#------------------------------------------------------------------------------
#$Date: 2019-06-18 16:07:37 +0300 (Tue, 18 Jun 2019) $
#$Revision: 216070 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/16/2021674.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2021674
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.0976
_cell_length_b                   42.7178
_cell_length_c                   6.1349
_exptl_crystal_F_000             920.00
_reflns_d_resolution_high        0.7002
_cod_data_source_file            jx30233bsup3.hkl
_cod_data_source_block           3b
_shelx_title                     ' 217_d.res in Abm2'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            519.37
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x, -y+1/2, z'
'-x, y+1/2, z'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x, -y+1, z+1/2'
'-x, y+1, 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 -8 1092.52 1401.10 321.67 o
1 0 -8 115.56 139.89 186.98 o
2 0 -8 564.28 497.54 248.98 o
3 0 -8 676.95 1020.76 233.74 o
4 0 -8 50.17 222.69 269.09 o
0 2 -8 2460.58 2322.72 274.47 o
1 2 -8 242.26 -19.25 130.59 o
2 2 -8 1220.95 1141.34 162.19 o
3 2 -8 1099.56 945.43 162.90 o
4 2 -8 115.27 -157.17 157.17 o
0 4 -8 1471.57 1623.77 244.95 o
1 4 -8 58.95 151.38 132.08 o
2 4 -8 1206.44 1429.94 172.48 o
3 4 -8 170.81 260.90 144.11 o
4 4 -8 514.22 283.32 173.59 o
0 6 -8 630.53 570.60 196.80 o
1 6 -8 209.11 278.33 136.00 o
2 6 -8 495.86 354.19 144.77 o
3 6 -8 1221.91 1116.01 170.02 o
0 8 -8 4.45 79.05 183.67 o
1 8 -8 7.17 -87.58 129.11 o
2 8 -8 4.11 165.82 138.03 o
3 8 -8 41.24 100.65 145.32 o
0 10 -8 18.60 -82.54 181.48 o
1 10 -8 16.67 -35.30 130.22 o
2 10 -8 19.15 67.51 136.60 o
3 10 -8 27.40 125.99 142.27 o
0 12 -8 740.30 826.26 220.37 o
1 12 -8 99.97 -97.14 133.30 o
2 12 -8 468.58 419.90 148.24 o
3 12 -8 551.76 376.98 153.96 o
0 14 -8 1518.76 1460.33 244.68 o
1 14 -8 202.97 210.52 139.62 o
2 14 -8 820.09 963.05 161.03 o
3 14 -8 1107.86 973.01 174.74 o
0 16 -8 2313.96 1897.01 263.37 o
1 16 -8 170.68 55.77 138.36 o
2 16 -8 1417.53 1310.71 183.24 o
3 16 -8 813.62 714.15 197.87 o
0 18 -8 1859.57 1698.53 316.87 o
1 18 -8 189.90 163.15 144.08 o
2 18 -8 1047.98 815.45 162.50 o
0 20 -8 1248.56 1304.20 241.66 o
1 20 -8 57.65 18.37 144.75 o
2 20 -8 700.59 769.28 197.00 o
0 22 -8 303.25 162.11 208.44 o
1 22 -8 143.50 134.92 150.92 o
0 24 -8 158.89 110.11 206.08 o
1 24 -8 34.22 112.24 180.15 o
1 1 -7 480.50 574.85 121.30 o
2 1 -7 59.60 59.07 111.84 o
3 1 -7 160.07 210.61 121.72 o
4 1 -7 80.14 214.89 101.47 o
5 1 -7 305.87 292.35 128.29 o
6 1 -7 141.48 391.51 160.34 o
1 3 -7 857.16 1086.80 138.12 o
2 3 -7 76.15 52.57 108.79 o
3 3 -7 437.27 572.74 137.95 o
4 3 -7 271.35 376.78 131.25 o
5 3 -7 192.86 407.33 149.66 o
