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Information card for entry 4313593
Preview
Coordinates | 4313593.cif |
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Original paper (by DOI) | HTML |
Formula | C53 H65 Fe N2 O3 P S2 |
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Calculated formula | C53 H65 Fe N2 O3 P S2 |
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 | 28.436 ± 0.002 Å |
b | 17.4172 ± 0.0009 Å |
c | 9.9671 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4936.5 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 41 |
Hermann-Mauguin space group symbol | A b a 2 |
Hall space group symbol | A 2 -2ab |
Residual factor for all reflections | 0.0751 |
Residual factor for significantly intense reflections | 0.0516 |
Weighted residual factors for all reflections | 0.103 |
Weighted residual factors for significantly intense reflections | 0.0936 |
Goodness-of-fit parameter for all reflections | 1.048 |
Goodness-of-fit parameter for significantly intense reflections | 1.076 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4313593.html
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