data_2240364 _cell_angle_alpha 90.000 _cell_angle_beta 97.370 _cell_angle_gamma 90.000 _cell_length_a 9.3995 _cell_length_b 6.9162 _cell_length_c 17.9668 _exptl_crystal_F_000 696.00 _reflns_d_resolution_high 0.7018 _[local]_cod_data_source_file cv5480Isup2.hkl _[local]_cod_data_source_block I _shelx_title ' Bel_Hasan_0m in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 238.96 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' 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 13755.57 13662.27 218.77 o 4 0 0 24.88 36.87 21.62 o 6 0 0 5083.73 5014.71 218.66 o 8 0 0 1850.26 1797.10 143.91 o 10 0 0 75.19 41.02 88.34 o 12 0 0 16.09 4.67 103.23 o 1 1 0 1443.87 1419.91 28.51 o 2 1 0 5.66 -8.12 8.12 o 3 1 0 3461.13 3598.43 64.20 o 4 1 0 3145.75 3251.08 67.99 o 5 1 0 140.95 168.63 25.35 o 6 1 0 471.44 495.49 40.35 o 7 1 0 212.33 244.09 44.53 o 8 1 0 101.82 106.60 52.39 o 9 1 0 617.19 679.50 120.80 o 10 1 0 41.71 71.88 71.71 o 11 1 0 75.40 103.96 75.31 o 12 1 0 26.81 -50.41 96.17 o 13 1 0 1.93 169.10 84.23 o 1 2 0 28295.02 28775.60 519.97 o 2 2 0 1281.07 1330.84 30.98 o 3 2 0 11446.64 11083.36 140.55 o 4 2 0 2569.89 2531.45 61.81 o 5 2 0 7610.51 7951.84 128.90 o 6 2 0 936.80 892.14 51.61 o 7 2 0 162.68 159.29 42.93 o 8 2 0 0.27 -30.99 33.02 o 9 2 0 235.33 189.37 57.97 o 10 2 0 12.46 -60.60 60.60 o 11 2 0 161.06 121.95 72.08 o 12 2 0 2.23 96.34 135.61 o 1 3 0 2614.66 2630.92 60.84 o 2 3 0 10.07 8.71 13.49 o 3 3 0 137.29 147.31 16.70 o 4 3 0 479.73 436.49 29.69 o 5 3 0 1860.38 1818.94 56.42 o 6 3 0 128.08 150.05 29.72 o 7 3 0 193.27 112.32 30.37 o 8 3 0 44.82 34.30 33.27 o 9 3 0 4.42 47.74 53.93 o 10 3 0 5.48 -66.45 99.41 o 11 3 0 0.04 25.99 105.00 o 12 3 0 46.76 33.55 119.74 o 0 4 0 144.60 133.84 25.26 o 1 4 0 691.10 698.32 45.41 o 2 4 0 390.77 416.39 49.78 o 3 4 0 1663.23 1736.87 113.11 o 4 4 0 302.47 322.11 24.10 o 5 4 0 132.09 182.31 27.32 o 6 4 0 231.43 224.93 35.88 o 7 4 0 3.15 62.04 24.14 o 8 4 0 345.96 173.91 109.09 o 9 4 0 48.92 96.46 112.18 o 10 4 0 63.23 134.46 131.85 o 11 4 0 2.47 -27.44 117.53 o 12 4 0 0.02 206.67 150.12 o 1 5 0 681.12 630.36 63.62 o 2 5 0 314.52 311.47 44.43 o 3 5 0 14.36 14.69 22.62 o 4 5 0 730.88 803.28 61.92 o 5 5 0 231.51 184.25 38.53 o 6 5 0 1.74 -33.79 33.79 o 7 5 0 107.21 117.15 48.90 o 8 5 0 73.64 -12.06 95.43 o 9 5 0 12.05 -29.21 104.84 o 10 5 0 9.35 193.41 142.07 o 11 5 0 6.00 -98.91 98.91 o 1 