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Information card for entry 7108765
Preview
Coordinates | 7108765.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H36 N2 Ni S2 |
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Calculated formula | C32 H36 N2 Ni S2 |
SMILES | [Ni]12(Sc3ccccc3[N]1=CC1=CC[C@@H]3C([C@H]1C3)(C)C)Sc1ccccc1[N]2=CC1=CC[C@@H]2C([C@H]1C2)(C)C |
Title of publication | Chirality transfer based on reversible C-C bond formation/breaking in nickel(II) complexes |
Authors of publication | Tatsuya Kawamoto; Narumi Suzuki; Takeshi Ono; Dafei Gong; Takumi Konno |
Journal of publication | Chem.Commun. |
Year of publication | 2013 |
Journal volume | 49 |
Pages of publication | 668 |
a | 10.401 ± 0.007 Å |
b | 11.832 ± 0.006 Å |
c | 13.163 ± 0.008 Å |
α | 111.045 ± 0.018° |
β | 100.23 ± 0.02° |
γ | 107.71 ± 0.02° |
Cell volume | 1363.2 ± 1.5 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.1288 |
Residual factor for significantly intense reflections | 0.0582 |
Weighted residual factors for significantly intense reflections | 0.1398 |
Weighted residual factors for all reflections included in the refinement | 0.1646 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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