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Information card for entry 4324478
Preview
Coordinates | 4324478.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Fe4(N-p-Tol)4(SMes)4, monoclinic form |
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Formula | C64 H72 Fe4 N4 S4 |
Calculated formula | C64 H72 Fe4 N4 S4 |
SMILES | [Fe]12345([Fe]6789([Fe]%10%111([Fe]26(Sc1c(cc(cc1C)C)C)([N]37c1ccc(cc1)C)([N]9%10c1ccc(cc1)C)[N]5%11c1ccc(cc1)C)(Sc1c(cc(cc1C)C)C)[N]48c1ccc(cc1)C)Sc1c(cc(cc1C)C)C)Sc1c(cc(cc1C)C)C |
Title of publication | Iron-Mediated Hydrazine Reduction and the Formation of Iron-Arylimide Heterocubanes |
Authors of publication | Michael J. Zdilla; Atul K. Verma; Sonny C. Lee |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 1551 - 1562 |
a | 20.7971 ± 0.0005 Å |
b | 11.4905 ± 0.0003 Å |
c | 24.962 ± 0.0006 Å |
α | 90° |
β | 91.5564 ± 0.0011° |
γ | 90° |
Cell volume | 5962.9 ± 0.3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0938 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for significantly intense reflections | 0.0946 |
Weighted residual factors for all reflections included in the refinement | 0.108 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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