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Information card for entry 7028313
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7028313.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H33 N13 Ni2 O3 |
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Calculated formula | C26 H33 N13 Ni2 O3 |
SMILES | [Ni]123([OH2])([O]4[Ni]5([OH2])([N](=Cc6c4c(cc(C(C)(C)C)c6)C=[N]1CCc1[n]2cccc1)CCc1[n]5cccc1)([N]3=N#N)N=N#N)N=N#N |
Title of publication | A radical pathway in catecholase activity with nickel(II) complexes of phenol based "end-off" compartmental ligands. |
Authors of publication | Ghosh, Totan; Adhikary, Jaydeep; Chakraborty, Prateeti; Sukul, Pradip K.; Jana, Mahendra Sekhar; Mondal, Tapan Kumar; Zangrando, Ennio; Das, Debasis |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 2 |
Pages of publication | 841 - 852 |
a | 13.907 ± 0.002 Å |
b | 17.381 ± 0.003 Å |
c | 13.59 ± 0.004 Å |
α | 90° |
β | 111.907 ± 0.002° |
γ | 90° |
Cell volume | 3047.7 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0319 |
Residual factor for significantly intense reflections | 0.0295 |
Weighted residual factors for significantly intense reflections | 0.0682 |
Weighted residual factors for all reflections included in the refinement | 0.0692 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 0.71073 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/7028313.html
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Users of the data should acknowledge the original authors of the
structural data.