data_2240619
_cell_angle_alpha                80.856
_cell_angle_beta                 83.946
_cell_angle_gamma                86.587
_cell_length_a                   7.4757
_cell_length_b                   8.0857
_cell_length_c                   11.2846
_exptl_crystal_F_000             400.00
_reflns_d_resolution_high        0.8079
_cod_data_source_file            wm5136Isup2.hkl
_cod_data_source_block           I
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            148.53
_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
1 0 0 1288.20 616.73 111.34 o
2 0 0 7865.63 9211.83 448.65 o
3 0 0 1791.14 1789.77 102.96 o
4 0 0 616.89 1141.07 92.72 o
5 0 0 2601.60 2260.77 113.82 o
6 0 0 71.50 2797.91 5133.75 o
7 0 0 232.83 199.70 53.01 o
8 0 0 794.74 837.31 68.29 o
9 0 0 0.78 5.39 138.44 o
-8 1 0 411.98 477.24 60.25 o
-7 1 0 182.25 196.78 34.66 o
-6 1 0 183.56 170.98 39.19 o
-5 1 0 2863.72 2493.74 111.69 o
-4 1 0 736.76 384.10 49.33 o
-3 1 0 110.80 105.41 12.82 o
-2 1 0 4471.51 4806.04 197.12 o
-1 1 0 7568.41 7808.19 269.43 o
0 1 0 11766.91 13566.76 535.66 o
1 1 0 938.45 1112.91 38.48 o
2 1 0 690.84 657.91 27.47 o
3 1 0 5136.49 5294.15 197.42 o
4 1 0 1217.35 1323.99 188.87 o
5 1 0 3190.28 3125.76 347.43 o
6 1 0 782.52 -2095.22 4041.23 o
7 1 0 1458.19 1393.49 78.56 o
8 1 0 385.11 507.04 58.95 o
9 1 0 128.40 184.98 106.90 o
-8 2 0 377.22 479.19 47.04 o
-7 2 0 3.98 74.36 113.88 o
-6 2 0 389.44 368.34 29.08 o
-5 2 0 1447.28 1406.34 464.95 o
-4 2 0 120.08 435.94 279.12 o
-3 2 0 997.25 979.60 152.55 o
-2 2 0 221.02 242.92 42.55 o
-1 2 0 5241.17 5898.11 170.72 o
0 2 0 3654.72 4565.00 216.87 o
1 2 0 2541.56 3246.00 135.82 o
2 2 0 805.59 788.36 33.97 o
3 2 0 301.43 10.82 113.69 o
4 2 0 786.95 835.63 152.18 o
5 2 0 557.54 -552.19 2124.01 o
6 2 0 995.61 1154.07 66.01 o
7 2 0 592.90 561.56 61.38 o
8 2 0 43.70 58.46 23.05 o
9 2 0 124.63 127.75 100.67 o
-8 3 0 469.26 576.29 60.25 o
-7 3 0 118.60 -16.55 544.79 o
-6 3 0 1406.20 1426.65 95.20 o
-5 3 0 205.64 2828.94 4391.70 o
-4 3 0 1363.99 916.62 215.32 o
-3 3 0 3573.54 3572.20 191.61 o
-2 3 0 1998.56 2310.24 93.44 o
-1 3 0 6368.31 6652.92 242.33 o
0 3 0 3687.48 4436.62 162.48 o
1 3 0 3815.46 3721.13 160.60 o
2 3 0 3522.12 3429.41 166.17 o
3 3 0 362.22 407.73 105.83 o
4 3 0 1682.63 1957.82 101.56 o
5 3 0 155.24 133.76 17.13 o
6 3 0 1448.34 1546.92 85.55 o
