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Information card for entry 4336474
Preview
Coordinates | 4336474.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H46 B Cu F4 N2 O P2 |
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Calculated formula | C44 H46 B Cu F4 N2 O P2 |
SMILES | [Cu]12([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1c(C)ccc3c1c1[n]2c(ccc1cc3)C.CCOCC.[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 | 21.129 ± 0.003 Å |
b | 21.129 ± 0.003 Å |
c | 36.05 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 16094 ± 4 Å3 |
Cell temperature | 180 K |
Ambient diffraction temperature | 180 K |
Number of distinct elements | 8 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.1376 |
Residual factor for significantly intense reflections | 0.0804 |
Weighted residual factors for all reflections | 0.1348 |
Weighted residual factors for significantly intense reflections | 0.096 |
Weighted residual factors for all reflections included in the refinement | 0.096 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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