# D5h # #ferrocene- P.Seiler,J.D.Dunitz, (1982) Acta Crystallogr., B8, 1741 #the C5H5 B was rotated of 180 degrees around the vector from its centre of mass # to Fe (D5d) 1.00000 1.00000 1.00000 90.00000 90.00000 90.00000 1 1 .300000 .300000 Fe1 1 0.0000 -0.0052 0.0019 0.0000 0.0000 0.0000 C1 1 0.0000 1.2238 1.6570 0.0000 0.0000 0.0000 C2 1 -1.1568 0.3796 1.6539 0.0000 0.0000 0.0000 C3 1 -0.7178 -0.9883 1.6607 0.0000 0.0000 0.0000 C4 1 1.1567 0.3797 1.6539 0.0000 0.0000 0.0000 C5 1 0.7178 -0.9883 1.6607 0.0000 0.0000 0.0000 H1 1 -0.0001 2.3028 1.6640 0.0000 0.0000 0.0000 H2 1 -2.1840 0.7123 1.6472 0.0000 0.0000 0.0000 H3 1 -1.3528 -1.8609 1.6644 0.0000 0.0000 0.0000 H4 1 2.1840 0.7125 1.6472 0.0000 0.0000 0.0000 H5 1 1.3529 -1.8608 1.6644 0.0000 0.0000 0.0000 C1B 1 0.0000 -1.2032 -1.6764 0.0000 0.0000 0.0000 C2B 1 1.1523 -0.3679 -1.6593 0.0000 0.0000 0.0000 C3B 1 0.7115 0.9841 -1.6495 0.0000 0.0000 0.0000 C4B 1 -0.7115 0.9841 -1.6495 0.0000 0.0000 0.0000 C5B 1 -1.1522 -0.3680 -1.6593 0.0000 0.0000 0.0000 H1B 1 0.0001 -2.2840 -1.6961 0.0000 0.0000 0.0000 H2B 1 2.1795 -0.7027 -1.6580 0.0000 0.0000 0.0000 H3B 1 1.3465 1.8585 -1.6426 0.0000 0.0000 0.0000 H4B 1 -1.3466 1.8584 -1.6426 0.0000 0.0000 0.0000 H5B 1 -2.1795 -0.7028 -1.6580 0.0000 0.0000 0.0000