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Information card for entry 4336476
Preview
Coordinates | 4336476.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H32 B Cu F4 N2 P2 |
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Calculated formula | C42 H32 B Cu F4 N2 P2 |
SMILES | c1ccc2ccc3ccc[n]4c3c2[n]1[Cu]14[P](c2ccccc2[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-] |
Title of publication | Heteroleptic Copper(I) Complexes Prepared from Phenanthroline and Bis-Phosphine Ligands |
Authors of publication | Adrien Kaeser; Meera Mohankumar; John Mohanraj; Filippo Monti; Michel Holler; Juan-José Cid; Omar Moudam; Iwona Nierengarten; Lydia Karmazin-Brelot; Carine Duhayon; Béatrice Delavaux-Nicot; Nicola Armaroli; Jean-François Nierengarten |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 12140 - 12151 |
a | 17.5517 ± 0.0004 Å |
b | 19.0568 ± 0.0003 Å |
c | 21.3477 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7140.4 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0989 |
Residual factor for significantly intense reflections | 0.0516 |
Weighted residual factors for significantly intense reflections | 0.1363 |
Weighted residual factors for all reflections included in the refinement | 0.1663 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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