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Information card for entry 4122081
Preview
Coordinates | 4122081.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H62 Fe2 N4 O2 P4 S4 |
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Calculated formula | C72 H62 Fe2 N4 O2 P4 S4 |
Title of publication | Iron(III) Bound by Hydrosulfide Anion Ligands: NO-Promoted Stabilization of the [Fe(III)-SH] Motif. |
Authors of publication | Tsou, Chih-Chin; Chiu, Wei-Chun; Ke, Chun-Hung; Tsai, Jia-Chun; Wang, Yun-Ming; Chiang, Ming-Hsi; Liaw, Wen-Feng |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 26 |
Pages of publication | 9424 - 9433 |
a | 21.6622 ± 0.0006 Å |
b | 13.1205 ± 0.0004 Å |
c | 23.844 ± 0.0007 Å |
α | 90° |
β | 103.024 ± 0.001° |
γ | 90° |
Cell volume | 6602.6 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0476 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0856 |
Weighted residual factors for all reflections included in the refinement | 0.0928 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
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/4122081.html
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