7 3 0 220.11 184.27 33.85 o
8 3 0 62.28 89.91 35.20 o
-7 4 0 189.54 174.13 130.15 o
-6 4 0 358.93 481.85 144.48 o
-5 4 0 9.10 17.67 19.20 o
-4 4 0 1777.84 1985.49 523.78 o
-3 4 0 435.57 895.16 504.16 o
-2 4 0 9020.67 9438.67 433.89 o
-1 4 0 2932.48 2948.10 117.77 o
0 4 0 93.75 -205.86 205.86 o
1 4 0 5618.63 5294.65 287.04 o
2 4 0 184.43 150.23 39.86 o
3 4 0 1588.80 1538.94 74.25 o
4 4 0 1283.49 1253.80 56.13 o
5 4 0 140.14 147.06 22.43 o
6 4 0 3014.85 3066.01 157.47 o
7 4 0 237.66 311.37 37.63 o
8 4 0 40.55 18.01 20.52 o
-7 5 0 282.90 564.12 479.77 o
-6 5 0 134.98 202.16 40.01 o
-5 5 0 2.38 -1.62 94.04 o
-4 5 0 196.89 259.13 93.02 o
-3 5 0 8.68 39.65 985.40 o
-2 5 0 1235.14 1334.40 78.34 o
-1 5 0 749.80 861.10 110.85 o
0 5 0 74.26 101.25 17.65 o
1 5 0 3157.75 3010.20 201.76 o
2 5 0 79.69 72.49 13.94 o
3 5 0 1748.25 1826.64 76.94 o
4 5 0 27.87 15.81 12.85 o
5 5 0 1170.54 1150.79 67.93 o
6 5 0 1176.82 1172.15 74.70 o
7 5 0 36.09 5.54 19.06 o
8 5 0 278.54 217.84 80.94 o
-7 6 0 325.84 215.05 540.22 o
-6 6 0 124.16 31.42 268.75 o
-5 6 0 291.77 438.44 42.33 o
-4 6 0 697.12 609.17 51.26 o
-3 6 0 22.25 4.19 16.85 o
-2 6 0 3183.60 3424.53 184.32 o
-1 6 0 262.56 309.72 75.34 o
0 6 0 358.45 369.98 32.06 o
1 6 0 1330.24 1265.39 87.81 o
2 6 0 2.11 4.74 11.08 o
3 6 0 862.58 864.23 41.81 o
4 6 0 19.08 -4.46 12.19 o
5 6 0 60.53 68.99 20.28 o
6 6 0 244.59 192.66 25.82 o
7 6 0 14.82 -67.73 71.33 o
-6 7 0 93.01 -231.44 321.53 o
-5 7 0 507.93 595.04 256.04 o
-4 7 0 4.04 -11.62 193.66 o
-3 7 0 785.85 841.83 118.57 o
-2 7 0 2089.50 2450.36 333.29 o
-1 7 0 193.59 213.02 34.64 o
0 7 0 611.13 728.48 64.55 o
1 7 0 529.15 577.96 48.47 o
2 7 0 457.90 396.62 38.55 o
3 7 0 1453.08 1359.60 169.48 o
4 7 0 20.06 35.14 76.18 o
5 7 0 278.04 309.01 80.67 o
6 7 0 628.01 625.61 112.44 o
-5 8 0 20.25 359.34 315.33 o
-4 8 0 11.31 96.67 265.88 o
-3 8 0 459.40 489.38 274.37 o
-2 8 0 865.90 931.44 145.28 o
-1 8 0 418.07 368.10 38.63 o
0 8 0 504.25 493.23 208.83 o
1 8 0 0.07 -23.67 23.67 o
2 8 0 1625.46 1530.05 111.13 o
3 8 0 93.34 60.45 29.10 o
-3 9 0 389.27 538.36 410.22 o
-2 9 0 119.41 11.82 433.89 o
-1 9 0 214.92 142.59 494.80 o
1 9 0 3.34 37.22 22.19 o
2 9 0 113.54 164.68 37.08 o
0 -9 1 386.45 338.69 43.36 o
1 -9 1 80.63 429.32 663.86 o
2 -9 1 91.10 148.30 82.42 o
3 -9 1 11.33 343.30 474.15 o
-2 -8 1 29.11 61.03 29.22 o
-1 -8 1 647.33 582.31 65.81 o
