#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:30:44 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181866 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/96/2019618.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2019618
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.5261
_cell_length_b                   7.1356
_cell_length_c                   7.8147
_exptl_crystal_F_000             596.00
_reflns_d_resolution_high        0.7526
_cod_data_source_file            fn3175Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' Imm2 in Imm2'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            444.04
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x, -y, z'
'-x, y, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-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
0 0 -10 12482.22 12373.28 654.05 o
1 1 -10 472.35 367.20 101.86 o
1 0 -9 25758.96 27238.04 773.07 o
3 0 -9 18054.07 19403.96 785.74 o
0 1 -9 258.93 215.77 72.00 o
2 1 -9 222.83 262.73 77.14 o
1 2 -9 25944.11 25288.28 524.46 o
0 3 -9 832.07 740.89 114.09 o
0 0 -8 15235.85 15521.08 699.98 o
2 0 -8 12734.74 11556.70 361.78 o
1 1 -8 4819.67 4898.82 164.39 o
3 1 -8 3297.71 3407.19 139.29 o
0 2 -8 8298.19 8096.73 314.80 o
2 2 -8 6985.31 6769.55 199.69 o
1 3 -8 8631.72 8404.42 237.42 o
3 3 -8 5919.76 6287.29 240.15 o
0 4 -8 6865.49 6798.14 460.39 o
2 4 -8 5837.94 5602.29 234.22 o
1 5 -8 22912.58 22539.53 755.17 o
1 0 -7 21183.87 21940.61 469.45 o
3 0 -7 14212.97 13041.96 380.94 o
0 1 -7 557.53 580.68 82.04 o
2 1 -7 450.95 446.54 45.99 o
4 1 -7 243.54 313.66 77.51 o
1 2 -7 13737.74 14335.83 274.36 o
3 2 -7 9510.62 9902.75 251.46 o
0 3 -7 24773.82 23926.37 660.15 o
2 3 -7 20148.31 20239.96 358.76 o
1 4 -7 8116.23 8505.54 360.02 o
3 4 -7 5702.99 5477.69 220.95 o
0 5 -7 15246.35 14751.65 761.20 o
2 5 -7 12700.40 12394.59 587.10 o
1 6 -7 2945.52 3457.31 250.48 o
0 0 -6 78759.90 80717.20 2532.22 o
2 0 -6 61487.91 60810.36 1309.14 o
4 0 -6 33078.70 32549.91 970.73 o
1 1 -6 1085.23 1153.05 51.98 o
3 1 -6 681.62 713.63 61.26 o
0 2 -6 51215.62 49383.32 1159.82 o
2 2 -6 40533.71 39597.23 560.70 o
4 2 -6 22360.67 22569.05 540.01 o
1 3 -6 1721.31 1559.98 72.49 o
3 3 -6 1228.63 1117.96 94.34 o
0 4 -6 12739.48 12434.33 632.48 o
2 4 -6 10446.10 10663.90 400.90 o
1 5 -6 3772.05 3937.34 234.34 o
3 5 -6 2908.52 2696.21 270.30 o
0 6 -6 70.27 6.62 94.94 o
2 6 -6 67.55 247.48 97.42 o
1 7 -6 8581.94 7970.67 399.34 o
1 0 -5 24383.66 25105.26 718.92 o
3 0 -5 15700.09 15796.47 403.39 o
0 1 -5 12531.97 12129.77 216.83 o
2 1 -5 9232.44 9090.86 164.53 o
4 1 -5 4605.04 4472.26 188.02 o
1 2 -5 23591.27 24776.87 330.25 o
3 2 -5 15173.98 15821.01 289.53 o
0 3 -5 18791.54 17249.55 524.79 o
2 3 -5 14720.57 14480.35 286.35 o
4 3 -5 7801.46 7729.36 272.37 o
1 4 -5 10174.22 10915.18 396.79 o
3 4 -5 6977.72 6578.39 251.59 o
0 5 -5 46811.83 48490.00 1817.06 o
