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Information card for entry 7030774
Preview
Coordinates | 7030774.cif |
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Original paper (by DOI) | HTML |
Formula | C48 H58 Fe2 N6 O6 |
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Calculated formula | C48 H58 Fe2 N6 O6 |
SMILES | c12ccccc1C[NH]1CC3(C)c4cccc[n]4[Fe]451(O2)[NH](C3)Cc1ccccc1[O]4[Fe]1234[NH](Cc6c(cccc6)O1)CC(C)(c1cccc[n]21)C[NH]3Cc1ccccc1[O]54.CO.CO |
Title of publication | Redox and acid-base properties of asymmetric non-heme (hydr)oxo-bridged diiron complexes. |
Authors of publication | Jozwiuk, Anna; Ingram, Audrey L.; Powell, Douglas R.; Moubaraki, Boujemaa; Chilton, Nicholas F.; Murray, Keith S.; Houser, Robert P. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 25 |
Pages of publication | 9740 - 9753 |
a | 12.864 ± 0.0018 Å |
b | 13.4112 ± 0.0019 Å |
c | 13.0923 ± 0.0019 Å |
α | 90° |
β | 103.606 ± 0.003° |
γ | 90° |
Cell volume | 2195.3 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0832 |
Residual factor for significantly intense reflections | 0.0504 |
Weighted residual factors for significantly intense reflections | 0.0986 |
Weighted residual factors for all reflections included in the refinement | 0.1103 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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