6 0 183.29 159.94 37.73 o 2 6 0 427.60 415.14 63.70 o 3 6 0 0.33 -29.15 39.75 o 4 6 0 34.39 -1.06 49.19 o 5 6 0 1.88 45.89 70.67 o 6 6 0 10.08 41.52 76.74 o 7 6 0 92.01 150.25 101.04 o 8 6 0 92.49 -32.83 88.59 o 9 6 0 5.76 64.28 110.41 o 10 6 0 9.52 15.98 120.59 o 4 7 0 87.57 131.26 64.06 o 5 7 0 2.36 11.52 65.45 o 6 7 0 13.52 -56.35 79.84 o 7 7 0 36.47 102.90 110.18 o 8 7 0 10.85 -57.42 103.46 o 9 7 0 6.40 -89.02 89.02 o -13 0 1 0.88 -4.12 108.15 o -11 0 1 146.33 196.51 126.48 o -9 0 1 333.32 304.24 115.88 o -7 0 1 1369.55 1587.99 129.16 o -5 0 1 31.11 62.65 27.61 o -3 0 1 33804.56 34031.16 512.32 o -1 0 1 3402.63 3850.81 88.79 o 1 0 1 20.55 2.51 12.14 o 3 0 1 25289.82 25907.24 403.52 o 5 0 1 9816.48 9336.92 203.44 o 7 0 1 488.47 566.85 83.91 o 9 0 1 228.45 54.46 97.81 o 11 0 1 95.82 43.86 104.96 o 13 0 1 34.92 -21.61 78.19 o -13 1 1 18.06 104.54 81.79 o -12 1 1 57.71 31.54 74.97 o -11 1 1 34.70 -62.60 66.52 o -10 1 1 257.58 251.66 86.19 o -9 1 1 228.79 264.23 77.94 o -8 1 1 10.32 -13.04 33.77 o -7 1 1 467.29 386.98 51.75 o -6 1 1 952.73 1049.97 55.38 o -5 1 1 21.64 8.77 20.61 o -4 1 1 23.09 7.00 14.69 o -3 1 1 71.69 75.19 14.62 o -2 1 1 129.77 144.68 13.26 o -1 1 1 5432.65 5446.57 86.80 o 0 1 1 183.01 174.54 11.71 o 1 1 1 213.38 252.60 10.59 o 2 1 1 2053.87 2052.83 40.07 o 3 1 1 16.99 25.87 12.17 o 4 1 1 576.44 635.68 35.59 o 5 1 1 888.54 909.53 47.19 o 6 1 1 2592.71 2725.90 75.83 o 7 1 1 42.03 -25.96 32.74 o 8 1 1 957.34 984.56 81.08 o 9 1 1 104.67 129.73 79.26 o 10 1 1 13.33 -26.89 59.67 o 11 1 1 88.38 112.74 81.60 o 12 1 1 30.74 20.65 69.69 o 13 1 1 9.73 -6.58 59.73 o -13 2 1 2.10 -7.19 123.83 o -12 2 1 25.39 14.50 65.68 o -11 2 1 2.05 57.30 89.95 o -10 2 1 7.30 -37.42 59.83 o -9 2 1 248.29 212.63 56.70 o -8 2 1 594.55 680.71 68.86 o -7 2 1 257.17 216.48 44.14 o -6 2 1 3762.37 3987.23 91.93 o -5 2 1 1500.45 1614.51 54.76 o -4 2 1 4694.84 4734.49 84.50 o -3 2 1 6445.09 6407.02 93.68 o -2 2 1 1538.18 1608.54 34.60 o -1 2 1 22007.71 22234.10 277.12 o 0 2 1 1906.42 1725.33 41.12 o 1 2 1 768.32 745.56 32.14 o 2 2 1 16384.81 16393.03 181.84 o 3 2 1 4781.39 4744.95 77.24 o 4 2 1 226.49 198.21 22.85 o 5 2 1 148.92 130.79 23.47 o 6 2 1 1228.96 1258.95 60.98 o 7 2 1 174.70 137.63 62.37 o 8 2 1 1148.27 1165.58 159.45 o 9 2 1 11.49 -49.32 49.32 o 10 2 1 238.45 181.23 68.30 o 11 2 1 1.87 100.64 176.62 o 12 2 1 4.36 -57.10 57.10 o -12 3 1 2.50 