0 -8 1 525.61 473.34 45.95 o
1 -8 1 115.04 314.28 331.41 o
2 -8 1 323.60 295.64 306.30 o
3 -8 1 1.26 214.93 309.59 o
4 -8 1 250.80 148.57 36.69 o
-6 -7 1 31.82 105.63 77.46 o
-5 -7 1 153.09 113.00 44.21 o
-4 -7 1 666.89 698.15 99.17 o
-3 -7 1 747.78 671.70 38.82 o
-2 -7 1 683.95 657.79 38.82 o
-1 -7 1 1477.85 1365.65 99.12 o
0 -7 1 244.39 244.08 27.49 o
1 -7 1 1638.60 1546.08 311.78 o
2 -7 1 698.98 611.23 50.80 o
3 -7 1 1106.25 1531.72 309.44 o
4 -7 1 808.24 891.03 256.27 o
5 -7 1 30.19 123.33 256.74 o
6 -7 1 247.33 -213.81 348.11 o
-7 -6 1 108.27 202.07 82.76 o
-6 -6 1 3.70 -22.23 27.99 o
-5 -6 1 325.23 442.26 48.09 o
-4 -6 1 777.08 812.74 55.41 o
-3 -6 1 64.96 39.64 13.24 o
-2 -6 1 3629.12 3513.16 171.79 o
-1 -6 1 82.71 126.12 17.71 o
0 -6 1 83.75 99.82 20.77 o
1 -6 1 495.50 467.33 42.01 o
2 -6 1 518.58 460.74 41.34 o
3 -6 1 1858.79 1878.43 117.00 o
4 -6 1 149.64 69.37 26.57 o
5 -6 1 4.46 -56.73 194.82 o
6 -6 1 623.99 307.69 289.56 o
7 -6 1 4.98 104.89 577.34 o
-7 -5 1 556.83 682.64 50.72 o
-6 -5 1 5.34 -33.32 33.32 o
-5 -5 1 320.45 320.67 32.89 o
-4 -5 1 745.51 777.52 51.05 o
-3 -5 1 56.33 51.56 10.59 o
-2 -5 1 4703.75 4708.27 322.88 o
-1 -5 1 646.90 600.39 42.57 o
0 -5 1 297.33 315.68 27.51 o
1 -5 1 1082.56 1117.96 164.32 o
2 -5 1 626.96 690.74 1092.85 o
3 -5 1 1954.98 1822.25 815.72 o
4 -5 1 41.72 64.70 34.35 o
5 -5 1 242.87 214.52 146.58 o
6 -5 1 562.27 148.40 262.51 o
7 -5 1 43.98 -153.05 494.03 o
-8 -4 1 17.63 -3.01 47.37 o
-7 -4 1 451.12 506.76 58.31 o
-6 -4 1 0.75 -2.40 17.48 o
-5 -4 1 594.62 621.73 44.29 o
-4 -4 1 1163.58 1334.42 97.53 o
-3 -4 1 2245.78 2270.70 91.13 o
-2 -4 1 14170.32 14165.52 966.20 o
-1 -4 1 62.54 -128.33 191.14 o
0 -4 1 3306.15 3254.87 120.04 o
1 -4 1 1793.61 1621.08 85.09 o
3 -4 1 3378.63 3387.80 518.67 o
4 -4 1 18.78 -10.35 186.44 o
5 -4 1 1043.21 983.26 50.12 o
6 -4 1 748.20 936.13 123.43 o
7 -4 1 97.15 143.96 81.52 o
-8 -3 1 122.95 133.89 21.39 o
-7 -3 1 210.91 203.66 32.51 o
-6 -3 1 211.80 267.70 28.67 o
-5 -3 1 750.74 780.54 50.09 o
-4 -3 1 325.79 320.01 31.42 o
-3 -3 1 2775.12 2757.24 109.63 o
-2 -3 1 2671.26 2366.73 238.53 o
-1 -3 1 1589.69 1538.35 72.80 o
0 -3 1 926.76 769.67 60.92 o
1 -3 1 0.69 22.16 59.63 o
2 -3 1 5451.15 5446.57 234.14 o
3 -3 1 3812.00 3261.39 197.98 o
4 -3 1 1967.26 2007.43 401.95 o
5 -3 1 1973.92 1921.09 649.05 o
6 -3 1 342.83 -63.93 211.44 o
