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Information card for entry 1543443
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Coordinates | 1543443.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | spider-14106 |
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Formula | C71 H95 Fe3 N8 |
Calculated formula | C71 H95 Fe3 N8 |
SMILES | N1([Fe]23([NH2][Fe]413[N](=C(C)C(=C(N4c1c(cccc1C)C)C)C)c1c(cccc1C)C)N(C(=C(C(=[N]2c1c(cccc1C)C)C)C)C)c1c(cccc1C)C)[Fe]1N(C(=C(C(=[N]1c1c(cccc1C)C)C)C)C)c1c(cccc1C)C.CCCCC |
Title of publication | Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia |
Authors of publication | MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L. |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 9 |
Pages of publication | 5736 |
a | 26.1506 ± 0.0018 Å |
b | 12.4838 ± 0.0002 Å |
c | 39.818 ± 0.004 Å |
α | 90° |
β | 90.725 ± 0.009° |
γ | 90° |
Cell volume | 12997.9 ± 1.6 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0675 |
Residual factor for significantly intense reflections | 0.0483 |
Weighted residual factors for significantly intense reflections | 0.1121 |
Weighted residual factors for all reflections included in the refinement | 0.1216 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.71075 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/1543443.html
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