data__H98-12_ _audit_creation_method 'Created with Diamond v2.0' _audit_creation_date 03-05-02 _audit_update_record 03-05-02 _chemical_formula_sum 'C9 H10' _chemical_formula_weight 118.180 _cell_length_a 5.8964(7) _cell_length_b 8.7220(8) _cell_length_c 22.017(2) _cell_angle_alpha 90.000 _cell_angle_beta 93.095(8) _cell_angle_gamma 90.000 _cell_volume 1130.6(2) _symmetry_int_tables_number 14 _symmetry_space_group_name_H-M 'P 1 21/c 1' _symmetry_space_group_name_Hall '-P_2ybc' loop_ _atom_type_symbol _atom_type_oxidation_number _atom_type_radius_bond ? 1.200 ? 1.200 ? 1.200 ? 1.200 ? 1.200 ? 1.200 ? 1.200 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_attached_hydrogens _atom_site_calc_flag _atom_site_thermal_displace_type _atom_site_u_iso_or_equiv Hg(0) Hg 0.2218 0.9081 0.9563 1.000 4 e 1 calc Uani 0.05700 Hg(0) Hg 0.7782 1.0919 1.0437 1.000 4 e 1 calc Uani 0.05700 Hg(0) Hg 1.2218 0.9081 0.9563 1.000 4 e 1 calc Uani 0.05700 Hg(0) Hg -0.2218 1.0919 1.0437 1.000 4 e 1 calc Uani 0.05700 Hg(0) Hg -0.7782 0.9081 0.9563 1.000 4 e 1 calc Uani 0.05700 Hg(0) Hg -1.2218 1.0919 1.0437 1.000 4 e 1 calc Uani 0.05700 Hg(0) Hg -1.7782 0.9081 0.9563 1.000 4 e 1 calc Uani 0.05700 Hg(0) Hg -2.2218 1.0919 1.0437 1.000 4 e 1 calc Uani 0.05700 S(1) S 0.3507(0) 0.8294(0) 1.0559(0) 1.000 4 e ? d Uani 0.06300 S(1) S 0.6493(0) 1.1706(0) 0.9441(0) 1.000 4 e ? d Uani 0.06300 S(1) S -0.3507(0) 1.1706(0) 0.9441(0) 1.000 4 e ? d Uani 0.06300 S(1) S -0.6493(0) 0.8294(0) 1.0559(0) 1.000 4 e ? d Uani 0.06300 S(1) S -1.3507(0) 1.1706(0) 0.9441(0) 1.000 4 e ? d Uani 0.06300 S(1) S -1.6493(0) 0.8294(0) 1.0559(0) 1.000 4 e ? d Uani 0.06300 S(1) S -2.3507(0) 1.1706(0) 0.9441(0) 1.000 4 e ? d Uani 0.06300 S(2) S 0.6814(3) 0.7022(2) 0.9692(1) 1.000 4 e ? d Uani 0.06000 S(2) S 0.3186(3) 1.2978(2) 1.0308(1) 1.000 4 e ? d Uani 0.06000 S(2) S 1.3186(3) 1.2978(2) 1.0308(1) 1.000 4 e ? d Uani 0.06000 S(2) S -0.3186(3) 0.7022(2) 0.9692(1) 1.000 4 e ? d Uani 0.06000 S(2) S -0.6814(3) 1.2978(2) 1.0308(1) 1.000 4 e ? d Uani 0.06000 S(2) S -1.3186(3) 0.7022(2) 0.9692(1) 1.000 4 e ? d Uani 0.06000 S(2) S -1.6814(3) 1.2978(2) 1.0308(1) 1.000 4 e ? d Uani 0.06000 O(0) O 0.6615(3) 0.6463(2) 1.0872(1) 1.000 4 e ? d Uani 0.05500 Oa(0) O 0.3385(3) 1.3537(2) 0.9128(1) 1.000 4 e ? d Uani 0.05500 Ob(0) O -0.6615(3) 1.3537(2) 0.9128(1) 1.000 4 e ? d Uani 0.05500 Oc(0) O -0.3385(3) 0.6463(2) 1.0872(1) 1.000 4 e ? d Uani 0.05500 Od(0) O -1.3385(3) 0.6463(2) 1.0872(1) 1.000 4 e ? d Uani 0.05500 Oe(0) O -1.6615(3) 1.3537(2) 