124.96 125.47 o -11 3 1 3.48 84.24 109.72 o -10 3 1 130.47 -12.04 108.34 o -9 3 1 3.91 -37.35 37.35 o -8 3 1 327.47 214.88 52.48 o -7 3 1 140.64 65.70 30.65 o -6 3 1 77.61 21.49 25.82 o -5 3 1 90.68 101.86 21.93 o -4 3 1 265.29 247.13 24.66 o -3 3 1 281.18 315.46 21.43 o -2 3 1 4744.58 4804.34 86.99 o -1 3 1 2.22 3.61 11.42 o 0 3 1 27.07 60.19 13.37 o 1 3 1 944.60 966.41 55.14 o 2 3 1 3229.99 3092.59 82.25 o 3 3 1 1217.60 1202.65 35.19 o 4 3 1 545.29 573.35 33.62 o 5 3 1 1168.73 1264.77 50.20 o 6 3 1 33.24 29.51 23.62 o 7 3 1 9.59 45.37 25.28 o 8 3 1 4.64 30.07 45.85 o 9 3 1 149.86 94.25 45.76 o 10 3 1 0.64 96.74 116.62 o 11 3 1 44.91 -63.38 85.72 o 12 3 1 0.54 80.47 125.86 o -12 4 1 6.76 -46.80 122.92 o -11 4 1 55.45 205.11 137.26 o -10 4 1 4.51 -87.06 87.06 o -9 4 1 197.99 278.97 131.09 o -8 4 1 193.24 153.51 62.41 o -7 4 1 52.95 73.62 34.93 o -6 4 1 1298.40 1414.01 85.85 o -5 4 1 1720.06 1915.67 62.99 o -4 4 1 300.01 266.76 23.46 o -3 4 1 1130.75 1119.61 39.01 o -2 4 1 100.54 149.19 19.76 o -1 4 1 1273.31 1397.50 50.15 o 0 4 1 5327.16 5194.09 168.23 o 1 4 1 4436.57 4524.71 115.81 o 2 4 1 2889.03 3067.27 85.48 o 3 4 1 104.25 55.24 17.98 o 4 4 1 107.95 197.93 27.30 o 5 4 1 631.16 664.49 44.01 o 6 4 1 183.61 156.73 31.18 o 7 4 1 261.03 326.61 44.41 o 8 4 1 82.65 27.39 87.44 o 9 4 1 54.87 215.36 119.99 o 10 4 1 31.31 92.20 128.66 o 11 4 1 62.19 24.32 123.16 o 12 4 1 0.96 25.18 111.50 o -11 5 1 15.52 29.38 122.14 o -10 5 1 3.19 -102.18 102.18 o -9 5 1 15.84 -82.95 82.95 o -8 5 1 38.65 131.64 102.27 o -7 5 1 134.90 272.03 60.22 o -6 5 1 115.87 155.19 45.89 o -5 5 1 397.15 411.62 49.27 o -4 5 1 101.29 50.63 20.34 o -3 5 1 75.94 82.02 25.17 o -2 5 1 1324.99 1300.79 43.08 o -1 5 1 472.82 496.20 34.97 o 0 5 1 550.76 636.91 56.15 o 1 5 1 941.75 928.19 52.18 o 2 5 1 208.76 144.20 26.75 o 3 5 1 19.80 44.71 38.06 o 4 5 1 406.97 351.20 51.80 o 5 5 1 52.95 26.66 28.96 o 6 5 1 131.11 250.56 60.72 o 7 5 1 80.88 160.66 77.67 o 8 5 1 0.20 30.92 94.86 o 9 5 1 19.60 -4.17 95.93 o 10 5 1 1.52 -102.62 107.80 o 11 5 1 7.71 -57.15 118.94 o 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372.43 385.62 14.01 o 2 0 2 44127.07 42455.17 516.74 o 4 0 2 11391.78 10934.54 215.42 o 6 0 2 2.10 -24.54 24.54 o 8 0 2 1186.50 1044.19 117.01 o 10 0 2 163.67 170.18 104.52 o 12 0 2 160.34 268.87 129.51 o -13 1 2 15.68 62.92 74.20 o -12 1 2 0.09 112.78 80.61 o -11 1 2 21.33 