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Information card for entry 7101204
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7101204.cif |
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Original paper (by DOI) | HTML |
Formula | C56 H56 Ni P4 |
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Calculated formula | C56 H56 Ni P4 |
SMILES | C1CCC[P]([Ni]2([P]1(c1ccccc1)c1ccccc1)[P](CCCC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | A Key Step of the Formation of Acrylic Acid from CO~2~ and Ethylene: The Transformation of a Nickelalactone into a Nickel-acrylate Complex |
Authors of publication | Dirk Walther; Reinald Fischer; Helmar Gorls; Jens Langer; Astrid Malassa; Gavin Vaughan |
Journal of publication | Chemical Communications |
Year of publication | 2006 |
Journal issue | 23 |
a | 20.9448 ± 0.0004 Å |
b | 11.835 ± 0.0003 Å |
c | 20.066 ± 0.0004 Å |
α | 90° |
β | 110.142 ± 0.002° |
γ | 90° |
Cell volume | 4669.79 ± 0.18 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0489 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for significantly intense reflections | 0.0782 |
Weighted residual factors for all reflections included in the refinement | 0.0857 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7101204.html
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