data_2241286 _cell_angle_alpha 90.000 _cell_angle_beta 90.486 _cell_angle_gamma 90.000 _cell_length_a 7.5335 _cell_length_b 43.2456 _cell_length_c 9.3069 _exptl_crystal_F_000 1808.00 _reflns_d_resolution_high 0.8409 _cod_data_source_file rz5175Isup2.hkl _cod_data_source_block I _shelx_title ' imina1a in P2(1) LAST Corr con [E], MuxR = 0.5' _shelx_refln_list_code 4 _shelx_f_calc_maximum 457.21 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -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 -51 0 236.37 164.34 147.26 o 0 -50 0 66.77 154.21 192.59 o 1 -50 0 257.01 -55.72 170.96 o 2 -50 0 499.69 579.08 154.53 o 1 -49 0 314.82 199.65 139.98 o 2 -49 0 239.19 301.18 143.71 o 0 -48 0 1146.68 1069.69 214.92 o 1 -48 0 2151.14 2090.53 172.85 o 2 -48 0 0.22 37.25 134.19 o 3 -48 0 107.64 129.09 230.27 o 1 -47 0 15.01 256.97 129.85 o 2 -47 0 680.78 348.83 190.49 o 3 -47 0 84.72 170.27 144.62 o 0 -46 0 26.81 119.32 181.42 o 1 -46 0 231.81 170.88 139.90 o 2 -46 0 549.39 630.33 147.93 o 3 -46 0 1346.38 1512.72 327.26 o 4 -46 0 1279.17 1596.65 173.86 o 1 -45 0 478.11 397.41 137.76 o 2 -45 0 223.09 179.16 128.95 o 3 -45 0 831.29 727.33 152.35 o 4 -45 0 36.03 290.14 146.51 o 0 -44 0 6241.67 6936.61 295.86 o 1 -44 0 785.81 875.12 131.32 o 2 -44 0 386.41 608.07 137.31 o 3 -44 0 3.40 106.48 296.21 o 4 -44 0 175.49 223.35 157.35 o 1 -43 0 106.51 144.16 114.62 o 2 -43 0 579.44 668.59 132.38 o 3 -43 0 132.24 343.99 139.47 o 4 -43 0 566.24 431.23 300.04 o 0 -42 0 119.96 452.86 154.91 o 1 -42 0 343.48 509.38 177.93 o 2 -42 0 6.93 38.91 152.81 o 3 -42 0 10115.41 11223.71 247.87 o 4 -42 0 198.72 170.53 135.30 o 5 -42 0 1486.44 1740.78 499.96 o 1 -41 0 195.86 376.21 108.06 o 2 -41 0 219.56 201.09 121.43 o 3 -41 0 784.38 1088.57 281.55 o 4 -41 0 416.01 123.44 141.97 o 5 -41 0 276.78 664.84 206.89 o 0 -40 0 10269.63 10954.41 303.53 o 1 -40 0 142.68 263.06 152.81 o 2 -40 0 1633.07 1836.98 134.62 o 3 -40 0 419.06 269.51 124.35 o 4 -40 0 168.40 81.34 271.78 o 5 -40 0 454.19 610.56 160.75 o 1 -39 0 722.61 804.38 74.97 o 2 -39 0 1279.94 1536.80 147.93 o 3 -39 0 515.04 656.61 191.89 o 4 -39 0 456.90 91.86 133.12 o 5 -39 0 1774.32 1846.54 309.46 o 0 -38 0 503.85 426.34 111.64 o 1 -38 0 65.19 71.91 69.49 o 2 -38 0 1322.40 1468.22 127.03 o 3 -38 0 9091.98 9796.32 216.34 o 4 -38 0 622.14 262.36 209.33 o 5 -38 0 1634.07 1645.14 440.30 o 6 -38 0 49.71 -16.61 151.12 o 1 -37 0 68.01 172.26 71.92 o 2 -37 0 5061.38 4987.99 117.69 o 3 -37 0 1022.15 1323.03 131.77 o 4 -37 0 898.08 799.71 239.34 o 5 -37 0 4.10 -96.31 311.56 o 6 -37 0 198.36 240.58 158.74 o 0 -36 0 6187.01 6307.91 199.56 