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Information card for entry 4324476
Preview
Coordinates | 4324476.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Fe4(NPh)4(SMes)4 |
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Formula | C69 H73 Fe4 N4 S4 |
Calculated formula | C69 H73 Fe4 N4 S4 |
SMILES | [Fe]12345([Fe]6789([Fe]%10%111([Fe]26(Sc1c(cc(cc1C)C)C)([N]37c1ccccc1)([N]5%10c1ccccc1)[N]9%11c1ccccc1)(Sc1c(cc(cc1C)C)C)[N]48c1ccccc1)Sc1c(cc(cc1C)C)C)Sc1c(cc(cc1C)C)C.c1ccccc1.c1ccccc1 |
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 | 15.2729 ± 0.0007 Å |
b | 18.6174 ± 0.0007 Å |
c | 23.6395 ± 0.001 Å |
α | 105.992 ± 0.002° |
β | 96.73 ± 0.002° |
γ | 93.088 ± 0.002° |
Cell volume | 6390.9 ± 0.5 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1316 |
Residual factor for significantly intense reflections | 0.0591 |
Weighted residual factors for all reflections | 0.1168 |
Weighted residual factors for significantly intense reflections | 0.0927 |
Goodness-of-fit parameter for all reflections | 1.022 |
Goodness-of-fit parameter for significantly intense reflections | 1.105 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4324476.html
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Users of the data should acknowledge the original authors of the
structural data.