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Information card for entry 4334197
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Coordinates | 4334197.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Fe(OR)3THF |
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Formula | C34 H71 Fe O4 |
Calculated formula | C34 H71 Fe O4 |
SMILES | [Fe](OC(C(C)(C)C)(C)C(C)(C)C)(OC(C)(C(C)(C)C)C(C)(C)C)(OC(C)(C(C)(C)C)C(C)(C)C)[O]1CCCC1 |
Title of publication | Iron in a Trigonal Tris(alkoxide) Ligand Environment |
Authors of publication | Matthew B. Chambers; Stanislav Groysman; Dino Villagrán; Daniel G. Nocera |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 3159 - 3169 |
a | 11.5261 ± 0.0008 Å |
b | 17.3834 ± 0.0013 Å |
c | 19.9118 ± 0.0015 Å |
α | 65.01 ± 0.001° |
β | 84.451 ± 0.001° |
γ | 77.465 ± 0.001° |
Cell volume | 3529.8 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.071 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.1173 |
Weighted residual factors for all reflections included in the refinement | 0.1328 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4334197.html
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