7 -3 1 552.58 476.49 389.18 o
8 -3 1 137.51 279.45 40.49 o
-8 -2 1 110.83 121.22 20.74 o
-7 -2 1 244.37 205.44 24.14 o
-6 -2 1 391.90 388.59 78.46 o
-5 -2 1 1327.53 1468.27 146.01 o
-4 -2 1 375.66 59.21 421.30 o
-3 -2 1 2489.41 2340.59 286.85 o
-2 -2 1 2417.30 2569.74 91.92 o
-1 -2 1 1075.57 824.92 80.89 o
0 -2 1 2464.18 2925.08 123.45 o
1 -2 1 188.32 89.13 20.90 o
2 -2 1 2185.31 2150.04 85.93 o
3 -2 1 235.54 248.09 60.27 o
4 -2 1 3298.72 2873.05 154.02 o
5 -2 1 731.17 804.02 42.02 o
6 -2 1 16.36 45.08 15.58 o
7 -2 1 638.89 646.78 46.56 o
8 -2 1 30.19 1.12 19.41 o
-9 -1 1 156.02 143.68 114.23 o
-8 -1 1 231.45 212.84 44.62 o
-7 -1 1 5.04 35.01 17.28 o
-6 -1 1 1679.43 -600.35 4347.30 o
-5 -1 1 778.38 758.85 280.16 o
-4 -1 1 2319.67 2145.22 148.86 o
-3 -1 1 9548.39 9894.06 322.05 o
-2 -1 1 8328.87 10473.38 422.53 o
-1 -1 1 7239.01 7639.72 236.55 o
0 -1 1 6099.27 7176.93 285.72 o
1 -1 1 2662.25 2593.38 106.73 o
2 -1 1 7840.38 9560.50 343.66 o
3 -1 1 1661.43 1673.89 100.97 o
4 -1 1 4570.65 4307.30 192.04 o
5 -1 1 231.37 221.74 60.25 o
6 -1 1 9.11 28.33 13.85 o
7 -1 1 109.93 134.88 21.91 o
8 -1 1 61.73 143.71 110.78 o
9 -1 1 135.46 258.41 217.76 o
-9 0 1 69.30 -6.63 225.66 o
-8 0 1 118.44 92.12 67.44 o
-7 0 1 28.69 37.34 14.31 o
-6 0 1 1849.21 -410.30 4773.40 o
-5 0 1 1.14 -13.78 233.70 o
-4 0 1 13902.38 12731.67 567.40 o
-3 0 1 2467.19 2491.02 124.40 o
-2 0 1 4999.40 4699.91 234.58 o
-1 0 1 9720.18 11030.32 458.13 o
1 0 1 5793.04 6401.79 196.25 o
2 0 1 1482.68 1629.96 54.54 o
3 0 1 737.49 685.75 63.71 o
4 0 1 8048.24 7916.91 287.98 o
5 0 1 625.40 377.13 111.77 o
6 0 1 885.60 7371.95 5766.15 o
7 0 1 435.03 490.98 80.89 o
8 0 1 113.73 120.53 29.00 o
9 0 1 273.94 283.82 130.58 o
-8 1 1 8.94 26.59 104.46 o
-7 1 1 110.07 20.69 84.12 o
-6 1 1 48.94 58.32 17.44 o
-5 1 1 21.08 78.66 127.02 o
-4 1 1 1609.77 1280.94 143.17 o
-3 1 1 14.48 81.05 64.14 o
-2 1 1 583.83 919.00 60.24 o
-1 1 1 15534.60 18282.56 624.00 o
0 1 1 139.83 83.07 5.91 o
1 1 1 22062.02 24771.69 634.99 o
2 1 1 88.87 62.69 8.46 o
3 1 1 2339.96 2269.26 120.38 o
4 1 1 4815.20 4568.61 280.22 o
5 1 1 1190.08 1173.66 531.50 o
6 1 1 1239.86 1177.22 899.01 o
7 1 1 33.24 43.52 19.39 o
8 1 1 473.37 531.69 110.78 o
9 1 1 313.89 398.21 113.26 o
-8 2 1 2.26 -23.56 23.56 o
-7 2 1 420.22 439.47 40.26 o
-6 2 1 878.53 832.47 55.87 o
-5 2 1 861.06 -1624.48 2412.76 o