o 1 -36 0 7753.25 8314.42 249.46 o 2 -36 0 2941.66 3147.83 104.31 o 3 -36 0 172.01 173.90 106.07 o 4 -36 0 23.26 127.95 113.82 o 5 -36 0 1969.87 2472.88 331.79 o 6 -36 0 839.49 1227.39 224.68 o 1 -35 0 3931.19 4081.65 161.88 o 2 -35 0 20.32 207.94 111.64 o 3 -35 0 1320.98 1300.88 88.12 o 4 -35 0 154.12 51.79 127.73 o 5 -35 0 4834.06 4913.41 210.03 o 6 -35 0 198.23 294.87 150.69 o 0 -34 0 573.08 594.51 103.97 o 1 -34 0 78.24 192.49 95.60 o 2 -34 0 6023.61 6263.90 135.41 o 3 -34 0 7228.16 7531.33 200.88 o 4 -34 0 10207.16 10556.71 421.81 o 5 -34 0 650.20 631.06 135.77 o 6 -34 0 30.15 225.81 138.87 o 1 -33 0 45.35 15.00 134.67 o 2 -33 0 7854.65 8039.53 161.18 o 3 -33 0 326.39 391.90 76.79 o 4 -33 0 557.26 704.76 145.14 o 5 -33 0 1662.19 1735.61 155.14 o 6 -33 0 48.50 435.38 146.35 o 0 -32 0 254.29 194.68 106.06 o 1 -32 0 22783.89 23685.34 470.30 o 2 -32 0 381.34 600.04 77.67 o 3 -32 0 303.44 417.27 115.83 o 4 -32 0 748.00 714.80 247.71 o 5 -32 0 4162.72 4218.07 247.01 o 6 -32 0 44.70 40.48 139.65 o 7 -32 0 4184.45 4544.26 871.87 o 1 -31 0 3110.53 3412.45 165.72 o 2 -31 0 2600.74 2611.51 99.58 o 3 -31 0 1488.32 1423.20 85.44 o 4 -31 0 1497.69 1461.90 284.34 o 5 -31 0 5298.59 5461.51 312.95 o 6 -31 0 322.06 226.30 142.18 o 7 -31 0 361.47 529.97 198.52 o 1 -30 0 1564.69 1604.57 83.77 o 2 -30 0 14614.61 14562.44 333.12 o 3 -30 0 263.09 280.14 72.23 o 4 -30 0 16525.93 16605.11 278.06 o 5 -30 0 734.26 871.64 139.44 o 6 -30 0 212.88 54.59 135.21 o 7 -30 0 58.51 199.26 148.54 o 1 -29 0 2218.45 2247.70 94.37 o 2 -29 0 3493.17 3742.92 108.43 o 3 -29 0 2328.64 2077.14 91.31 o 4 -29 0 793.14 844.24 84.90 o 5 -29 0 7166.79 6528.51 319.23 o 6 -29 0 217.19 187.62 141.05 o 7 -29 0 283.82 173.41 151.47 o 0 -28 0 1460.47 1291.59 106.06 o 1 -28 0 38792.07 36025.54 533.76 o 2 -28 0 5212.33 5101.90 177.24 o 3 -28 0 37.10 4.03 65.82 o 4 -28 0 854.20 1048.52 286.44 o 5 -28 0 3193.48 3399.46 237.94 o 6 -28 0 1931.92 2230.29 604.97 o 7 -28 0 3814.30 4658.94 638.47 o 1 -27 0 3706.90 3742.22 256.78 o 2 -27 0 18169.66 17024.70 434.72 o 3 -27 0 593.99 641.65 80.85 o 4 -27 0 8199.04 8148.60 175.15 o 5 -27 0 3807.37 3796.65 379.24 o 6 -27 0 2319.89 2201.29 370.17 o 7 -27 0 787.12 658.46 155.27 o 0 -26 0 849.73 766.16 92.11 o 1 -26 0 638.40 612.87 90.01 o 2 -26 0 14096.35 13334.57 375.93 o 3 -26 0 23886.76 23055.46 409.70 o 4 -26 0 13168.16 12840.25 282.96 o 5 -26 0 5615.08 4992.74 519.50 o 6 -26 0 524.82 597.32 484.96 o 7 -26 0 17.15 98.17 157.54 o 1 -25 0 5968.07 5893.47 151.77 o 2 -25 0 232.68 552.64 107.46 o 3 -25 0 3114.65 2916.97 183.52 o 4 -25 0 5131.21 4974.38 136.76 o 5 -25 0 7248.60 6666.10 315.05 o 6 -25 0 388.92 360.28 235.50 o 7 -25 0 142.01 273.01 149.32 o 0 -24 0 41571.79 38924.82 842.92 o 1 -24 0 14997.97 14310.37 540.78 o 2 -24 0 22474.35 21181.85 644.75 o 3 -24 0 446.70 453.95 84.43 o 4 -24 0 1000.89 1134.27 141.30 o 5 -24 0 1159.87 911.98 273.88 o 6 -24 0 9256.81 9399.20 511.82 o 7 -24 0 2425.33 2413.92 215.61 o 1 -23 0 107.94 251.89 75.36 o 2 -23 0 24789.38 23747.79 487.74 o 3 -23 0 3917.68 4042.86 119.35 o 4 -23 0 11455.35 10451.24 235.98 o 5 -23 0 379.96 361.03 79.45 o 6 -23 0 4143.49 3933.86 334.24 o 7 -23 0 988.72 1004.90 149.21 o 8 -23 0 210.89 60.33 259.57 o 0 -22 0 1437.77 1290.19 87.92 o 1 -22 0 4895.60 4960.83 136.05 o 2 -22 0 2228.22 2373.39 84.43 o 3 -22 0 59438.34 54293.14 890.36 o 4 -22 0 1729.69 1740.27 146.53 o 5 -22 0 7513.59 7331.50 716.97 o 6 -22 0 680.23 682.20 126.47 o 7 -22 0 12.44 -26.00 132.11 o 8 -22 0 293.45 395.89 160.57 o 1 -21 0 18387.93 18028.67 455.40 o 2 -21 0 9688.91 9303.87 222.19 o 3 -21 0 2186.63 2270.85 90.02 o 4 -21 0 7948.58 7116.16 161.83 o 5 -21 0 1290.92 1303.21 206.89 o 6 -21 0 290.02 334.00 117.19 o 7 -21 0 232.98 190.88 185.26 o 8 -21 0 539.90 504.50 166.77 o 0 -20 0 114887.73 98421.51 1353.69 o 1 -20 0 17.86 -21.80 53.03 o 2 -20 0 22778.06 21223.07 498.94 o 3 -20 0 1378.43 1385.04 90.36 o 4 -20 0 695.69 732.29 141.65 o 5 -20 0 3577.73 3357.90 353.77 o 6 -20 0 13944.12 13416.98 261.32 o 7 -20 0 120.92 -46.57 117.18 o 8 -20 0 5694.96 6082.49 1460.80 o 1 -19 0 12599.85 11636.50 321.10 o 2 -19 0 18741.93 17387.00 756.39 o 3 -19 0 14255.22 13470.22 416.57 o 4 -19 0 6775.37 6347.14 164.33 o 5 -19 0 10384.61 8945.54 547.06 o 6 -19 0 4814.86 5128.72 342.61 o 7 -19 0 561.46 285.70 189.80 o 8 -19 0 297.92 507.14 217.01 o 0 -18 0 1104.88 1047.36 73.27 o 1 -18 0 6672.21 5898.07 175.75 o 2 -18 0 12921.95 12654.64 414.62 o 3 -18 0 81818.30 71162.02 1036.55 o 4 -18 0 11251.83 10070.55 307.72 o 5 -18 0 13243.11 12916.51 626.95 o 6 -18 0 602.86 525.64 96.64 o 7 -18 0 46.25 -71.56 120.08 o 8 -18 0 775.92 384.40 311.91 o 1 -17 0 10046.14 9505.93 239.79 o 2 -17 0 35592.68 31443.36 728.13 o 3 -17 0 2559.79 2616.85 105.02 o 4 -17 0 2382.52 2183.70 86.21 o 5 -17 0 456.45 509.54 78.04 o 6 -17 0 1818.84 1557.45 423.55 o 7 -17 0 630.67 1062.71 184.91 o 8 -17 0 1238.95 1106.04 167.85 o 0 -16 0 209036.92 170596.83 1782.12 o 1 -16 0 33522.54 29512.79 1508.59 o 2 -16 0 5986.16 5819.89 155.64 o 3 -16 0 1841.81 1618.30 70.37 o 4 -16 0 80.36 84.67 59.02 o 5 -16 0 8847.52 7679.88 310.16 o 6 -16 0 10394.41 9814.37 272.13 o 7 -16 0 3993.40 3759.57 734.76 o 8 -16 0 4679.24 4133.64 1193.55 o 