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Information card for entry 7126211
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Coordinates | 7126211.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H126 Fe9 N6 O6 |
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Calculated formula | C48 H114 Fe9 N6 O6 |
Title of publication | Self-assembly of an organometallic Fe<sub>9</sub>O<sub>6</sub> cluster from aerobic oxidation of (tmeda)Fe(CH<sub>2</sub><sup>t</sup>Bu)<sub>2</sub>. |
Authors of publication | Kephart, Jonathan A.; Hecht, Zachary; Livesay, Brooke N.; Bhowmick, Indrani; Shores, Matthew P.; Popescu, V. Codrina; Arulsamy, Navamoney; Hulley, Elliott B. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2020 |
Journal volume | 56 |
Journal issue | 37 |
Pages of publication | 4994 - 4997 |
a | 16.9429 ± 0.0013 Å |
b | 16.9429 ± 0.0013 Å |
c | 23.233 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 5775.8 ± 0.8 Å3 |
Cell temperature | 116 ± 2 K |
Ambient diffraction temperature | 116 ± 2 K |
Number of distinct elements | 5 |
Space group number | 155 |
Hermann-Mauguin space group symbol | R 3 2 :H |
Hall space group symbol | R 3 2" |
Residual factor for all reflections | 0.0403 |
Residual factor for significantly intense reflections | 0.0274 |
Weighted residual factors for significantly intense reflections | 0.0483 |
Weighted residual factors for all reflections included in the refinement | 0.0519 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
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/7126211.html
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