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Figure 4
Residual density (atoms Cu1—O1—O3), static electron deformation density (atoms Cu1—O1—O3), contours = ±(0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.2, 1.6, 1.9, 2.4) e Å−3, and Laplacian (atoms Cu1—O1—O3), contours = ±(0.05, 0.1, 0.2, 0.4, 0.8, 1.6, 3.2, 6.4, 12.8, 25.6, 51.2, 102.4, 204.8, 409.6) e Å−5, for theoretically calculated structure factors and for HC model refinement with different Cu scattering factors; resolution stl < 0.75 Å−1. |
ISSN: 2052-2525
MATERIALS | COMPUTATION
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