Advances in Chemistry / 2014 / Article / Tab 2

Research Article

Space Group Approximation of a Molecular Crystal by Classifying Molecules for Their Electric Potentials and Roughness on Their Inertial Ellipsoid Surface

Table 2

Mean form factors , of the inertial ellipsoid; mean planarity of the molecules (between max = 2, 1 and min = 0); and mean molecular planes of symmetry , , or (between max = 2, 1 and min = 0), with their standard deviations, for each SG.

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14NoP21/c0.690.160.430.161.430.761.430.760.210.430.360.50
31az0.680.150.430.151.350.841.420.760.190.400.450.51
17P21/c0.660.140.430.141.290.921.410.800.180.390.530.51
6FAQP21c0.670.160.400.061.830.411.670.52000.670.52

3Pbca0.700.230.410.191.331.151.331.15000.670.58
3P2121210.570.200.280.031.670.581.670.580.670.58 0.330.58
3Pna210.810.140.430.081.330.58100000
2P-10.730.070.630.191.50.7120000.500.71