1 -15 0 60197.73 51321.35 813.61 o 2 -15 0 8486.04 7959.14 313.30 o 3 -15 0 2210.78 2068.54 73.91 o 4 -15 0 1424.19 1345.85 80.59 o 5 -15 0 23731.88 20763.82 445.18 o 6 -15 0 1469.70 1274.76 195.73 o 7 -15 0 321.74 136.71 174.44 o 8 -15 0 695.32 730.21 213.17 o 0 -14 0 961.15 888.27 57.92 o 1 -14 0 4209.48 3811.35 476.93 o 2 -14 0 53991.98 45040.71 694.93 o 3 -14 0 7892.50 6672.54 285.39 o 4 -14 0 56224.81 45656.29 845.71 o 5 -14 0 10823.92 9873.35 335.63 o 6 -14 0 626.64 618.89 305.63 o 7 -14 0 7.30 34.38 134.67 o 8 -14 0 1153.43 1015.90 494.72 o 1 -13 0 6838.99 7334.50 623.46 o 2 -13 0 21228.16 18958.74 915.83 o 3 -13 0 682.25 634.86 54.47 o 4 -13 0 935.87 952.88 136.76 o 5 -13 0 4210.90 3503.85 107.65 o 6 -13 0 2302.90 1785.60 486.00 o 7 -13 0 1645.45 1199.39 145.96 o 8 -13 0 2093.48 1451.21 445.53 o 0 -12 0 160482.16 134075.84 1459.05 o 1 -12 0 165827.42 136544.33 6702.15 o 2 -12 0 3098.80 2718.86 89.66 o 3 -12 0 347.79 310.26 47.78 o 4 -12 0 363.02 304.27 59.61 o 5 -12 0 12455.86 11162.23 328.57 o 6 -12 0 3413.73 3095.17 304.93 o 7 -12 0 17211.28 18647.40 387.27 o 8 -12 0 1335.83 1346.80 578.81 o 1 -11 0 79984.77 68741.63 796.51 o 2 -11 0 29694.27 25042.42 1962.50 o 3 -11 0 388.55 328.01 49.43 o 4 -11 0 6575.14 5256.41 223.29 o 5 -11 0 17123.43 14564.63 806.28 o 6 -11 0 1706.09 1420.39 367.03 o 7 -11 0 456.97 343.23 278.06 o 8 -11 0 1980.58 2002.63 849.89 o 0 -10 0 135.65 137.46 32.80 o 1 -10 0 1660.53 1665.27 69.08 o 2 -10 0 112231.98 90512.99 1039.69 o 3 -10 0 1679.23 1474.78 59.96 o 4 -10 0 88056.66 74409.59 1144.35 o 5 -10 0 2364.08 2224.32 92.65 o 6 -10 0 2385.82 2107.31 476.58 o 7 -10 0 6.93 130.04 171.30 o 8 -10 0 639.42 513.49 197.82 o 1 -9 0 21055.16 18498.57 596.60 o 2 -9 0 20984.47 17254.44 566.25 o 3 -9 0 1259.85 1215.26 66.99 o 4 -9 0 1862.33 1386.02 244.57 o 5 -9 0 6626.24 5513.98 243.87 o 6 -9 0 1735.51 1476.72 335.98 o 7 -9 0 1394.04 1392.87 477.63 o 8 -9 0 1882.01 1544.88 235.15 o 0 -8 0 42077.22 34858.17 614.74 o 1 -8 0 179905.80 138387.42 8326.23 o 2 -8 0 27514.68 21768.72 751.16 o 3 -8 0 2156.03 1995.16 93.15 o 4 -8 0 1112.43 768.08 187.35 o 5 -8 0 8051.14 7070.91 174.53 o 6 -8 0 7266.65 6218.16 352.73 o 7 -8 0 32648.57 32448.04 482.86 o 8 -8 0 871.73 988.55 463.67 o 1 -7 0 248.53 282.71 27.42 o 2 -7 0 120553.99 93809.23 3022.77 o 3 -7 0 7967.15 6134.41 275.27 o 4 -7 0 12696.88 10528.86 356.56 o 5 -7 0 819.13 817.99 104.67 o 6 -7 0 6536.20 5810.97 461.93 o 7 -7 0 2156.98 1760.03 278.41 o 8 -7 0 2130.40 1952.51 728.13 o 0 -6 0 339.10 332.84 26.52 o 1 -6 0 7333.19 6409.03 452.51 o 2 -6 0 126422.60 96755.96 5668.74 o 3 -6 0 