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Figure 1
(a) ORTEP representation (Burnett & Johnson, 1996BB2) of the experimentally determined molecular structure in the crystal with atomic numbering scheme and displacement ellipsoids with 50% probability. (b) Calculated difference between multipole and invariom refinement. This difference is not a residual density map, as only modelled features are considered. Isosurfaces are 0.05 (dotted), 0.075 (meshed) and 0.1 (filled). Positive features are shown in green, negative surfaces in red.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 63| Part 3| May 2007| Pages 505-509
doi:10.1107/S0108768107014838
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