2 5 -5 37842.91 38728.22 1059.12 o
1 6 -5 4879.92 5553.90 299.96 o
3 6 -5 3291.54 3190.95 370.63 o
0 7 -5 16159.15 17048.03 873.53 o
2 7 -5 13577.20 13733.31 534.83 o
0 0 -4 32838.02 37008.71 772.10 o
2 0 -4 24693.59 26057.51 496.52 o
4 0 -4 12753.74 12366.21 454.82 o
1 1 -4 1478.13 1254.11 42.60 o
3 1 -4 952.44 861.98 55.55 o
5 1 -4 410.08 448.62 81.80 o
0 2 -4 38205.04 39867.74 828.25 o
2 2 -4 28734.88 29148.99 403.59 o
4 2 -4 14969.53 14908.45 380.10 o
1 3 -4 46807.12 40779.02 1634.42 o
3 3 -4 27945.31 27156.00 486.08 o
0 4 -4 12049.88 12581.75 590.53 o
2 4 -4 9645.84 9653.31 301.16 o
4 4 -4 5452.92 5460.73 237.54 o
1 5 -4 28845.71 28122.28 779.64 o
3 5 -4 19037.21 18461.72 832.12 o
0 6 -4 6103.48 6143.61 425.75 o
2 6 -4 4986.51 4958.23 291.10 o
1 7 -4 31180.67 32102.46 927.48 o
3 7 -4 22118.06 21390.06 1027.05 o
0 8 -4 2686.76 3282.80 354.56 o
1 0 -3 182256.84 192883.45 4031.06 o
3 0 -3 96053.30 96972.44 2068.68 o
5 0 -3 40170.73 42691.95 1180.42 o
0 1 -3 1498.28 1795.38 69.16 o
2 1 -3 953.79 945.23 35.14 o
4 1 -3 417.22 526.79 70.38 o
1 2 -3 74606.75 69512.38 882.73 o
3 2 -3 42956.19 41252.63 650.08 o
5 2 -3 18799.88 18825.01 462.45 o
0 3 -3 1652.74 2133.04 116.21 o
2 3 -3 1271.94 1364.63 78.05 o
4 3 -3 788.83 601.13 80.98 o
1 4 -3 29537.86 28882.15 840.24 o
3 4 -3 18321.27 17071.91 624.28 o
5 4 -3 8860.71 10095.03 492.34 o
0 5 -3 5619.46 6518.68 407.85 o
2 5 -3 4841.72 5620.48 220.26 o
4 5 -3 3269.15 3833.42 569.01 o
1 6 -3 319.65 340.18 94.85 o
3 6 -3 178.13 269.87 105.49 o
0 7 -3 12578.22 12681.38 720.96 o
2 7 -3 10612.57 10549.37 434.43 o
1 8 -3 2288.66 2476.34 216.82 o
0 0 -2 37854.88 43305.51 848.04 o
2 0 -2 26925.92 29168.14 475.95 o
4 0 -2 13675.66 13809.84 449.96 o
1 1 -2 15254.47 14199.41 197.17 o
3 1 -2 7298.72 6851.69 156.44 o
5 1 -2 2864.70 2938.28 151.57 o
0 2 -2 62241.98 61433.95 1497.80 o
2 2 -2 43225.43 44651.40 680.20 o
4 2 -2 20538.86 21122.99 445.02 o
1 3 -2 36841.70 33566.93 724.29 o
3 3 -2 20908.69 19675.68 516.08 o
5 3 -2 8951.55 9035.92 292.59 o
0 4 -2 14104.25 14641.36 481.20 o
2 4 -2 11068.38 10557.67 318.42 o
4 4 -2 6115.01 5958.72 276.42 o
1 5 -2 58651.75 56853.49 1219.53 o
3 5 -2 36638.44 37742.11 1758.76 o
0 6 -2 8468.00 8810.45 531.95 o
2 6 -2 6725.87 7224.18 266.10 o
4 6 -2 3739.88 4445.26 484.97 o
1 7 -2 25526.28 25427.79 789.42 o
3 7 -2 17719.50 18641.41 685.22 o
0 8 -2 4715.88 4842.90 429.39 o
2 8 -2 3887.22 3971.31 371.26 o
1 9 -2 14649.15 13779.41 799.18 o
1 0 -1 35507.14 42065.50 660.52 o
3 0 -1 19268.96 20842.15 565.46 o
5 0 -1 8641.98 8675.31 370.58 o
0 1 -1 8391.48 7350.85 163.56 o
2 1 -1 5399.16 4997.92 96.59 o
4 1 -1 2355.21 2317.13 109.28 o
1 2 -1 63758.67 61547.27 1213.35 o
3 2 -1 32598.66 31368.91 580.76 o
5 2 -1 13962.58 13987.76 364.65 o
0 3 -1 63890.17 57199.45 1452.18 o
2 3 -1 44925.04 41484.24 763.68 o
4 3 -1 20834.53 20085.25 439.81 o
1 4 -1 14228.95 15161.61 338.58 o
3 4 -1 8978.19 9530.34 329.12 o