6 3 -7 225.73 299.78 160.66 o
1 5 -7 772.78 972.32 133.36 o
2 5 -7 2185.12 2056.41 173.57 o
3 5 -7 172.10 245.51 123.90 o
4 5 -7 3477.84 3088.87 242.41 o
5 5 -7 127.29 -64.80 140.19 o
6 5 -7 1773.73 1813.63 296.77 o
1 7 -7 4773.08 4297.15 248.83 o
2 7 -7 594.71 748.69 129.44 o
3 7 -7 1064.09 970.37 145.70 o
4 7 -7 1642.52 1887.88 178.49 o
5 7 -7 185.12 109.45 144.32 o
1 9 -7 4344.32 4020.90 238.12 o
2 9 -7 1558.78 1632.43 159.45 o
3 9 -7 1599.21 1474.19 175.80 o
4 9 -7 2577.17 2756.54 313.39 o
5 9 -7 135.16 113.75 130.81 o
1 11 -7 2505.33 2528.82 185.81 o
2 11 -7 464.99 391.80 125.70 o
3 11 -7 633.01 590.32 126.58 o
4 11 -7 1117.72 1203.34 156.91 o
5 11 -7 12.43 -26.23 130.85 o
1 13 -7 1423.88 1569.10 158.04 o
2 13 -7 668.27 722.70 136.13 o
3 13 -7 669.35 698.31 128.17 o
4 13 -7 953.62 1036.04 156.53 o
5 13 -7 67.72 -8.95 134.76 o
1 15 -7 283.06 474.17 125.32 o
2 15 -7 242.18 372.32 149.11 o
3 15 -7 42.17 53.26 107.68 o
4 15 -7 584.54 677.70 149.87 o
5 15 -7 15.30 -149.11 149.11 o
1 17 -7 35.47 -28.95 115.92 o
2 17 -7 314.33 393.28 132.34 o
3 17 -7 68.94 197.87 109.48 o
4 17 -7 306.58 256.34 141.95 o
5 17 -7 34.15 -98.16 140.75 o
1 19 -7 800.49 975.59 175.38 o
2 19 -7 142.84 165.68 127.07 o
3 19 -7 280.77 486.92 147.39 o
4 19 -7 192.18 311.50 148.67 o
5 19 -7 39.96 42.42 146.68 o
1 21 -7 1041.78 970.28 146.89 o
2 21 -7 696.17 747.67 133.62 o
3 21 -7 240.53 366.43 144.25 o
4 21 -7 1316.05 1396.68 180.19 o
1 23 -7 1581.78 1801.51 177.55 o
2 23 -7 567.19 638.59 155.07 o
3 23 -7 778.91 1104.07 169.28 o
4 23 -7 883.89 871.37 244.64 o
1 25 -7 3840.41 3541.12 234.11 o
2 25 -7 580.14 690.98 194.20 o
3 25 -7 746.70 885.40 168.47 o
4 25 -7 1260.87 1463.80 260.18 o
1 27 -7 1567.53 1534.59 180.86 o
2 27 -7 814.74 894.92 197.92 o
3 27 -7 601.79 761.97 168.24 o
4 27 -7 1393.10 1412.95 190.28 o
1 29 -7 2035.80 1657.98 216.53 o
2 29 -7 396.83 414.16 189.36 o
3 29 -7 465.69 592.10 173.34 o
1 31 -7 47.24 171.51 189.94 o
2 31 -7 317.90 355.15 196.81 o
3 31 -7 132.04 -43.19 161.04 o
1 33 -7 494.26 646.62 207.17 o
2 33 -7 33.93 -6.40 193.14 o
1 35 -7 345.46 271.65 199.62 o
0 0 -6 3424.96 3516.36 408.27 o
1 0 -6 511.95 465.76 143.24 o
2 0 -6 2052.65 2606.31 491.78 o
3 0 -6 2660.59 3580.22 289.68 o
4 0 -6 149.20 274.04 131.15 o
5 0 -6 2957.00 2877.78 302.85 o
6 0 -6 557.09 400.60 192.43 o
7 0 -6 1995.40 2120.41 279.30 o
0 2 -6 9741.02 7951.51 503.02 o
1 2 -6 503.36 609.22 104.92 o
2 2 -6 5288.63 4340.07 231.94 o
3 2 -6 3101.93 3379.58 164.60 o
4 2 -6 592.82 554.95 107.99 o
5 2 -6 3439.85 3581.34 197.34 o
6 2 -6 98.01 133.80 127.38 o
7 2 -6 1125.48 1086.35 165.93 o
0 4 -6 3676.66 3307.83 278.84 o
1 4 -6 859.04 853.37 111.29 o
2 4 -6 2774.28 3061.62 189.70 o
3 4 -6 3544.19 4007.62 182.91 o
4 4 -6 692.62 653.71 101.23 o
5 4 -6 2309.52 2247.04 163.96 o
