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Information card for entry 4506434
Preview
Coordinates | 4506434.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H24 F12 N6 Ni P2 |
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Calculated formula | C30 H24 F12 N6 Ni P2 |
SMILES | c1cccc2[n]1[Ni]13([n]4ccccc4c4cccc[n]14)([n]1ccccc1c1cccc[n]31)[n]1ccccc21.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Supramolecular Selection in Molecular Alloys |
Authors of publication | Bouzaid, Jocelyne; Schultz, Madeleine; Lao, Zane; Bartley, John; Bostrom, Thor; McMurtrie, John |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 8 |
Pages of publication | 3906 |
a | 10.6804 ± 0.0003 Å |
b | 10.6804 ± 0.0003 Å |
c | 16.5274 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1632.71 ± 0.08 Å3 |
Cell temperature | 225 ± 2 K |
Ambient diffraction temperature | 225 ± 2 K |
Number of distinct elements | 6 |
Space group number | 165 |
Hermann-Mauguin space group symbol | P -3 c 1 |
Hall space group symbol | -P 3 2"c |
Residual factor for all reflections | 0.054 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for significantly intense reflections | 0.0815 |
Weighted residual factors for all reflections included in the refinement | 0.0845 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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