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Information card for entry 7058468
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Coordinates | 7058468.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H32 Cu N2 O4 |
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Calculated formula | C40 H32 Cu N2 O4 |
Title of publication | Redox-switching of ternary Ni(ii) and Cu(ii) complexes: synthesis, experimental and theoretical studies along with second-order nonlinear optical properties |
Authors of publication | Novoa, Néstor; Manzur, Carolina; Roisnel, Thierry; Dorcet, Vincent; Cabon, Nolwenn; Robin-Le Guen, Françoise; Ledoux-Rak, Isabelle; Kahlal, Samia; Saillard, Jean-Yves; Carrillo, David; Hamon, Jean-René |
Journal of publication | New Journal of Chemistry |
Year of publication | 2019 |
Journal volume | 43 |
Journal issue | 26 |
Pages of publication | 10468 |
a | 6.321 ± 0.0003 Å |
b | 17.7556 ± 0.0009 Å |
c | 28.2853 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3174.5 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P 21 c n |
Hall space group symbol | P -2n 2a |
Residual factor for all reflections | 0.1105 |
Residual factor for significantly intense reflections | 0.0743 |
Weighted residual factors for significantly intense reflections | 0.107 |
Weighted residual factors for all reflections included in the refinement | 0.119 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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