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Information card for entry 7052266
Preview
Coordinates | 7052266.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H38 Br2 Cl2 N2 Ni |
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Calculated formula | C33 H38 Br2 Cl2 N2 Ni |
SMILES | C12C(c3cccc4cccc1c34)=[N](C1C3CC4CC1CC(C3)C4)[Ni]([N]=2C1C2CC3CC1CC(C2)C3)(Br)Br.C(Cl)Cl |
Title of publication | Stability-inducing strain: application to the synthesis of alkyl-BIAN ligands (alkyl-BIAN = bis(alkyl)acenaphthenequinonediimine) |
Authors of publication | Ragaini, Fabio; Gasperini, Michela; Parma, Paolo; Gallo, Emma; Casati, Nicola; Macchi, Piero |
Journal of publication | New Journal of Chemistry |
Year of publication | 2006 |
Journal volume | 30 |
Journal issue | 7 |
Pages of publication | 1046 |
a | 11.3215 ± 0.001 Å |
b | 11.7432 ± 0.0011 Å |
c | 13.7576 ± 0.0012 Å |
α | 103.925 ± 0.002° |
β | 108.377 ± 0.002° |
γ | 108.885 ± 0.002° |
Cell volume | 1518 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0855 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.108 |
Weighted residual factors for all reflections included in the refinement | 0.1243 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71069 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/7052266.html
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