-4 2 1 4457.50 3944.87 186.03 o
-3 2 1 314.63 197.86 45.45 o
-2 2 1 51.01 103.52 47.11 o
-1 2 1 3073.91 3421.90 110.65 o
0 2 1 8117.56 8035.74 276.89 o
1 2 1 4480.82 4813.31 167.05 o
2 2 1 21.72 5.34 12.56 o
3 2 1 103.53 101.17 17.47 o
4 2 1 2445.07 2349.10 115.74 o
5 2 1 814.14 938.22 667.85 o
6 2 1 30.24 55.06 864.57 o
7 2 1 36.82 101.36 58.20 o
8 2 1 376.54 329.70 34.99 o
9 2 1 67.99 98.38 91.56 o
-8 3 1 198.39 66.22 35.61 o
-7 3 1 305.07 374.87 218.11 o
-6 3 1 5.11 107.56 203.85 o
-5 3 1 2970.00 2800.92 531.01 o
-4 3 1 3174.99 2927.08 188.47 o
-3 3 1 405.69 151.77 49.61 o
-2 3 1 2407.65 2752.33 93.36 o
-1 3 1 23.53 89.52 106.89 o
0 3 1 20809.30 22212.96 881.25 o
1 3 1 1464.18 1445.10 62.60 o
2 3 1 1070.63 1175.25 58.28 o
3 3 1 3648.75 3535.79 136.62 o
4 3 1 3034.98 3203.55 216.54 o
5 3 1 772.04 886.41 69.49 o
6 3 1 118.32 76.35 30.03 o
7 3 1 80.69 64.79 33.36 o
8 3 1 350.37 343.53 55.33 o
-7 4 1 86.39 631.04 448.46 o
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-3 4 1 545.52 587.74 45.79 o
-2 4 1 602.67 1072.18 105.86 o
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0 4 1 7542.52 8456.69 431.65 o
1 4 1 26.72 257.17 187.61 o
2 4 1 9410.36 10071.74 353.81 o
3 4 1 4935.64 4925.30 247.42 o
4 4 1 12.91 76.06 216.66 o
5 4 1 2904.84 3044.40 154.21 o
6 4 1 7.60 17.57 14.75 o
7 4 1 702.09 666.61 48.07 o
8 4 1 223.50 196.44 24.61 o
-7 5 1 52.63 242.70 381.25 o
-6 5 1 125.25 171.38 48.18 o
-5 5 1 703.25 721.25 55.02 o
-4 5 1 644.45 10956.78 8822.92 o
-3 5 1 1038.60 1087.38 453.41 o
-2 5 1 168.81 355.53 236.95 o
-1 5 1 565.61 715.47 138.27 o
0 5 1 539.15 589.18 45.56 o
1 5 1 404.98 504.39 26.61 o
2 5 1 3120.42 3112.80 137.83 o
3 5 1 191.40 192.44 33.50 o
4 5 1 145.91 170.70 58.63 o
5 5 1 931.19 905.78 55.42 o
6 5 1 394.39 399.90 34.36 o
7 5 1 613.85 551.20 44.37 o
8 5 1 51.07 73.97 85.86 o
-7 6 1 1.16 -494.65 542.54 o
-6 6 1 661.23 662.00 59.82 o
-5 6 1 494.20 576.44 53.66 o
-4 6 1 3.38 75.15 20.42 o
-3 6 1 1465.45 1513.47 94.03 o
-2 6 1 0.70 10.39 33.67 o
-1 6 1 400.19 383.83 32.82 o
0 6 1 720.54 865.50 63.89 o
1 6 1 92.76 91.05 120.31 o
2 6 1 1991.13 1936.33 131.71 o
3 6 1 323.21 299.53 66.91 o
4 6 1 10.74 7.94 29.52 o
5 6 1 278.92 225.48 33.11 o
6 6 1 294.88 249.61 36.87 o
7 6 1 275.10 215.27 32.33 o
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-5 7 1 50.08 168.67 52.21 o
-4 7 1 278.40 225.58 34.85 o
