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Information card for entry 4078060
Preview
Coordinates | 4078060.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H43 N6 O6.5 |
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Calculated formula | C30 H43 N6 O6.5 |
SMILES | N(=O)(=O)[O-].C(n1nc(cc1)C(C)(C)C)(n1nc(cc1)C(C)(C)C)c1cc(O)c(O)cc1[n+]1ccc(cc1)C(C)(C)C.O.O |
Title of publication | Mononuclear (O,O′ orN,N′) and Heterodinuclear (O,O′ andN,N′) Transition-Metal Complexes ofortho-Quinoid Bis(pyrazol-1-yl)methane Ligands |
Authors of publication | Blasberg, Florian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 8 |
Pages of publication | 3213 |
a | 34.6611 ± 0.0004 Å |
b | 34.6611 ± 0.0004 Å |
c | 22.335 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 26833.1 ± 0.6 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 4 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.1308 |
Residual factor for significantly intense reflections | 0.1109 |
Weighted residual factors for significantly intense reflections | 0.3432 |
Weighted residual factors for all reflections included in the refinement | 0.3694 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.533 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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