data_2240178 _cell_angle_alpha 74.643 _cell_angle_beta 69.700 _cell_angle_gamma 77.283 _cell_length_a 9.4479 _cell_length_b 11.0215 _cell_length_c 13.2590 _exptl_crystal_F_000 736.00 _reflns_d_resolution_high 0.8181 _[local]_cod_data_source_file zl2606Isup2.hkl _[local]_cod_data_source_block I _shelx_title ' futei2a in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 258.83 _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 0 900.71 906.06 35.66 o 3 0 0 2175.82 2196.92 71.92 o 4 0 0 15961.01 15616.37 521.80 o 5 0 0 6541.84 6575.20 220.10 o 6 0 0 8660.24 8668.13 259.83 o 7 0 0 7725.15 8044.78 288.54 o 8 0 0 965.28 1061.39 51.22 o 9 0 0 1442.62 1330.92 49.71 o 10 0 0 1347.29 1236.95 125.33 o -10 1 0 13.64 -78.30 78.30 o -9 1 0 246.46 256.33 40.42 o -8 1 0 22.11 -7.20 49.15 o -7 1 0 783.67 781.60 97.84 o -6 1 0 2287.74 2309.71 83.72 o -5 1 0 661.99 689.80 32.48 o -4 1 0 4117.16 4133.58 145.99 o -3 1 0 1249.63 1259.34 43.74 o -2 1 0 3.97 12.85 13.58 o -1 1 0 18072.13 17347.82 606.87 o 2 1 0 7149.72 6945.57 254.27 o 3 1 0 7966.29 7760.13 288.80 o 4 1 0 33619.20 35762.87 1230.57 o 5 1 0 13426.16 13566.42 534.38 o 6 1 0 1615.08 1626.01 61.25 o 7 1 0 901.27 1027.68 49.90 o 8 1 0 2946.07 2960.46 110.25 o 9 1 0 455.65 473.54 33.29 o 10 1 0 501.16 509.92 48.27 o -10 2 0 2682.60 2349.47 163.76 o -9 2 0 110.56 105.81 26.76 o -8 2 0 21.14 50.21 36.20 o -7 2 0 3342.66 3210.67 110.70 o -6 2 0 2256.48 2338.24 84.96 o -5 2 0 2229.34 2340.00 78.38 o -4 2 0 14584.71 14538.03 444.45 o -3 2 0 951.45 897.77 34.68 o -2 2 0 9403.89 9166.90 267.04 o -1 2 0 8155.02 8315.44 179.98 o 0 2 0 2192.48 2074.16 47.63 o 1 2 0 1416.18 1396.04 102.97 o 2 2 0 18963.49 20100.82 601.30 o 3 2 0 18038.36 18375.57 590.03 o 4 2 0 2063.76 2073.84 77.61 o 5 2 0 4650.14 4771.63 141.63 o 6 2 0 9385.21 9334.53 360.30 o 7 2 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34.62 o -1 4 0 461.33 542.63 20.49 o 0 4 0 10915.73 10196.97 286.11 o 1 4 0 243.60 223.10 13.15 o 2 4 0 635.28 638.49 25.66 o 3 4 0 190.78 217.49 17.83 o 4 4 0 9275.14 9472.46 316.87 o 5 4 0 246.37 275.75 22.92 o 6 4 0 8643.88 9179.62 303.94 o 7 4 0 3387.97 3315.32 104.73 o 8 4 0 187.05 220.45 30.29 o 9 4 0 93.46 73.12 29.28 o 10 4 0 2870.03 2738.30 222.75 o -9 5 0 699.46 792.76 89.57 o -8 5 0 2540.92 2192.24 179.70 o -7 5 0 306.54 321.93 57.94 o -6 5 0 27.25 32.72 23.13 o -5 5 0 8598.87 8816.44 179.03 o -4 5 0 18704.31 18723.72 401.52 o -3 5 0 3009.26 3004.10 76.10 o -2 5 0 503.93 571.55 23.69 o -1 5 0 3681.39 3443.30 77.13 o 0 5 0 8108.14 7678.50 286.71 o 1 5 0 97.75 82.42 11.07 o 2 5 0 6006.63 5537.94 221.29 o 3 5 0 3577.89 3494.91 106.16 o 4 5 0 1411.26 1658.70 375.58 o 5 5 0 3.89 3.33 32.57 o 6 5 0 1837.45 1825.45 58.23 o 7 5 0 18.70 22.13 21.67 o 8 5 0 122.45 174.32 31.26 o 9 5 0 2707.85 2576.42 87.60 o 10 5 0 634.42 486.92 62.71 o -8 6 0 2336.56 2527.03 106.64 o -7 6 0 1066.62 1048.97 110.93 o -6 6 0 1251.03 1272.18 53.41 o -5 6 0 7163.03 7325.67 256.65 o -4 6 0 20093.10 20500.88 526.93 o -3 6 0 2577.36 2873.95 85.31 o -2 6 0 1.72 15.29 12.18 o -1 6 0 8240.73 8114.91 176.89 o 0 6 0 32656.78 32246.64 832.53 o 1 6 0 5668.36 5455.04 233.95 o 2 6 0 11456.91 10593.92 759.40 o 3 6 0 497.91 502.47 26.07 o 4 6 0 5314.50 5106.58 171.69 o 5 6 0 98.77 170.74 20.32 o 6 6 0 5678.27 5712.51 206.49 o 7 6 0 2730.62 2805.67 148.56 o 8 6 0 1634.59 1768.24 71.07 o 9 6 0 3113.22 3234.56 119.51 o 10 6 0 35.11 -71.27 71.27 o -8 7 0 19.16 -20.60 59.45 o -7 7 0 295.41 361.48 65.67 o -6 7 0 129.51 82.53 28.67 o -5 7 0 76.11 75.65 24.98 o -4 7 0 2577.99 2874.28 82.14 o -3 7 0 1758.64 1800.77 58.81 o -2 7 0 273.45 343.76 21.86 o -1 7 0 2562.06 2572.99 63.11 o 0 7 0 18169.70 18159.21 473.35 o 1 7 0 6321.88 6222.38 235.17 o 2 7 0 0.11 13.72 13.43 o 3 7 0 1810.35 1896.17 70.46 o 4 7 0 4861.39 4770.52 139.04 o 5 7 0 840.81 838.58 35.48 o 6 7 0 606.14 573.01 33.48 o 7 7 0 997.43 1065.11 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