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Information card for entry 7037398
Preview
Coordinates | 7037398.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H31 Co N O P2 S2 |
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Calculated formula | C34 H31 Co N O P2 S2 |
SMILES | C(#[O])[Co]12([P](c3ccccc3)(c3ccccc3)N(C(C)C)[P]1(c1ccccc1)c1ccccc1)Sc1ccccc1S2 |
Title of publication | Highly functionalizable penta-coordinate iron hydrogen production catalysts with low overpotentials. |
Authors of publication | Eady, Shawn C.; Breault, Tanya; Thompson, Levi; Lehnert, Nicolai |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 3 |
Pages of publication | 1138 - 1151 |
a | 9.8105 ± 0.0016 Å |
b | 18.093 ± 0.003 Å |
c | 18.118 ± 0.003 Å |
α | 90° |
β | 90.131 ± 0.006° |
γ | 90° |
Cell volume | 3216 ± 0.9 Å3 |
Cell temperature | 85 ± 2 K |
Ambient diffraction temperature | 85 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0514 |
Residual factor for significantly intense reflections | 0.0467 |
Weighted residual factors for significantly intense reflections | 0.1293 |
Weighted residual factors for all reflections included in the refinement | 0.1318 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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