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Information card for entry 4102393
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4102393.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H46 Cl2 Ni2 P2 |
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Calculated formula | C36 H46 Cl2 Ni2 P2 |
SMILES | [Ni]12345[Ni]67([Cl]1)([Cl]2)[P](c1c([C]26C=C[C]4(c4c([P]3(C(C)C)C(C)C)cccc4)=[CH]5[CH]7=2)cccc1)(C(C)C)C(C)C.c1ccccc1 |
Title of publication | Synthesis and C-C Coupling Reactivity of a Dinuclear NiI-NiI Complex Supported by a Terphenyl Diphosphine |
Authors of publication | Alexandra Velian; Sibo Lin; Alexander J. M. Miller; Michael W. Day; Theodor Agapie |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2010 |
Journal volume | 132 |
Pages of publication | 6296 - 6297 |
a | 9.673 ± 0.0005 Å |
b | 12.8755 ± 0.0006 Å |
c | 14.3392 ± 0.0007 Å |
α | 102.753 ± 0.003° |
β | 99.036 ± 0.003° |
γ | 91.5 ± 0.003° |
Cell volume | 1716.76 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0379 |
Residual factor for significantly intense reflections | 0.027 |
Weighted residual factors for significantly intense reflections | 0.0532 |
Weighted residual factors for all reflections included in the refinement | 0.0539 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.237 |
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/4102393.html
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Users of the data should acknowledge the original authors of the
structural data.