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Information card for entry 4326648
Preview
Coordinates | 4326648.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33.5 H32 B Cu F4 N4 O0.5 P S |
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Calculated formula | C32 H29 B Cu F4 N4 P S |
SMILES | [Cu]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)[S](CC(n3[n]1ccc3)n1[n]2ccc1)c1ccccc1.[B](F)(F)(F)[F-] |
Title of publication | Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands |
Authors of publication | Irene Bassanetti; Luciano Marchiò |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 10786 - 10797 |
a | 11.641 ± 0.001 Å |
b | 11.854 ± 0.001 Å |
c | 13.121 ± 0.001 Å |
α | 79.685 ± 0.001° |
β | 77.861 ± 0.001° |
γ | 70.546 ± 0.001° |
Cell volume | 1657.3 ± 0.2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0276 |
Residual factor for significantly intense reflections | 0.0242 |
Weighted residual factors for significantly intense reflections | 0.0627 |
Weighted residual factors for all reflections included in the refinement | 0.0644 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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