23.16 73.64 o -10 1 2 30.14 82.42 71.78 o -9 1 2 63.53 85.47 70.56 o -8 1 2 105.77 167.55 45.52 o -7 1 2 348.49 380.16 49.72 o -6 1 2 437.75 530.97 55.47 o -5 1 2 304.31 379.33 32.27 o -4 1 2 506.02 558.71 35.43 o -3 1 2 4.52 -4.51 10.94 o -2 1 2 4171.33 4574.36 118.23 o -1 1 2 5550.87 5369.72 77.19 o 0 1 2 6941.71 6799.80 71.90 o 1 1 2 946.35 932.99 18.46 o 2 1 2 2074.66 1898.26 39.95 o 3 1 2 2972.75 3102.56 62.01 o 4 1 2 49.58 28.04 16.63 o 5 1 2 4140.90 4237.91 89.20 o 6 1 2 162.21 181.29 29.33 o 7 1 2 719.74 678.07 63.68 o 8 1 2 83.02 42.92 41.09 o 9 1 2 120.26 11.95 132.81 o 10 1 2 46.31 112.24 64.69 o 11 1 2 152.75 246.61 89.44 o 12 1 2 10.08 49.98 126.08 o 13 1 2 17.31 -0.63 72.95 o -13 2 2 4.10 -114.62 122.84 o -12 2 2 6.58 13.88 71.41 o -11 2 2 94.91 212.25 74.52 o -10 2 2 58.36 94.75 65.99 o -9 2 2 802.89 930.62 150.76 o -8 2 2 1.17 24.56 39.68 o -7 2 2 1224.86 1293.52 80.54 o -6 2 2 224.56 178.85 30.23 o -5 2 2 76.96 70.04 21.85 o -4 2 2 747.91 646.98 36.22 o -3 2 2 9447.31 9554.76 125.54 o -2 2 2 434.26 433.66 20.27 o -1 2 2 14305.02 13306.12 160.42 o 0 2 2 34216.30 32546.32 398.86 o 1 2 2 10688.63 10035.70 103.99 o 2 2 2 1727.10 1769.69 38.24 o 3 2 2 218.42 243.47 21.39 o 4 2 2 325.77 305.38 27.25 o 5 2 2 4985.76 4991.70 97.91 o 6 2 2 620.95 588.77 61.18 o 7 2 2 3661.26 3628.45 118.61 o 8 2 2 10.46 35.03 33.79 o 9 2 2 121.94 54.15 57.93 o 10 2 2 1.97 20.23 100.88 o 11 2 2 3.61 72.13 57.82 o 12 2 2 12.13 131.81 130.26 o -12 3 2 5.46 -35.64 106.39 o -11 3 2 17.82 -26.53 87.90 o -10 3 2 77.89 106.79 119.87 o -9 3 2 38.17 71.50 50.61 o -8 3 2 88.05 7.53 47.94 o -7 3 2 46.02 6.64 30.26 o -6 3 2 4.13 11.24 21.37 o -5 3 2 2463.99 2348.94 63.70 o -4 3 2 21.56 30.61 15.11 o -3 3 2 3025.99 2939.33 53.09 o -2 3 2 0.82 -8.40 8.40 o -1 3 2 453.86 500.43 22.36 o 0 3 2 4125.41 4051.68 72.12 o 1 3 2 6650.56 6505.95 127.46 o 2 3 2 2463.73 2406.02 59.56 o 3 3 2 1222.88 1284.34 37.53 o 4 3 2 427.69 466.75 31.21 o 5 3 2 257.40 228.64 27.58 o 6 3 2 31.87 31.89 19.34 o 7 3 2 174.79 99.45 45.84 o 8 3 2 810.91 859.74 84.18 o 9 3 2 0.42 24.12 57.43 o 10 3 2 83.67 77.87 106.09 o 11 3 2 3.58 5.71 104.87 o 12 3 2 0.14 -34.02 110.30 o -12 4 2 21.07 25.72 128.61 o -11 4 2 2.33 55.95 118.12 o -10 4 2 0.55 -85.51 85.51 o -9 4 2 146.68 97.54 106.98 o -8 4 2 286.24 223.27 94.62 o -7 4 2 213.36 227.71 38.77 o -6 4 2 228.18 274.11 36.95 o -5 4 2 35.69 78.05 