data_2241397 _cell_angle_alpha 64.103 _cell_angle_beta 84.272 _cell_angle_gamma 75.826 _cell_length_a 10.1105 _cell_length_b 10.7469 _cell_length_c 11.9839 _exptl_crystal_F_000 796.00 _reflns_d_resolution_high 0.8300 _cod_data_source_file hb7547Isup2.hkl _cod_data_source_block I _shelx_title ' I in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 318.52 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 2 0 0 1798.17 1544.19 26.33 o 3 0 0 14752.42 14439.96 115.29 o 4 0 0 11719.37 11112.07 96.55 o 5 0 0 3521.81 3666.07 52.59 o 6 0 0 7461.49 7420.96 83.70 o 7 0 0 4.83 -7.57 19.68 o 8 0 0 121.98 173.48 25.65 o 9 0 0 15554.11 16007.03 167.39 o 10 0 0 7474.77 7459.16 116.22 o 11 0 0 266.42 256.71 58.35 o -11 1 0 813.74 839.18 57.15 o -10 1 0 6874.02 6968.09 112.93 o -9 1 0 11294.32 11228.49 133.02 o -8 1 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17.90 o 6 2 0 0.31 10.60 17.32 o 7 2 0 444.82 499.30 36.82 o 8 2 0 33.54 26.01 26.88 o 9 2 0 58.62 18.77 30.62 o 10 2 0 66.16 44.84 39.08 o 11 2 0 274.37 363.65 66.33 o 12 2 0 131.22 189.16 74.09 o -10 3 0 695.01 697.79 56.67 o -9 3 0 203.61 238.01 47.28 o -8 3 0 237.71 267.55 36.93 o -7 3 0 1151.64 1142.15 56.20 o -6 3 0 5899.13 5779.34 90.15 o -5 3 0 409.98 395.19 28.60 o -4 3 0 2.22 -16.11 19.10 o -3 3 0 6104.66 6256.78 74.79 o -2 3 0 937.56 891.67 34.26 o -1 3 0 4900.58 4944.38 65.42 o 0 3 0 1241.70 1149.10 34.30 o 1 3 0 2697.08 2661.43 51.95 o 2 3 0 1724.05 1688.33 50.59 o 3 3 0 25528.69 25420.29 247.10 o 4 3 0 4313.31 3959.55 62.88 o 5 3 0 84.39 64.15 20.65 o 6 3 0 2285.40 2167.81 43.90 o 7 3 0 10917.53 11204.23 110.07 o 8 3 0 754.57 786.66 44.03 o 9 3 0 1295.50 1316.79 59.40 o 10 3 0 125.97 109.78 55.80 o 11 3 0 697.60 645.72 61.52 o 12 3 0 3896.42 4089.19 145.27 o -10 4 0 2220.65 1986.07 173.92 o -9 4 0 41.17 85.64 45.10 o -8 4 0 4.27 83.29 41.40 o -7 4 0 9271.13 9865.76 146.57 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