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Information card for entry 7027373
Preview
Coordinates | 7027373.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H37 Cl5 Fe2 N10 O3 |
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Calculated formula | C35 H37 Cl5 Fe2 N10 O3 |
SMILES | [Fe]123(Cl)(Cl)[O]4[Fe]56(Cl)(Cl)[n]7c([nH]c8c7cccc8)C[N]6(Cc6[n]5c5ccccc5[nH]6)CC4C[N]3(Cc3[n]1c1ccccc1[nH]3)Cc1[n]2c2ccccc2[nH]1.[Cl-].O.O |
Title of publication | Using pseudohalides (NCS−, N3−) as a probe for the active site of (μ-alkoxo)diiron(III) complexes and to reveal a novel asymmetrical structure |
Authors of publication | Horng, Den-Nan; Lee, Kwang-Ming |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 13 |
Pages of publication | 2205 |
a | 22.365 ± 0.003 Å |
b | 13.812 ± 0.002 Å |
c | 28.778 ± 0.004 Å |
α | 90° |
β | 105.053 ± 0.011° |
γ | 90° |
Cell volume | 8585 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1923 |
Residual factor for significantly intense reflections | 0.0744 |
Weighted residual factors for all reflections | 0.2347 |
Weighted residual factors for significantly intense reflections | 0.199 |
Goodness-of-fit parameter for all reflections | 1.089 |
Goodness-of-fit parameter for significantly intense reflections | 1.596 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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