Cubane: E.B. Fleischer, J.Amer.Chem.Soc., 86, 3889 (1964) Cell parameters 5.34, 5.34, 5.34, 72.25999, 72.25999, 72.25999 Symmetry matrices for space group R3bar .0000 1x 0y 0z ,.0000 0x 1y 0z ,.0000 0x 0y 1z .0000 0x 0y 1z ,.0000 1x 0y 0z ,.0000 0x 1y 0z .0000 0x 1y 0z ,.0000 0x 0y 1z ,.0000 1x 0y 0z .0000 -1x 0y 0z ,.0000 0x -1y 0z ,.0000 0x 0y -1z .0000 0x 0y -1z ,.0000 -1x 0y 0z ,.0000 0x -1y 0z .0000 0x -1y 0z ,.0000 0x 0y -1z ,.0000 -1x 0y 0z Atom coordinates (x,y,z,name) C1, -0.18711, 0.19519, 0.10706 C2, 0.11546, 0.11546, 0.11546 H1, -0.32460, 0.34680, 0.18480 H2, 0.21000, 0.21000, 0.21000 Thermal parameters (11 22 33 12 13 23 ) and type 0.04100, 0.04250, 0.04500, -0.00420, -0.01420, -0.00510, 0 0.04680, 0.04680, 0.04680, -0.01430, -0.01430, -0.01430, 0 0.10000, 0.00000, 0.00000, 0.00000, 0.00000, 0.00000, 7 0.10000, 0.00000, 0.00000, 0.00000, 0.00000, 0.00000, 7 Origin and rotation matrix 0.00000, 0.00000, 0.00000 0.18726592, -0.06486512, 0.04014409 0.00000000, 0.02287100, -0.20090899 0.00000000, 0.19001204, 0.06915873 16 atoms selected 00155501, 00255501, 00355501, 00455501, 00155502, 00355502, 00155503, 00355503, 00155504, 00255504, 00355504, 00455504, 00155505, 00355505, 00155506, 00355506 Atom color and kind 11, 11, 44, 44 1 bond types 1, 4, 1, 4, 2.0000, 0.9000, 0.0400, 2, 2 Scale factors (ellipsoid, overall, hydrogen, print, line, stereo) 1.538, 0.850, 1.000, 4.0, 1., 1