60504.73 47967.55 1628.61 o 4 -6 0 44505.08 35452.93 1901.09 o 5 -6 0 9090.39 7558.28 424.60 o 6 -6 0 2561.43 2140.12 396.69 o 7 -6 0 97.18 313.77 113.66 o 8 -6 0 486.94 221.16 145.74 o 1 -5 0 47901.14 39385.82 1723.16 o 2 -5 0 10521.16 7867.14 316.09 o 3 -5 0 261.43 226.31 40.70 o 4 -5 0 3081.08 2376.14 297.95 o 5 -5 0 8601.39 7150.30 285.74 o 6 -5 0 1216.18 863.10 479.02 o 7 -5 0 83.89 91.78 110.76 o 8 -5 0 819.51 684.60 487.05 o 1 -4 0 62532.76 50827.75 2036.46 o 2 -4 0 1722.93 1375.25 47.10 o 3 -4 0 804.68 777.51 48.37 o 4 -4 0 735.14 747.62 59.28 o 5 -4 0 4700.07 4117.04 157.35 o 6 -4 0 28087.95 23265.30 514.26 o 7 -4 0 13581.09 12794.45 334.93 o 8 -4 0 4531.52 4197.93 1075.62 o 1 -3 0 912.74 828.06 54.78 o 2 -3 0 33737.49 26910.48 500.60 o 3 -3 0 7320.87 6034.10 178.39 o 4 -3 0 7174.83 5857.37 213.17 o 5 -3 0 1443.14 1279.89 78.38 o 6 -3 0 11392.32 10412.93 383.08 o 7 -3 0 3135.45 2896.37 954.21 o 8 -3 0 1324.47 1240.58 629.40 o 1 -2 0 4219.65 3414.95 101.41 o 2 -2 0 8033.48 6485.40 172.57 o 3 -2 0 101280.95 79280.07 4054.78 o 4 -2 0 8623.48 7217.11 300.04 o 5 -2 0 31675.13 25828.39 1850.51 o 6 -2 0 2952.43 2304.57 376.10 o 7 -2 0 100.77 99.14 111.46 o 8 -2 0 641.30 743.30 647.19 o 1 -1 0 19778.23 16777.83 996.08 o 2 -1 0 712.79 639.60 34.70 o 3 -1 0 1591.70 1291.69 55.72 o 4 -1 0 3639.04 3112.33 90.69 o 5 -1 0 9673.75 8544.68 609.51 o 6 -1 0 4827.18 3993.74 571.48 o 7 -1 0 1562.08 1321.45 210.03 o 8 -1 0 244.00 125.97 148.87 o 1 0 0 63.83 52.12 15.89 o 2 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31.54 133.58 o -1 -47 1 1067.10 1159.29 189.80 o 0 -47 1 192.26 331.49 130.98 o 1 -47 1 564.08 475.19 188.40 o 2 -47 1 213.58 266.68 137.18 o -3 -46 1 747.07 917.56 157.96 o -2 -46 1 994.86 1117.56 154.40 o -1 -46 1 108.02 122.08 123.49 o 0 -46 1 17.82 -11.07 124.20 o 1 -46 1 8.97 141.07 123.59 o 2 -46 1 1950.63 2046.03 164.91 o 3 -46 1 562.32 575.67 147.18 o -4 -45 1 359.24 52.86 157.36 o -3 -45 1 168.42 291.93 146.76 o -2 -45 1 2961.96 3088.49 177.92 o -1 -45 1 154.32 273.74 124.54 o 0 -45 1 521.02 346.57 128.99 o 1 -45 1 105.30 82.69 113.98 o 2 -45 1 2904.86 2749.97 185.13 o 3 -45 1 975.06 943.31 189.80 o 4 -45 1 453.68 167.85 157.32 o -4 -44 1 525.80 496.78 367.73 o -3 -44 1 109.86 145.99 377.85 o -2 -44 1 112.58 140.04 150.37 o -1 -44 1 1313.52 1678.03 199.22 o 0 -44 1 487.73 504.38 129.83 o 1 -44 1 955.45 1141.82 176.19 o 2 -44 1 566.85 749.88 137.42 o 3 -44 1 37.38 -83.36 135.88 o 4 -44 1 194.49 603.70 219.10 o -4 -43 1 8.44 -24.29 143.66 o -3 -43 1 1640.50 1578.38 165.10 o -2 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