22.78 o -4 4 2 44.78 72.00 16.35 o -3 4 2 532.31 543.89 28.69 o -2 4 2 59.25 58.33 15.22 o -1 4 2 2968.27 2754.12 76.71 o 0 4 2 1539.02 1651.29 145.35 o 1 4 2 1435.70 1379.72 54.42 o 2 4 2 1042.49 1021.56 52.51 o 3 4 2 474.22 464.14 47.86 o 4 4 2 2653.60 2594.58 67.36 o 5 4 2 864.82 945.57 53.78 o 6 4 2 935.99 916.32 62.64 o 7 4 2 57.92 0.18 36.21 o 8 4 2 79.69 52.65 97.39 o 9 4 2 2.33 -22.52 104.73 o 10 4 2 116.58 125.97 127.01 o 11 4 2 12.44 48.61 136.00 o -11 5 2 12.67 -114.95 114.95 o -10 5 2 16.50 -72.63 100.64 o -9 5 2 19.14 1.04 102.27 o -8 5 2 118.24 55.07 95.46 o -7 5 2 5.47 -26.26 43.16 o -6 5 2 18.74 7.73 40.51 o -5 5 2 398.69 338.50 46.70 o -4 5 2 270.51 316.64 41.79 o -3 5 2 369.31 358.84 31.08 o -2 5 2 1067.74 1092.30 39.29 o -1 5 2 152.08 123.04 22.70 o 0 5 2 865.00 753.83 76.99 o 1 5 2 448.42 462.32 37.85 o 2 5 2 76.51 62.67 31.66 o 3 5 2 277.55 330.97 39.26 o 4 5 2 539.11 522.16 82.63 o 5 5 2 2.45 -36.97 42.69 o 6 5 2 73.42 84.50 47.00 o 7 5 2 75.63 50.87 53.25 o 8 5 2 5.77 18.86 92.19 o 9 5 2 1.50 27.61 106.81 o 10 5 2 10.83 -37.81 106.17 o 11 5 2 3.82 19.55 128.12 o -10 6 2 3.16 -24.75 106.21 o -9 6 2 7.85 -85.56 85.56 o -8 6 2 10.33 -4.17 87.05 o -7 6 2 1.04 1.05 81.16 o -6 6 2 140.67 156.14 92.00 o -5 6 2 1.43 59.60 65.41 o -4 6 2 40.15 -34.38 50.24 o -3 6 2 32.42 55.65 47.17 o -2 6 2 6.85 5.25 20.86 o -1 6 2 56.81 46.22 31.87 o 0 6 2 5.35 -30.82 30.82 o 1 6 2 179.01 73.83 48.33 o 2 6 2 29.37 -15.92 42.98 o 3 6 2 103.06 75.22 61.45 o 4 6 2 160.89 180.76 71.35 o 5 6 2 10.76 -0.53 69.57 o 6 6 2 83.27 123.94 88.76 o 7 6 2 26.49 175.22 103.04 o 8 6 2 9.00 -42.69 93.18 o 9 6 2 32.10 -67.83 94.76 o 10 6 2 22.27 53.53 121.48 o -9 7 2 0.22 -91.12 91.12 o -8 7 2 27.51 -74.00 74.00 o -7 7 2 16.13 -76.42 76.42 o -6 7 2 39.25 110.12 81.94 o -5 7 2 11.16 54.98 67.55 o 3 7 2 32.17 25.77 51.54 o 4 7 2 36.56 47.22 69.78 o 5 7 2 0.24 0.00 63.83 o 6 7 2 0.82 96.97 92.80 o 7 7 2 1.10 29.60 84.63 o 8 7 2 0.89 34.62 97.16 o 9 7 2 6.13 118.74 108.46 o 7 8 2 10.45 -50.97 91.13 o -13 0 3 28.66 -44.82 103.55 o -11 0 3 0.14 -16.73 106.64 o -9 0 3 679.80 598.47 137.58 o -7 0 3 3821.21 3993.48 174.88 o -5 0 3 39.96 59.70 27.65 o -3 0 3 3063.03 3037.59 105.70 o -1 0 3 57103.08 53294.97 639.16 o 1 0 3 14952.84 14257.27 170.75 o 3 0 3 690.60 934.11 56.48 o 5 0 3 1617.80 1644.10 80.30 o 7 0 3 13.53 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