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Information card for entry 4109143
Preview
Coordinates | 4109143.cif |
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Original paper (by DOI) | HTML |
Formula | C58 H50 N6 Ni2 O2 |
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Calculated formula | C58 H50 N6 Ni2 O2 |
SMILES | C1(=O)C[N](Cc2ccccc2)(Cc2ccccc2)[Ni]234N1c1ccccc1C(=[N]3[Ni]134[N]2=C(c2c(N1C(=O)C[N]3(Cc1ccccc1)Cc1ccccc1)cccc2)c1ccccc1)c1ccccc1 |
Title of publication | Design, Synthesis, and Characterization of Binuclear Ni(II) Complexes with Inherent Helical Chirality |
Authors of publication | Vadim A. Soloshonok; Hisanori Ueki |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 2426 - 2427 |
a | 15.11 ± 0.003 Å |
b | 15.309 ± 0.003 Å |
c | 20.414 ± 0.003 Å |
α | 90° |
β | 98.416 ± 0.002° |
γ | 90° |
Cell volume | 4671.3 ± 1.5 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0744 |
Residual factor for significantly intense reflections | 0.0462 |
Weighted residual factors for significantly intense reflections | 0.1049 |
Weighted residual factors for all reflections included in the refinement | 0.1162 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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