine (PyBox) and 2,6-bis(thiazolin-2-yl)pyridine ligands – the interplay of two different ligands on the metal ion spin sate |
Authors of publication | Shahid, Namrah; Burrows, Kay E.; Pask, Christopher M.; Cespedes, Oscar; Howard, Mark J.; McGowan, Patrick C.; Halcrow, Malcolm A. |
Journal of publication | Dalton Transactions |
Year of publication | 2022 |
a | 11.9689 ± 0.0002 Å |
b | 12.0094 ± 0.0001 Å |
c | 16.2339 ± 0.0002 Å |
α | 90° |
β | 94.775 ± 0.001° |
γ | 90° |
Cell volume | 2325.35 ± 0.05 Å3 |
Cell temperature | 125 ± 0.1 K |
Ambient diffraction temperature | 125 ± 0.1 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.038 |
Residual factor for significantly intense reflections | 0.0359 |
Weighted residual factors for significantly intense reflections | 0.0901 |
Weighted residual factors for all reflections included in the refinement | 0.092 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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