0.9128(1) 1.000 4 e ? d Uani 0.05500 C(1) C 0.0857(7) 0.9759(5) 0.8720(2) 1.000 4 e ? d Uani 0.07400 C(1) C 0.9143(7) 1.0241(5) 1.1280(2) 1.000 4 e ? d Uani 0.07400 C(1) C -0.0857(7) 1.0241(5) 1.1280(2) 1.000 4 e ? d Uani 0.07400 C(1) C -0.9143(7) 0.9759(5) 0.8720(2) 1.000 4 e ? d Uani 0.07400 C(1) C -1.0857(7) 1.0241(5) 1.1280(2) 1.000 4 e ? d Uani 0.07400 C(1) C -1.9143(7) 0.9759(5) 0.8720(2) 1.000 4 e ? d Uani 0.07400 H(1) H 0.1831(13) 0.9427(10) 0.8410(3) 1.000 4 e ? d Uiso 0.00000 H(1) H 0.8169(13) 1.0573(10) 1.1590(3) 1.000 4 e ? d Uiso 0.00000 H(1) H -0.8169(13) 0.9427(10) 0.8410(3) 1.000 4 e ? d Uiso 0.00000 H(1) H -1.1831(13) 1.0573(10) 1.1590(3) 1.000 4 e ? d Uiso 0.00000 H(1) H -1.8169(13) 0.9427(10) 0.8410(3) 1.000 4 e ? d Uiso 0.00000 H(1) H -0.1831(13) 1.0573(10) 1.1590(3) 1.000 4 e ? d Uiso 0.00000 H(1) H 0.073(5) 1.086(6) 0.8710(4) 1.000 4 e ? d Uiso 0.00000 H(1) H 0.927(5) 0.914(6) 1.1290(4) 1.000 4 e ? d Uiso 0.00000 H(1) H -0.073(5) 0.914(6) 1.1290(4) 1.000 4 e ? d Uiso 0.00000 H(1) H -0.927(5) 1.086(6) 0.8710(4) 1.000 4 e ? d Uiso 0.00000 H(1) H -1.073(5) 0.914(6) 1.1290(4) 1.000 4 e ? d Uiso 0.00000 H(1) H -1.927(5) 1.086(6) 0.8710(4) 1.000 4 e ? d Uiso 0.00000 H(1) H -0.062(10) 0.9310(11) 0.8649(10) 1.000 4 e ? d Uiso 0.00000 H(1) H 1.062(10) 1.0690(11) 1.1351(10) 1.000 4 e ? d Uiso 0.00000 H(1) H 0.062(10) 1.0690(11) 1.1351(10) 1.000 4 e ? d Uiso 0.00000 H(1) H -1.062(10) 0.9310(11) 0.8649(10) 1.000 4 e ? d Uiso 0.00000 H(1) H -0.938(10) 1.0690(11) 1.1351(10) 1.000 4 e ? d Uiso 0.00000 H(1) H -2.062(10) 0.9310(11) 0.8649(10) 1.000 4 e ? d Uiso 0.00000 C(2) C 0.580(4) 0.717(6) 1.0370(12) 1.000 4 e ? d Uani 0.04900 C(2) C 0.421(4) 1.283(6) 0.9630(12) 1.000 4 e ? d Uani 0.04900 C(2) C -0.580(4) 1.283(6) 0.9630(12) 1.000 4 e ? d Uani 0.04900 C(2) C -0.421(4) 0.717(6) 1.0370(12) 1.000 4 e ? d Uani 0.04900 C(2) C -1.421(4) 0.717(6) 1.0370(12) 1.000 4 e ? d Uani 0.04900 C(2) C -1.579(4) 1.283(6) 0.9630(12) 1.000 4 e ? d Uani 0.04900 C(3) C 0.8524(10) 0.5413(6) 1.0826(2) 1.000 4 e ? d Uani 0.05400 C(3) C 0.1476(10) 1.4587(6) 0.9174(2) 1.000 4 e ? d Uani 0.05400 C(3) C -0.8524(10) 1.4587(6) 0.9174(2) 1.000 4 e ? d Uani 0.05400 C(3) C -0.1476(10) 0.5413(6) 1.0826(2) 1.000 4 e ? d Uani 0.05400 C(3) C -1.8524(10) 1.4587(6) 0.9174(2) 1.000 4 e ? d Uani 0.05400 C(3) C -1.1476(10) 0.5413(6) 1.0826(2) 1.000 4 e ? d Uani 0.05400 H(3) H 0.9827(11) 0.5945(7) 1.0677(3) 1.000 4 e ? d Uiso 0.00000 H(3) H 0.0173(11) 1.4055(7) 0.9323(3) 1.000 4 e ? d Uiso 0.00000 H(3) H -0.0173(11) 0.5945(7) 1.0677(3) 1.000 4 e ? d Uiso 0.00000 H(3) H -0.9827(11) 1.4055(7) 0.9323(3) 1.000 4 e ? d Uiso 0.00000 H(3) H -1.9827(11) 1.4055(7) 0.9323(3) 1.000 4 e ? d Uiso 0.00000 H(3) H -1.0173(11) 0.5945(7) 1.0677(3) 1.000 4 e ? d Uiso 0.00000 H(3) H 0.8119(11) 0.4577(7) 1.0550(3) 1.000 4 e ? d Uiso 0.00000 H(3) H 0.1881(11) 1.5423(7) 0.9450(3) 1.000 4 e ? d Uiso 0.00000 H(3) H -0.8119(11) 1.5423(7) 0.9450(3) 1.000 4 e ? d Uiso 0.00000 H(3) H -0.1881(11) 0.4577(7) 1.0550(3) 1.000 4 e ? d Uiso 0.00000 H(3) H -1.8119(11) 1.5423(7) 0.9450(3) 1.000 4 e ? d Uiso 0.00000 H(3) H -1.1881(11) 0.4577(7) 1.0550(3) 1.000 4 e ? d Uiso 0.00000 C(4) C 0.9055(11) 0.4814(7) 1.1459(3) 1.000 4 e ? d Uani 0.05400 C(4) C 0.0945(11) 1.5186(7) 0.8541(3) 1.000 4 e ? d Uani 0.05400 C(4) C -0.9055(11) 1.5186(7) 0.8541(3) 1.000 4 e ? d Uani 0.05400 C(4) C -0.0945(11) 0.4814(7) 1.1459(3) 1.000 4 e ? d Uani 0.05400 C(4) C -1.0945(11) 0.4814(7) 1.1459(3) 1.000 4 e ? d Uani 0.05400 C(4) C -1.9055(11) 1.5186(7) 0.8541(3) 1.000 4 e ? d Uani 0.05400 C(5) C 0.7524(11) 0.3937(7) 1.1743(2) 1.000 4 e ? d Uani 0.06900 C(5) C 0.2476(11) 1.6063(7) 0.8257(2) 1.000 4 e ? d Uani 0.06900 C(5) C -0.7524(11) 1.6063(7) 0.8257(2) 1.000 4 e ? d Uani 0.06900 C(5) C -0.2476(11) 0.3937(7) 1.1743(2) 1.000 4 e ? d Uani 0.06900 C(5) C -1.2476(11) 0.3937(7) 1.1743(2) 1.000 4 e ? d Uani 0.06900 C(5) C -1.7524(11) 1.6063(7) 0.8257(2) 1.000 4 e ? d Uani 0.06900 H(5) H 0.613(1) 0.3706(8) 1.1547(3) 1.000 4 e ? d Uiso 0.00000 H(5) H 0.387(1) 1.6294(8) 0.8453(3) 1.000 4 e ? d Uiso 0.00000 H(5) H -0.613(1) 1.6294(8) 0.8453(3) 1.000 4 e ? d Uiso 0.00000 H(5) H -0.387(1) 0.3706(8) 1.1547(3) 1.000 4 e ? d Uiso 0.00000 H(5) H -1.387(1) 0.3706(8) 1.1547(3) 1.000 4 e ? d Uiso 0.00000 H(5) H -1.613(1) 1.6294(8) 0.8453(3) 1.000 4 e ? d Uiso 0.00000 C(6) C 0.805(1) 0.3381(8) 1.2330(3) 1.000 4 e ? d Uani 0.09000 C(6) C 0.195(1) 1.6619(8) 0.7670(3) 1.000 4 e ? d Uani 0.09000 C(6) C -0.805(1) 1.6619(8) 0.7670(3) 1.000 4 e ? d Uani 0.09000 C(6) C -0.195(1) 0.3381(8) 1.2330(3) 1.000 4 e ? d Uani 0.09000 C(6) C -1.805(1) 1.6619(8) 0.7670(3) 1.000 4 e ? d Uani 0.09000 C(6) C -1.195(1) 0.3381(8) 1.2330(3) 1.000 4 e ? d Uani 0.09000 H(6) H 0.700(2) 0.2794(11) 1.2527(3) 1.000 4 e ? d Uiso 0.00000 H(6) H 0.301(2) 1.7206(11) 0.7473(3) 1.000 4 e ? d Uiso 0.00000 H(6) H -0.700(2) 1.7206(11) 0.7473(3) 1.000 4 e ? d Uiso 0.00000 H(6) H -0.301(2) 0.2794(11) 1.2527(3) 1.000 4 e ? d Uiso 0.00000 H(6) H -1.699(2) 1.7206(11) 0.7473(3) 1.000 4 e ? d