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Information card for entry 4312832
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Coordinates | 4312832.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Fe2(O2CArTol)4(BA)2] |
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Formula | C98 H86 Fe2 N2 O8 |
Calculated formula | C98 H86 Fe2 N2 O8 |
SMILES | C(c1ccccc1)[NH2][Fe]123[O]=C(c4c(cccc4c4ccc(cc4)C)c4ccc(cc4)C)O[Fe]([NH2]Cc4ccccc4)([O]=C(c4c(cccc4c4ccc(cc4)C)c4ccc(cc4)C)O1)(OC(c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C)=[O]2)[O]=C(c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C)O3 |
Title of publication | Synthesis, Characterization, and Dioxygen Reactivity of Tetracarboxylate-Bridged Diiron(II) Complexes with Coordinated Substrates |
Authors of publication | Sungho Yoon; Stephen J. Lippard |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 8606 - 8608 |
a | 14.6583 ± 0.0018 Å |
b | 19.801 ± 0.003 Å |
c | 27.365 ± 0.004 Å |
α | 90° |
β | 91.968 ± 0.002° |
γ | 90° |
Cell volume | 7938 ± 1.9 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1233 |
Residual factor for significantly intense reflections | 0.0538 |
Weighted residual factors for significantly intense reflections | 0.1031 |
Weighted residual factors for all reflections included in the refinement | 0.1324 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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