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Information card for entry 4069329
Preview
Coordinates | 4069329.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H40 Cl2 Fe4 N6 O12 S4 |
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Calculated formula | C66 H40 Cl2 Fe4 N6 O12 S4 |
Title of publication | Synthesis, Structure, and Photoinduced Catalysis of [FeFe]-Hydrogenase Active Site Models Covalently Linked to a Porphyrin or Metalloporphyrin Moiety† |
Authors of publication | Song, Li-Cheng; Wang, Liang-Xing; Tang, Ming-Yi; Li, Chang-Gong; Song, Hai-Bin; Hu, Qing-Mei |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 13 |
Pages of publication | 3834 |
a | 12.306 ± 0.008 Å |
b | 16.377 ± 0.01 Å |
c | 18.815 ± 0.011 Å |
α | 106.47 ± 0.005° |
β | 100.242 ± 0.009° |
γ | 105.804 ± 0.009° |
Cell volume | 3363 ± 4 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1112 |
Residual factor for significantly intense reflections | 0.0753 |
Weighted residual factors for significantly intense reflections | 0.1872 |
Weighted residual factors for all reflections included in the refinement | 0.2137 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
Diffraction radiation wavelength | 0.7107 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/4069329.html
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