Uiso 0.00000 H(6) H -1.301(2) 0.2794(11) 1.2527(3) 1.000 4 e ? d Uiso 0.00000 C(7) C 1.010(2) 0.3706(11) 1.2610(3) 1.000 4 e ? d Uani 0.10500 C(7) C -0.010(2) 1.6294(11) 0.7390(3) 1.000 4 e ? d Uani 0.10500 C(7) C -1.010(2) 1.6294(11) 0.7390(3) 1.000 4 e ? d Uani 0.10500 C(7) C 0.010(2) 0.3706(11) 1.2610(3) 1.000 4 e ? d Uani 0.10500 C(7) C -2.010(2) 1.6294(11) 0.7390(3) 1.000 4 e ? d Uani 0.10500 C(7) C -0.990(2) 0.3706(11) 1.2610(3) 1.000 4 e ? d Uani 0.10500 H(7) H 1.046(2) 0.3344(13) 1.3001(4) 1.000 4 e ? d Uiso 0.00000 H(7) H -0.046(2) 1.6656(13) 0.6999(4) 1.000 4 e ? d Uiso 0.00000 H(7) H -1.046(2) 1.6656(13) 0.6999(4) 1.000 4 e ? d Uiso 0.00000 H(7) H 0.046(2) 0.3344(13) 1.3001(4) 1.000 4 e ? d Uiso 0.00000 H(7) H -2.046(2) 1.6656(13) 0.6999(4) 1.000 4 e ? d Uiso 0.00000 H(7) H -0.954(2) 0.3344(13) 1.3001(4) 1.000 4 e ? d Uiso 0.00000 C(8) C 1.164(2) 0.4568(13) 1.2316(4) 1.000 4 e ? d Uani 0.11300 C(8) C -0.164(2) 1.5432(13) 0.7684(4) 1.000 4 e ? d Uani 0.11300 C(8) C -1.164(2) 1.5432(13) 0.7684(4) 1.000 4 e ? d Uani 0.11300 C(8) C 0.164(2) 0.4568(13) 1.2316(4) 1.000 4 e ? d Uani 0.11300 C(8) C -2.164(2) 1.5432(13) 0.7684(4) 1.000 4 e ? d Uani 0.11300 C(8) C -0.836(2) 0.4568(13) 1.2316(4) 1.000 4 e ? d Uani 0.11300 H(8) H 1.306(2) 0.476(2) 1.2503(4) 1.000 4 e ? d Uiso 0.00000 H(8) H -0.306(2) 1.524(2) 0.7497(4) 1.000 4 e ? d Uiso 0.00000 H(8) H -1.306(2) 1.524(2) 0.7497(4) 1.000 4 e ? d Uiso 0.00000 H(8) H 0.306(2) 0.476(2) 1.2503(4) 1.000 4 e ? d Uiso 0.00000 H(8) H -2.306(2) 1.524(2) 0.7497(4) 1.000 4 e ? d Uiso 0.00000 H(8) H -0.694(2) 0.476(2) 1.2503(4) 1.000 4 e ? d Uiso 0.00000 C(9) C 1.112(2) 0.516(2) 1.1749(4) 1.000 4 e ? d Uani 0.08200 C(9) C -0.112(2) 1.485(2) 0.8251(4) 1.000 4 e ? d Uani 0.08200 C(9) C -1.112(2) 1.485(2) 0.8251(4) 1.000 4 e ? d Uani 0.08200 C(9) C 0.112(2) 0.516(2) 1.1749(4) 1.000 4 e ? d Uani 0.08200 C(9) C -0.888(2) 0.516(2) 1.1749(4) 1.000 4 e ? d Uani 0.08200 C(9) C -2.112(2) 1.485(2) 0.8251(4) 1.000 4 e ? d Uani 0.08200 H(9) H 1.2148(13) 0.5779(11) 1.1561(3) 1.000 4 e ? d Uiso 0.00000 H(9) H -0.2148(13) 1.4221(11) 0.8439(3) 1.000 4 e ? d Uiso 0.00000 H(9) H 0.2148(13) 0.5779(11) 1.1561(3) 1.000 4 e ? d Uiso 0.00000 H(9) H -1.2148(13) 1.4221(11) 0.8439(3) 1.000 4 e ? d Uiso 0.00000 H(9) H -0.7852(13) 0.5779(11) 1.1561(3) 1.000 4 e ? d Uiso 0.00000 H(9) H -2.2148(13) 1.4221(11) 0.8439(3) 1.000 4 e ? d Uiso 0.00000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Hg(0) 0.05610 0.05440 0.05940 0.00710 -0.00140 0.00580 Hg(0) 0.05610 