####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # If this CIF has been generated from an entry in the Cambridge # Structural Database, then it will include bibliographic, chemical, # crystal, experimental, refinement or atomic coordinate data resulting # from the CCDC's data processing and validation procedures. # ####################################################################### data_C 13.423410182 16.490433986 14.277844839 _cell_length_a 1 _cell_length_b 1 _cell_length_c 1 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z C C 13.4234 16.4904 14.2778 C C 12.4461 16.7361 13.3081 C C 19.4258 15.5642 18.4068 C C 12.7259 17.7163 12.3536 C C 18.6176 13.3514 16.429 C C 17.6315 17.6757 18.288 C C 18.6142 17.679 19.2823 C C 15.4271 12.3941 13.5406 C C 15.1265 20.3516 18.2635 C C 14.8405 13.9211 18.0794 C C 15.906 14.6873 12.8886 C C 15.444 14.8976 18.8939 C C 16.1224 13.5986 13.7538 C C 17.0642 13.7139 14.8662 C C 16.5699 18.6693 18.1453 C C 18.4077 15.642 17.4511 C C 16.2882 19.8646 18.8428 C C 19.522 16.6133 19.3235 C C 15.8776 12.1811 19.4189 C C 16.2058 18.656 13.5091 C C 17.9427 12.7317 15.4005 C C 12.8296 13.6873 16.4422 C C 18.1465 19.7223 13.3554 C C 16.2654 14.5156 19.9554 C C 16.4883 13.1575 20.2164 C C 13.9486 18.3988 12.3737 C C 16.8881 19.6529 12.7777 C C 14.8644 18.091 13.3841 C C 13.9988 14.3162 16.9512 C C 14.9929 14.5778 11.8389 C C 14.2901 13.3823 11.6419 C C 12.4178 14.4629 15.3808 C C 15.0531 12.5584 18.3575 C C 14.5114 12.291 12.4919 Fe Fe 16.0212 16.6775 15.8621 H H 18.9395 18.5885 14.9874 H H 13.9679 19.516 16.6705 H H 11.5063 16.1857 13.2972 H H 20.1154 14.7215 18.4343 H H 11.9892 17.9405 11.5804 H H 19.3784 12.9858 17.1114 H H 18.6616 18.4882 20.0111 H H 15.5954 11.5465 14.2086 H H 14.5317 21.2365 18.4723 H H 16.4853 15.6022 13.0274 H H 15.234 15.9524 18.7069 H H 16.8463 20.3165 19.6564 H H 20.3046 16.5932 20.0836 H H 16.0408 11.1226 19.6291 H H 18.0783 11.7138 15.0494 H H 12.3424 12.7985 16.83 H H 19.0135 20.3354 13.1257 H H 16.7139 15.2768 20.5972 H H 17.1197 12.8589 21.0555 H H 14.1901 19.1442 11.616 H H 16.5236 20.2433 11.9435 H H 14.8463 15.4175 11.1565 H H 13.5865 13.2925 10.812 H H 11.5769 14.3621 14.702 H H 14.583 11.7983 17.7295 H H 13.9733 11.355 12.3319 N N 17.5604 16.6763 17.3741 N N 14.2866 15.4142 16.2257 N N 18.1663 18.8111 14.3654 N N 14.7769 19.4733 17.2852 N N 17.1938 14.8698 15.5458 N N 18.1541 14.6388 16.4992 N N 14.5789 17.1654 14.3332 N N 15.6313 18.4371 17.1929 N N 13.3069 15.4992 15.2681 N N 17.0033 18.143 14.48 #END