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Information card for entry 7114590
Preview
Coordinates | 7114590.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H82 N4 Ni2 Se3 |
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Calculated formula | C64 H82 N4 Ni2 Se3 |
SMILES | C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Ni]1234([cH]5[cH]1[cH]2[cH]3[cH]45)[Se][Se][Se][Ni]1234(=C5N(C=CN5c5c(cccc5C(C)C)C(C)C)c5c(cccc5C(C)C)C(C)C)[cH]5[cH]1[cH]2[cH]3[cH]45 |
Title of publication | Selective P4 activation by an organometallic nickel(I) radical: formation of a dinuclear nickel(II) tetraphosphide and related di- and trichalcogenides |
Authors of publication | Stefan Pelties; Dirk Herrmann; Bas de Bruin; Frantisek Hartl; Robert Wolf |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 7014 |
a | 16.8208 ± 0.0006 Å |
b | 18.4669 ± 0.001 Å |
c | 39.0547 ± 0.001 Å |
α | 90° |
β | 96.196 ± 0.003° |
γ | 90° |
Cell volume | 12060.6 ± 0.8 Å3 |
Cell temperature | 123.01 ± 0.1 K |
Ambient diffraction temperature | 123.01 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0495 |
Residual factor for significantly intense reflections | 0.0409 |
Weighted residual factors for significantly intense reflections | 0.0985 |
Weighted residual factors for all reflections included in the refinement | 0.104 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7114590.html
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Users of the data should acknowledge the original authors of the
structural data.