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Information card for entry 4101751
Preview
Coordinates | 4101751.cif |
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Original paper (by DOI) | HTML |
Formula | C51 H87 B Cl Fe P3 |
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Calculated formula | C51 H87 B Cl Fe P3 |
SMILES | [Fe]12(Cl)[P](C[B](c3ccccc3)(C[P]1(CC1CCCCC1)CC1CCCCC1)C[P]2(CC1CCCCC1)CC1CCCCC1)(CC1CCCCC1)CC1CCCCC1 |
Title of publication | Fe(I)-mediated reductive cleavage and coupling of CO(2): an Fe(II)(mu-O, mu-CO)Fe(II) core. |
Authors of publication | Lu, Connie C.; Saouma, Caroline T.; Day, Michael W.; Peters, Jonas C. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Journal issue | 1 |
Pages of publication | 4 - 5 |
a | 11.2119 ± 0.0004 Å |
b | 37.5185 ± 0.0013 Å |
c | 13.2026 ± 0.0005 Å |
α | 90° |
β | 112.318 ± 0.001° |
γ | 90° |
Cell volume | 5137.7 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1442 |
Residual factor for significantly intense reflections | 0.0694 |
Weighted residual factors for significantly intense reflections | 0.1094 |
Weighted residual factors for all reflections included in the refinement | 0.1187 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.387 |
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/4101751.html
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