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Information card for entry 4313590
Preview
Coordinates | 4313590.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H98 Fe2 N4 S4 |
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Calculated formula | C62 H98 Fe2 N4 S4 |
Title of publication | Molecular and Electronic Structures of Iron(II)/(III) Complexes Containing N,S-Coordinated, Closed-Shello-Aminothiophenolato(1-) and o-Iminothiophenolato(2-) Ligands |
Authors of publication | Prasanta Ghosh; Ameerunisha Begum; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 3208 - 3215 |
a | 10.539 ± 0.005 Å |
b | 11.343 ± 0.005 Å |
c | 14.532 ± 0.006 Å |
α | 103.94 ± 0.02° |
β | 101.98 ± 0.02° |
γ | 99.29 ± 0.02° |
Cell volume | 1607.9 ± 1.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1272 |
Residual factor for significantly intense reflections | 0.0757 |
Weighted residual factors for all reflections | 0.2364 |
Weighted residual factors for significantly intense reflections | 0.1897 |
Goodness-of-fit parameter for all reflections | 1.039 |
Goodness-of-fit parameter for significantly intense reflections | 1.185 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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