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Information card for entry 4101755
Preview
Coordinates | 4101755.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C103 H178 B2 Fe2 O2 P6 |
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Calculated formula | C103 H178 B2 Fe2 O2 P6 |
SMILES | [Fe]1234([Fe]56([P](C[B](c7ccccc7)(C[P]5(CC5CCCCC5)CC5CCCCC5)C[P]6(CC5CCCCC5)CC5CCCCC5)(CC5CCCCC5)CC5CCCCC5)(O3)C4=O)[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 | 16.834 ± 0.008 Å |
b | 25.105 ± 0.011 Å |
c | 28.444 ± 0.013 Å |
α | 73.111 ± 0.011° |
β | 78.703 ± 0.015° |
γ | 84.399 ± 0.012° |
Cell volume | 11269 ± 9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.3696 |
Residual factor for significantly intense reflections | 0.1564 |
Weighted residual factors for significantly intense reflections | 0.1961 |
Weighted residual factors for all reflections included in the refinement | 0.209 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.481 |
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/4101755.html
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