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Information card for entry 1549121
Preview
Coordinates | 1549121.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H30 F4 I2 Ni P2 |
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Calculated formula | C18 H30 F4 I2 Ni P2 |
SMILES | I[Ni]([P](CC)(CC)CC)([P](CC)(CC)CC)c1c(I)c(F)c(F)c(F)c1F |
Title of publication | Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides. |
Authors of publication | Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 15 |
Pages of publication | 3767 - 3781 |
a | 12.19004 ± 0.00019 Å |
b | 28.0191 ± 0.0005 Å |
c | 14.2344 ± 0.0002 Å |
α | 90° |
β | 91.6129 ± 0.0013° |
γ | 90° |
Cell volume | 4859.89 ± 0.13 Å3 |
Cell temperature | 110.05 ± 0.1 K |
Ambient diffraction temperature | 110.05 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0429 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.0858 |
Weighted residual factors for all reflections included in the refinement | 0.0904 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1549121.html
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