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Information card for entry 7039643
Preview
Coordinates | 7039643.cif |
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Original paper (by DOI) | HTML |
Common name | Complex 2a |
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Chemical name | Complex 2a |
Formula | C38 H35 B N6 Ni S2 |
Calculated formula | C38 H35 B N6 Ni S2 |
SMILES | C1(=[S][Ni]21[n]1c(cc(C)n1[BH](n1c(cc(c3ccccc3)n1)C)n1c(cc(c3ccccc3)[n]21)C)c1ccccc1)SCc1ccccc1 |
Title of publication | Activation of heteroallenes by coordinatively unsaturated nickel(ii) alkyl complexes supported by the hydrotris(3-phenyl-5-methyl)pyrazolyl borate (Tp(Ph,Me)) ligand. |
Authors of publication | Abubekerov, Mark; Eymann, Léonard Y M; Gianetti, Thomas L.; Arnold, John |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 37 |
Pages of publication | 14581 - 14590 |
a | 10.501 ± 0.002 Å |
b | 10.927 ± 0.003 Å |
c | 16.316 ± 0.002 Å |
α | 85.952 ± 0.003° |
β | 89.58 ± 0.003° |
γ | 62.404 ± 0.003° |
Cell volume | 1654.4 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0295 |
Residual factor for significantly intense reflections | 0.0265 |
Weighted residual factors for significantly intense reflections | 0.0656 |
Weighted residual factors for all reflections included in the refinement | 0.0681 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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187144 (current) | 2016-10-08 | cif/ Updating files of 7039640, 7039641, 7039642, 7039643, 7039644, 7039645, 7039646, 7039647, 7039648, 7039649 Original log message: Adding full bibliography for 7039640--7039649.cif. |
7039643.cif |
183896 | 2016-06-24 | cif/ Adding structures of 7039640, 7039641, 7039642, 7039643, 7039644, 7039645, 7039646, 7039647, 7039648, 7039649 via cif-deposit CGI script. |
7039643.cif |
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Users of the data should acknowledge the original authors of the
structural data.