0.05440 0.05940 0.00710 -0.00140 0.00580 Hg(0) 0.05610 0.05440 0.05940 0.00710 -0.00140 0.00580 Hg(0) 0.05610 0.05440 0.05940 0.00710 -0.00140 0.00580 Hg(0) 0.05610 0.05440 0.05940 0.00710 -0.00140 0.00580 Hg(0) 0.05610 0.05440 0.05940 0.00710 -0.00140 0.00580 Hg(0) 0.05610 0.05440 0.05940 0.00710 -0.00140 0.00580 Hg(0) 0.05610 0.05440 0.05940 0.00710 -0.00140 0.00580 S(1) 0.06310 0.06970 0.05650 0.01910 0.00690 0.00710 S(1) 0.06310 0.06970 0.05650 0.01910 0.00690 0.00710 S(1) 0.06310 0.06970 0.05650 0.01910 0.00690 0.00710 S(1) 0.06310 0.06970 0.05650 0.01910 0.00690 0.00710 S(1) 0.06310 0.06970 0.05650 0.01910 0.00690 0.00710 S(1) 0.06310 0.06970 0.05650 0.01910 0.00690 0.00710 S(1) 0.06310 0.06970 0.05650 0.01910 0.00690 0.00710 S(2) 0.06200 0.07050 0.04670 0.01070 0.00280 0.00490 S(2) 0.06200 0.07050 0.04670 0.01070 0.00280 0.00490 S(2) 0.06200 0.07050 0.04670 0.01070 0.00280 0.00490 S(2) 0.06200 0.07050 0.04670 0.01070 0.00280 0.00490 S(2) 0.06200 0.07050 0.04670 0.01070 0.00280 0.00490 S(2) 0.06200 0.07050 0.04670 0.01070 0.00280 0.00490 S(2) 0.06200 0.07050 0.04670 0.01070 0.00280 0.00490 O(0) 0.06100 0.05700 0.04700 0.01400 -0.00200 0.00100 Oa(0) 0.06100 0.05700 0.04700 0.01400 -0.00200 0.00100 Ob(0) 0.06100 0.05700 0.04700 0.01400 -0.00200 0.00100 Oc(0) 0.06100 0.05700 0.04700 0.01400 -0.00200 0.00100 Od(0) 0.06100 0.05700 0.04700 0.01400 -0.00200 0.00100 Oe(0) 0.06100 0.05700 0.04700 0.01400 -0.00200 0.00100 C(1) 0.07600 0.08500 0.05900 0.01700 -0.00800 0.00400 C(1) 0.07600 0.08500 0.05900 0.01700 -0.00800 0.00400 C(1) 0.07600 0.08500 0.05900 0.01700 -0.00800 0.00400 C(1) 0.07600 0.08500 0.05900 0.01700 -0.00800 0.00400 C(1) 0.07600 0.08500 0.05900 0.01700 -0.00800 0.00400 C(1) 0.07600 0.08500 0.05900 0.01700 -0.00800 0.00400 C(2) 0.05000 0.04300 0.05200 0.00200 -0.00500 0.00200 C(2) 0.05000 0.04300 0.05200 0.00200 -0.00500 0.00200 C(2) 0.05000 0.04300 0.05200 0.00200 -0.00500 0.00200 C(2) 0.05000 0.04300 0.05200 0.00200 -0.00500 0.00200 C(2) 0.05000 0.04300 0.05200 0.00200 -0.00500 0.00200 C(2) 0.05000 0.04300 0.05200 0.00200 -0.00500 0.00200 C(3) 0.05800 0.05700 0.04600 0.01400 -0.00500 0.00100 C(3) 0.05800 0.05700 0.04600 0.01400 -0.00500 0.00100 C(3) 0.05800 0.05700 0.04600 0.01400 -0.00500 0.00100 C(3) 0.05800 0.05700 0.04600 0.01400 -0.00500 0.00100 C(3) 0.05800 0.05700 0.04600 0.01400 -0.00500 0.00100 C(3) 0.05800 0.05700 0.04600 0.01400 -0.00500 0.00100 C(4) 0.06400 0.05500 0.04200 0.01100 -0.00400 -0.00200 C(4) 0.06400 0.05500 0.04200 0.01100 -0.00400 -0.00200 C(4) 0.06400 0.05500 0.04200 0.01100 -0.00400 -0.00200 C(4) 0.06400 0.05500 0.04200 0.01100 -0.00400 -0.00200 C(4) 0.06400 0.05500 0.04200 0.01100 -0.00400 -0.00200 C(4) 0.06400 0.05500 0.04200 0.01100 -0.00400 -0.00200 C(5) 0.08000 0.07000 0.05500 0.00300 -0.00200 0.00200 C(5) 0.08000 0.07000 0.05500 0.00300 -0.00200 0.00200 C(5) 0.08000 0.07000 0.05500 0.00300 -0.00200 0.00200 C(5) 0.08000 0.07000 0.05500 0.00300 -0.00200 0.00200 C(5) 0.08000 0.07000 0.05500 0.00300 -0.00200 0.00200 C(5) 0.08000 0.07000 0.05500 0.00300 -0.00200 0.00200 C(6) 0.12600 0.08500 0.06100 0.02100 0.01300 0.01500 C(6) 0.12600 0.08500 0.06100 0.02100 0.01300 0.01500 C(6) 0.12600 0.08500 0.06100 0.02100 0.01300 0.01500 C(6) 0.12600 0.08500 0.06100 0.02100 0.01300 0.01500 C(6) 0.12600 0.08500 0.06100 0.02100 0.01300 0.01500 C(6) 0.12600 0.08500 0.06100 0.02100 0.01300 0.01500 C(7) 0.12400 0.13900 0.05100 0.05900 -0.00400 0.01300 C(7) 0.12400 0.13900 0.05100 0.05900 -0.00400 0.01300 C(7) 0.12400 0.13900 0.05100 0.05900 -0.00400 0.01300 C(7) 0.12400 0.13900 0.05100 0.05900 -0.00400 0.01300 C(7) 0.12400 0.13900 0.05100 0.05900 -0.00400 0.01300 C(7) 0.12400 0.13900 0.05100 0.05900 -0.00400 0.01300 C(8) 0.08200 0.19300 0.06100 0.01900 -0.01900 0.00500 C(8) 0.08200 0.19300 0.06100 0.01900 -0.01900 0.00500 C(8) 0.08200 0.19300 0.06100 0.01900 -0.01900 0.00500 C(8) 0.08200 0.19300 0.06100 0.01900 -0.01900 0.00500 C(8) 0.08200 0.19300 0.06100 0.01900 -0.01900 0.00500 C(8) 0.08200 0.19300 0.06100 0.01900 -0.01900 0.00500 C(9) 0.06100 0.12000 0.06400 0.00200 -0.00800 0.00300 C(9) 0.06100 0.12000 0.06400 0.00200 -0.00800 0.00300 C(9) 0.06100 0.12000 0.06400 0.00200 -0.00800 0.00300 C(9) 0.06100 0.12000 0.06400 0.00200 -0.00800 0.00300 C(9) 0.06100 0.12000 0.06400 0.00200 -0.00800 0.00300 C(9) 0.06100 0.12000 0.06400 0.00200 -0.00800 0.00300 loop_ _geom_contact_atom_site_symbol_1 _geom_contact_atom_site_symbol_2 _geom_contact_site_symmetry_1 _geom_contact_site_symmetry_2 _geom_contact_distance _geom_contact_publ_flag Hg(0) S(2) Hg(0) S(1) S(1) Hg(0) S(1) Hg(0) S(1) Hg(0) S(1) Hg(0) Hg(0) S(2) Hg(0) S(2) Hg(0) Hg(0) S(2) Hg(0) S(2) Hg(0) Hg(0) S(2) Hg(0) S(2) S(1) Hg(0) S(2) Hg(0) S(2) Hg(0) S(2) Hg(0) S(2) Hg(0) S(2) Hg(0) S(2) Hg(0) S(1) Hg(0) Hg(0) S(1) Hg(0) S(1) Hg(0) S(1) Hg(0) S(2) Hg(0) S(2) loop_ _geom_bond_atom_site_symbol_1 _geom_bond_atom_site_symbol_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Hg(0) S(2) Hg(0) S(2) S(2) Hg(0) Hg(0) S(2) Hg(0) S(2) S(1) Hg(0) Hg(0) S(1) S(2) Hg(0)