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Information card for entry 2019287
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Coordinates | 2019287.cif |
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Original IUCr paper | HTML |
Common name | (dtbpe)NiCl2 |
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Chemical name | [1,2-Bis(di-<i>tert</i>-butylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II) |
Formula | C18 H40 Cl2 Ni P2 |
Calculated formula | C18 H40 Cl2 Ni P2 |
Title of publication | Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation |
Authors of publication | Schultz, Madeleine; Plessow, Philipp-Nikolaus; Rominger, Frank; Weigel, Laura |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 12 |
Pages of publication | 1437 - 1447 |
a | 11.1034 ± 0.0007 Å |
b | 15.1216 ± 0.0009 Å |
c | 14.5301 ± 0.0009 Å |
α | 90° |
β | 109.965 ± 0.001° |
γ | 90° |
Cell volume | 2293 ± 0.2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0592 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.0892 |
Weighted residual factors for all reflections included in the refinement | 0.0959 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/2019287.html
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