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Information card for entry 4313729
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Coordinates | 4313729.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | NI3(depa)4(PF6)3(CH2Cl2)3 |
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Formula | C59 H70 Cl6 F18 N12 Ni3 P3 |
Calculated formula | C59 H70 Cl6 F18 N12 Ni3 P3 |
Title of publication | Enhancing the Stability of Trinickel Molecular Wires and Switches: Ni36+/Ni37+ |
Authors of publication | John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Xiaoping Wang |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 3595 - 3601 |
a | 13.9197 ± 0.0012 Å |
b | 31.703 ± 0.003 Å |
c | 16.7269 ± 0.0014 Å |
α | 90° |
β | 95.023 ± 0.002° |
γ | 90° |
Cell volume | 7353.2 ± 1.1 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0993 |
Residual factor for significantly intense reflections | 0.0756 |
Weighted residual factors for significantly intense reflections | 0.1757 |
Weighted residual factors for all reflections included in the refinement | 0.1884 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4313729.html
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