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Information card for entry 7038820
Preview
Coordinates | 7038820.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H32 Br2 Cu N6 O4 |
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Calculated formula | C23 H32 Br2 Cu N6 O4 |
SMILES | [Cu]123(Br)[n]4c(n(cc4)C)c4[n]1c(C(O)(C)c1[n]3c(ccc1)c1[n]2ccn1C)ccc4.OC.OC.OC.[Br-] |
Title of publication | Copper complexes as catalyst precursors in the electrochemical hydrogen evolution reaction. |
Authors of publication | Kügler, Merle; Scholz, Julius; Kronz, Andreas; Siewert, Inke |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 16 |
Pages of publication | 6974 - 6982 |
a | 13.241 ± 0.003 Å |
b | 13.767 ± 0.003 Å |
c | 29.787 ± 0.006 Å |
α | 90° |
β | 94.56 ± 0.03° |
γ | 90° |
Cell volume | 5413 ± 2 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 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 | 0.0773 |
Residual factor for significantly intense reflections | 0.0624 |
Weighted residual factors for significantly intense reflections | 0.1585 |
Weighted residual factors for all reflections included in the refinement | 0.1671 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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