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Information card for entry 1543384
Preview
Coordinates | 1543384.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | B2Pz4Py |
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Formula | C58 H52 B4 Li2 N18 |
Calculated formula | C58 H52 B4 Li2 N18 |
SMILES | [nH+]1c2cccc1[B]1(n3[n](ccc3)[Li]3([n]4n1ccc4)[n]1n(ccc1)[B](n1[n]3ccc1)(c1[nH+]c(ccc1)[B]1(n3[n](ccc3)[Li]3([n]4n(ccc4)[B]2(n2[n]3ccc2)c2ccccc2)[n]2n1ccc2)c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand |
Authors of publication | Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent |
Journal of publication | Chemical Science |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 9 |
Pages of publication | 5939 - 5944 |
a | 18.1814 ± 0.0016 Å |
b | 21.881 ± 0.003 Å |
c | 16.8907 ± 0.0014 Å |
α | 90° |
β | 102.199 ± 0.006° |
γ | 90° |
Cell volume | 6567.8 ± 1.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0722 |
Residual factor for significantly intense reflections | 0.0513 |
Weighted residual factors for significantly intense reflections | 0.1341 |
Weighted residual factors for all reflections included in the refinement | 0.1453 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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