5 4 -1 4367.69 4918.58 499.30 o
0 5 -1 54128.10 52281.48 1428.26 o
2 5 -1 41985.85 42319.21 908.73 o
4 5 -1 22325.76 22499.86 1217.23 o
1 6 -1 8702.99 8658.67 310.14 o
3 6 -1 5657.19 5976.71 471.83 o
0 7 -1 36271.23 33354.14 1368.99 o
2 7 -1 29857.20 29995.61 954.47 o
1 8 -1 4687.75 4982.79 297.03 o
3 8 -1 3197.84 3914.02 478.96 o
0 9 -1 12248.73 11361.58 720.06 o
2 0 0 197168.20 197789.97 8082.14 o
4 0 0 80220.19 84780.27 1953.31 o
1 1 0 32.59 166.46 21.18 o
3 1 0 29.19 74.97 26.24 o
5 1 0 40.86 36.19 70.73 o
0 2 0 100293.93 95601.37 3696.94 o
2 2 0 68311.33 65343.36 1082.69 o
4 2 0 31565.82 31178.10 587.67 o
1 3 0 594.31 1392.54 91.76 o
3 3 0 574.34 912.82 189.17 o
5 3 0 447.30 450.18 183.00 o
0 4 0 45869.82 42511.36 2497.20 o
2 4 0 33748.74 32586.10 580.33 o
4 4 0 16998.29 16191.57 962.08 o
1 5 0 5555.89 6276.18 211.30 o
3 5 0 4210.44 4354.19 248.03 o
0 6 0 952.11 893.77 141.41 o
2 6 0 678.65 953.38 255.11 o
4 6 0 318.40 450.71 193.53 o
1 7 0 13558.81 13741.67 439.40 o
3 7 0 9658.94 9193.87 427.89 o
0 8 0 2115.00 2553.96 309.23 o
2 8 0 1694.02 2058.86 208.11 o
1 9 0 15198.59 15239.87 875.56 o
1 0 1 39105.42 45068.32 946.24 o
3 0 1 21488.78 22468.01 552.03 o
5 0 1 9701.16 9105.91 643.96 o
0 1 1 8008.57 7359.24 404.15 o
2 1 1 5115.10 4567.43 110.75 o
4 1 1 2197.99 2326.48 129.22 o
1 2 1 69004.17 66233.30 2533.77 o
3 2 1 35788.30 35786.76 713.36 o
5 2 1 15563.66 14608.19 899.71 o
0 3 1 61275.80 56921.30 2382.70 o
2 3 1 42889.88 38423.99 886.82 o
4 3 1 19709.85 19882.18 1087.54 o
1 4 1 13534.76 12493.28 554.49 o
3 4 1 8532.72 7746.38 584.92 o
5 4 1 4109.16 3511.35 437.22 o
0 5 1 51576.95 52546.18 2347.27 o
2 5 1 39885.04 40231.95 1435.36 o
4 5 1 21053.18 20440.23 1199.14 o
1 6 1 8635.31 8276.17 335.33 o
3 6 1 5616.39 5509.00 542.12 o
0 7 1 34985.44 32753.06 1702.45 o
2 7 1 28772.14 29382.44 1643.85 o
4 7 1 17105.18 18932.02 914.22 o
1 8 1 4898.61 4758.43 252.64 o
0 9 1 12472.07 12353.19 711.49 o
0 0 2 34299.74 40943.96 893.59 o
2 0 2 24221.05 28322.47 650.68 o
4 0 2 12202.52 12802.30 733.38 o
1 1 2 15731.79 15095.47 438.49 o
3 1 2 7594.92 7223.29 207.42 o
5 1 2 3017.30 2847.55 336.18 o
0 2 2 57253.46 60340.93 2556.14 o
2 2 2 39415.82 40948.95 1251.88 o
4 2 2 18442.93 18168.60 1041.52 o
1 3 2 38683.59 35095.55 754.86 o
3 3 2 22105.51 21796.79 1063.57 o
5 3 2 9547.85 9748.30 713.55 o
0 4 2 14745.37 17102.62 932.30 o
2 4 2 11572.65 12063.42 500.80 o
4 4 2 6426.54 6121.24 523.60 o
1 5 2 61302.88 59515.33 1862.56 o
3 5 2 38492.69 38071.42 825.00 o
0 6 2 8537.86 8680.97 721.51 o
2 6 2 6780.73 6041.55 402.98 o
4 6 2 3761.22 3940.58 492.28 o
1 7 2 26301.92 25864.09 1921.05 o
3 7 2 18269.01 17534.96 1224.77 o
0 8 2 4506.99 4808.10 319.78 o
2 8 2 3706.10 4085.37 571.00 o
1 9 2 14706.83 13204.34 1064.54 o
1 0 3 181877.47 192567.22 7201.11 o
3 0 3 95798.17 98474.87 3787.16 o
0 1 3 1216.62 1618.05 229.03 o
2 1 3 741.62 633.28 75.45 o
