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Information card for entry 1559904
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Coordinates | 1559904.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (μ-dihydrogen phosphinato)-(μ-methyl phosphito)-tetrakis(6-(2-pyridyl) -1,3,5-triazine-2,4-diamine)-di-iron dinitrate methanol solvate |
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Formula | C36.25 H50 Fe2 N26 O14.25 P2 |
Calculated formula | C36.25 H50 Fe2 N26 O14.25 P2 |
Title of publication | Design of a [FeFe] macrocyclic metallotecton for light-driven hydrogen evolution reaction |
Authors of publication | Rajak, Sanil; Schott, Olivier; Kaur, Prabhjyot; Maris, Thierry; Hanan, Garry S.; Duong, Adam |
Journal of publication | International Journal Of Hydrogen Energy |
Year of publication | 2020 |
Journal volume | 45 |
Pages of publication | 2699 - 2708 |
a | 10.6206 ± 0.0003 Å |
b | 14.3962 ± 0.0004 Å |
c | 19.5412 ± 0.0006 Å |
α | 90° |
β | 100.687 ± 0.001° |
γ | 90° |
Cell volume | 2935.95 ± 0.15 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0603 |
Residual factor for significantly intense reflections | 0.0564 |
Weighted residual factors for significantly intense reflections | 0.1691 |
Weighted residual factors for all reflections included in the refinement | 0.1739 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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