data_2019901 _cell_angle_alpha 90.179 _cell_angle_beta 96.892 _cell_angle_gamma 109.150 _cell_length_a 8.1530 _cell_length_b 9.8660 _cell_length_c 9.9690 _exptl_crystal_F_000 400.00 _reflns_d_resolution_high 0.7681 _[local]_cod_data_source_file ly3007Isup2.hkl _[local]_cod_data_source_block I _shelx_title ' X264c_WL' _shelx_refln_list_code 4 _shelx_f_calc_maximum 158.44 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_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 1 0 0 25104.44 17786.00 310.22 o 2 0 0 22630.37 24306.27 578.31 o 3 0 0 4609.35 3618.93 55.57 o 4 0 0 2348.54 2539.76 77.26 o 5 0 0 1091.89 922.82 41.90 o 6 0 0 2193.31 2389.37 79.05 o 7 0 0 519.77 462.26 40.57 o 8 0 0 539.49 476.05 47.40 o 9 0 0 54.33 36.94 17.17 o -10 1 0 19.88 34.93 23.78 o -9 1 0 112.50 70.46 13.55 o -8 1 0 153.44 143.57 16.48 o -7 1 0 671.55 679.82 43.79 o -6 1 0 1081.17 1157.30 46.71 o -5 1 0 1390.19 1429.75 56.32 o -4 1 0 7858.74 7628.98 117.29 o -3 1 0 2498.67 2370.45 52.43 o -2 1 0 9580.63 10085.42 185.39 o -1 1 0 8813.56 7448.18 126.04 o 1 1 0 6945.73 6727.55 79.73 o 2 1 0 11688.81 11030.22 189.96 o 3 1 0 2537.07 2304.90 49.76 o 4 1 0 4862.95 4931.79 140.03 o 5 1 0 715.92 634.15 38.76 o 6 1 0 1559.83 1698.43 80.82 o 7 1 0 95.71 52.52 22.26 o 8 1 0 329.39 301.34 33.01 o 9 1 0 17.77 -4.10 13.75 o -10 2 0 4.98 -3.17 24.30 o -9 2 0 132.83 147.90 31.02 o -8 2 0 98.82 79.73 16.90 o -7 2 0 376.24 414.87 32.81 o -6 2 0 427.43 437.53 29.34 o -5 2 0 1359.06 1397.27 58.29 o -4 2 0 436.56 470.35 24.23 o -3 2 0 4895.85 5148.29 106.02 o -2 2 0 890.79 822.85 17.09 o -1 2 0 5849.41 5717.73 68.38 o 0 2 0 4240.10 4326.62 60.68 o 1 2 0 2034.76 1937.91 40.92 o 2 2 0 4041.02 4196.03 63.05 o 3 2 0 1463.41 1382.95 43.75 o 4 2 0 1393.91 1394.37 78.17 o 5 2 0 709.25 639.26 61.01 o 6 2 0 347.28 306.68 37.28 o 7 2 0 153.72 221.96 27.83 o 8 2 0 82.98 39.39 39.50 o 9 2 0 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702.72 54.01 o 2 6 0 574.32 645.70 62.30 o 3 6 0 374.01 439.33 34.04 o 4 6 0 394.44 392.69 41.88 o 5 6 0 104.90 59.14 27.73 o 6 6 0 122.93 188.58 50.73 o 7 6 0 31.85 -7.65 20.70 o -10 7 0 52.75 96.58 28.39 o -9 7 0 35.39 72.81 18.40 o -8 7 0 249.88 342.11 50.08 o -7 7 0 59.32 61.42 11.39 o -6 7 0 435.67 413.06 43.79 o -5 7 0 76.91 32.58 10.90 o -4 7 0 330.94 354.02 26.14 o -3 7 0 154.29 142.91 10.64 o -2 7 0 162.95 195.68 17.46 o -1 7 0 76.26 87.94 8.62 o 0 7 0 592.92 650.90 35.49 o 1 7 0 38.81 32.07 8.02 o 2 7 0 587.85 685.36 56.58 o 3 7 0 73.88 39.93 13.03 o 4 7 0 192.88 248.74 32.33 o 5 7 0 51.19 24.57 27.07 o 6 7 0 49.44 52.82 35.71 o -9 8 0 138.25 140.64 40.85 o -8 8 0 203.77 269.09 37.24 o -7 8 0 286.49 326.72 42.55 o -6 8 0 132.73 35.98 12.38 o -5 8 0 504.32 545.66 56.01 o -4 8 0 1199.07 1152.15 60.55 o -3 8 0 1051.96 1182.77 44.22 o -2 8 0 2524.54 2403.32 77.94 o -1 8 0 751.64 855.62 52.96 o 0 8 0 468.62 425.38 27.79 o 1 8 0 250.43 313.40 34.68 o 2 8 0 281.88 339.33 34.16 o 3 8 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