-3 7 1 685.53 728.29 176.77 o
-2 7 1 264.11 391.66 126.96 o
-1 7 1 1206.06 1341.06 184.42 o
0 7 1 129.37 352.02 153.75 o
1 7 1 1950.31 2028.84 434.84 o
2 7 1 3369.61 3235.74 268.09 o
3 7 1 56.18 70.56 19.02 o
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5 7 1 3.50 -62.58 79.70 o
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0 9 1 23.28 -17.17 30.80 o
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0 -9 2 353.75 406.38 44.09 o
1 -9 2 271.81 23.02 903.43 o
2 -9 2 10.56 537.08 674.98 o
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0 -8 2 819.38 663.10 226.65 o
1 -8 2 1164.75 864.78 142.57 o
2 -8 2 5.79 -10.52 44.56 o
3 -8 2 405.96 344.85 47.99 o
4 -8 2 90.73 -239.57 352.76 o
-6 -7 2 12.98 -72.54 78.39 o
-5 -7 2 758.50 792.10 117.99 o
-4 -7 2 415.48 465.41 50.86 o
-3 -7 2 828.21 845.59 63.38 o
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0 -7 2 2721.31 2410.08 191.93 o
1 -7 2 224.28 205.81 175.06 o
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3 -7 2 607.30 743.17 264.92 o
4 -7 2 16.33 65.22 78.11 o
5 -7 2 451.74 390.62 46.46 o
-7 -6 2 45.50 113.10 70.64 o
-6 -6 2 357.36 406.77 74.39 o
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-3 -6 2 213.94 263.37 32.24 o
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0 -6 2 1155.39 1498.05 237.95 o
1 -6 2 0.27 13.10 20.21 o
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3 -6 2 292.05 16.93 147.47 o
4 -6 2 221.89 426.14 194.90 o
5 -6 2 130.25 127.93 34.91 o
6 -6 2 100.72 34.99 318.93 o
-7 -5 2 61.67 95.63 23.21 o
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-5 -5 2 910.79 1019.50 69.84 o
-4 -5 2 173.76 139.22 24.53 o
-3 -5 2 2937.67 3150.35 154.67 o
-2 -5 2 207.89 168.29 13.52 o
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0 -5 2 1320.67 1395.98 144.55 o
1 -5 2 101.01 1288.58 1428.85 o
2 -5 2 3736.34 3692.10 194.07 o
3 -5 2 3.31 1632.62 5076.09 o
4 -5 2 112.81 116.11 44.15 o
5 -5 2 88.89 56.89 44.29 o
6 -5 2 150.47 157.50 92.88 o
7 -5 2 313.44 -460.86 536.81 o
-8 -4 2 377.94 386.04 80.28 o
-7 -4 2 67.07 98.23 21.48 o
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-5 -4 2 12.22 55.25 31.70 o
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0 -4 2 1592.31 1342.66 76.13 o
1 -4 2 1516.50 1802.48 304.33 o
2 -4 2 6446.60 5409.16 261.56 o
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