4 1 3 299.69 295.91 121.34 o
1 2 3 74489.95 66277.54 1359.82 o
3 2 3 42892.98 40317.67 1796.66 o
5 2 3 18785.78 17861.99 1057.10 o
2 3 3 1917.43 2188.85 269.47 o
4 3 3 1170.40 1148.42 233.13 o
1 4 3 29464.38 28986.55 1068.84 o
3 4 3 18262.38 17596.68 463.61 o
0 5 3 4973.13 6474.53 623.41 o
2 5 3 4302.58 4037.37 326.53 o
4 5 3 2913.35 2579.74 171.98 o
1 6 3 373.17 439.88 158.78 o
3 6 3 220.09 411.31 182.30 o
0 7 3 13332.59 15151.07 1081.40 o
2 7 3 11269.81 11887.64 621.26 o
1 8 3 2295.21 2755.58 338.76 o
0 9 3 13622.00 11826.62 992.22 o
0 0 4 36405.29 38438.97 1645.65 o
2 0 4 27552.15 27426.37 1139.26 o
1 1 4 1341.62 1298.64 122.89 o
3 1 4 858.02 895.17 161.92 o
0 2 4 41594.05 43998.42 1952.29 o
2 2 4 31442.69 31789.87 1409.52 o
4 2 4 16537.40 16034.87 872.26 o
1 3 4 44680.46 39057.73 1706.73 o
3 3 4 26502.82 27917.12 1393.84 o
5 3 4 12108.45 12766.67 876.41 o
0 4 4 11901.63 12917.38 907.16 o
2 4 4 9527.55 9085.67 323.36 o
4 4 4 5376.42 5048.90 524.62 o
1 5 4 27246.14 26146.14 2052.71 o
3 5 4 17903.74 18846.55 522.16 o
0 6 4 5892.66 5882.49 669.90 o
2 6 4 4809.30 4888.47 581.96 o
1 7 4 29854.95 29152.32 1241.99 o
3 7 4 21121.35 22027.61 1267.68 o
0 8 4 2845.09 3023.99 554.60 o
2 8 4 2349.13 2578.73 409.10 o
1 0 5 21644.73 24248.02 1114.51 o
0 1 5 12897.37 12493.64 491.75 o
2 1 5 9529.25 9549.39 565.06 o
1 2 5 21315.63 22835.64 871.03 o
3 2 5 13604.24 14737.29 870.44 o
0 3 5 19912.69 18584.59 1108.79 o
2 3 5 15643.87 14982.37 436.24 o
4 3 5 8350.59 8769.46 657.71 o
1 4 5 10202.71 11533.83 627.25 o
3 4 5 7006.74 7016.88 279.39 o
0 5 5 48875.30 53210.78 2581.55 o
2 5 5 39592.02 40243.21 1452.27 o
1 6 5 5062.69 5470.81 820.65 o
3 6 5 3422.57 3501.18 362.13 o
0 7 5 16574.86 17413.39 1314.58 o
2 7 5 13927.95 13785.23 760.49 o
0 0 6 78376.07 78658.25 3252.89 o
1 1 6 875.78 860.43 107.60 o
0 2 6 50996.00 46473.04 2250.04 o
2 2 6 40360.05 39367.16 895.58 o
1 3 6 2440.36 2599.34 406.13 o
3 3 6 1756.64 1986.81 238.52 o
0 4 6 12690.10 14032.61 1017.28 o
2 4 6 10398.90 10444.54 589.92 o
4 4 6 6134.34 6689.13 661.82 o
1 5 6 3209.30 2630.17 354.02 o
3 5 6 2469.11 1954.66 281.92 o
0 6 6 120.79 18.96 237.76 o
2 6 6 112.90 154.28 136.26 o
1 0 7 23697.08 24691.64 649.95 o
0 1 7 496.84 543.18 184.58 o
2 1 7 401.82 464.33 203.00 o
1 2 7 15056.41 15638.38 683.91 o
3 2 7 10450.89 10093.34 404.27 o
0 3 7 23404.01 22330.53 1357.82 o
2 3 7 18980.94 18985.29 567.48 o
1 4 7 8374.50 8481.32 559.54 o
3 4 7 5902.21 5863.67 275.52 o
0 5 7 14293.51 15801.46 1203.37 o
2 5 7 11888.61 12823.89 724.45 o
1 6 7 2673.76 2739.80 399.55 o
2 0 8 11043.70 10640.26 435.21 o
1 1 8 4988.01 5118.85 501.14 o
3 1 8 3422.19 3585.82 245.54 o
0 2 8 7567.26 6988.81 602.56 o
2 2 8 6364.59 6301.80 336.98 o
1 3 8 9212.93 8712.60 530.76 o
0 4 8 6560.95 6619.40 691.52 o
2 4 8 5572.20 5208.62 431.20 o
1 5 8 23993.74 24888.78 1119.35 o
2 3 9 1053.52 1132.02 358.43 o
1 4 9 3776.86 3669.45 543.41 o