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Information card for entry 7001084
Preview
Coordinates | 7001084.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H48 Fe4 N16 O10 |
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Calculated formula | C22 H48 Fe4 N16 O10 |
SMILES | C1[O]2[Fe]3456OCCN7CC[N]3(C1)CC[O]14[Fe]3489%10[N]%11(CC[N]3(CC[O]9[Fe]2(N=N#N)(N=N#N)([OH]C)[O]58CC%11)CCO%10)CC[O]4[Fe]1(N=N#N)(N=N#N)([O]6CC7)[OH]C |
Title of publication | High-spin tetranuclear MnII2MnIV2 clusters with unique Mn(ii)‒Mn(iv) magnetic exchange: synthesis, structures and magnetism |
Authors of publication | Zhou, Ai-Ju; Liu, Jun-Liang; Herchel, Radovan; Leng, Ji-Dong; Tong, Ming-Liang |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 17 |
Pages of publication | 3182 - 3192 |
a | 11.971 ± 0.001 Å |
b | 10.8998 ± 0.0009 Å |
c | 14.0946 ± 0.0012 Å |
α | 90° |
β | 103.734 ± 0.001° |
γ | 90° |
Cell volume | 1786.5 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.049 |
Residual factor for significantly intense reflections | 0.0412 |
Weighted residual factors for significantly intense reflections | 0.1037 |
Weighted residual factors for all reflections included in the refinement | 0.1091 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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