6 4 -6 41.63 55.58 126.04 o
7 4 -6 568.26 459.93 146.71 o
0 6 -6 3308.30 3551.56 287.44 o
1 6 -6 93.08 115.30 93.15 o
2 6 -6 1400.25 1509.63 135.78 o
3 6 -6 663.36 911.05 136.73 o
4 6 -6 5.74 162.87 100.55 o
5 6 -6 719.45 718.24 117.52 o
6 6 -6 277.56 485.02 157.60 o
7 6 -6 158.99 347.94 162.73 o
0 8 -6 1692.23 1939.79 209.82 o
1 8 -6 230.41 173.51 93.81 o
2 8 -6 757.74 846.75 114.13 o
3 8 -6 836.17 986.94 105.09 o
4 8 -6 88.61 -11.88 97.27 o
5 8 -6 465.48 468.77 136.61 o
6 8 -6 71.05 112.70 124.95 o
7 8 -6 115.47 276.24 161.69 o
0 10 -6 162.25 302.82 159.29 o
1 10 -6 635.16 665.29 109.88 o
2 10 -6 201.52 279.41 90.06 o
3 10 -6 2519.39 2617.32 150.93 o
4 10 -6 237.01 229.19 104.47 o
5 10 -6 1539.88 1394.17 156.68 o
6 10 -6 58.31 24.39 127.68 o
7 10 -6 438.07 303.99 161.61 o
0 12 -6 2550.77 2499.45 239.47 o
1 12 -6 198.75 148.26 96.16 o
2 12 -6 1254.13 1296.66 111.12 o
3 12 -6 1287.49 1510.43 119.74 o
4 12 -6 255.70 66.15 103.66 o
5 12 -6 1443.16 1851.63 229.82 o
6 12 -6 348.92 221.09 132.76 o
7 12 -6 395.24 169.62 164.23 o
0 14 -6 3836.31 3742.98 301.60 o
1 14 -6 353.54 436.46 105.06 o
2 14 -6 2692.06 3029.36 172.71 o
3 14 -6 1415.83 1510.68 121.60 o
4 14 -6 544.49 382.75 110.29 o
5 14 -6 807.10 969.65 203.12 o
6 14 -6 73.75 180.58 135.04 o
7 14 -6 137.63 544.36 300.02 o
0 16 -6 5213.39 5045.39 367.40 o
1 16 -6 265.32 213.76 101.98 o
2 16 -6 2621.31 2896.25 153.58 o
3 16 -6 1830.39 1716.89 129.31 o
4 16 -6 182.37 312.89 122.24 o
5 16 -6 2434.37 2258.15 196.42 o
6 16 -6 289.43 319.01 142.67 o
0 18 -6 7493.76 6201.93 425.34 o
1 18 -6 420.28 365.29 99.93 o
2 18 -6 4665.45 4217.34 198.75 o
3 18 -6 1993.93 2291.21 157.07 o
4 18 -6 601.19 618.85 134.26 o
5 18 -6 1691.62 1509.32 172.23 o
6 18 -6 251.73 382.37 151.36 o
0 20 -6 4006.60 3829.04 319.11 o
1 20 -6 270.50 312.47 87.96 o
2 20 -6 1880.32 1978.14 132.57 o
3 20 -6 1735.30 1830.65 147.41 o
4 20 -6 157.45 238.22 127.14 o
5 20 -6 2000.56 2043.59 195.40 o
6 20 -6 352.41 431.80 154.22 o
0 22 -6 2033.12 2431.26 247.14 o
1 22 -6 569.58 710.34 98.40 o
2 22 -6 1616.63 1567.80 124.59 o
3 22 -6 2402.21 2761.01 208.93 o
4 22 -6 503.95 400.25 138.32 o
5 22 -6 1460.80 1510.95 207.05 o
6 22 -6 2.43 68.94 143.49 o
0 24 -6 807.84 985.83 225.78 o
1 24 -6 63.77 102.23 90.09 o
2 24 -6 385.42 404.66 100.29 o
3 24 -6 525.03 498.82 131.80 o
4 24 -6 37.89 30.88 131.12 o
5 24 -6 952.36 828.73 214.73 o
6 24 -6 8.08 -50.50 148.34 o
0 26 -6 474.47 617.59 178.34 o
1 26 -6 72.34 22.15 93.55 o
2 26 -6 304.19 222.91 126.46 o
3 26 -6 290.14 308.19 132.11 o
4 26 -6 348.84 167.58 136.42 o
5 26 -6 209.89 387.59 152.05 o
0 28 -6 1097.42 952.80 169.91 o
1 28 -6 579.30 633.68 108.95 o
2 28 -6 602.53 676.31 144.10 o
3 28 -6 2544.22 3018.96 223.66 o
4 28 -6 74.27 215.72 142.59 o
5 28 -6 1724.37 1504.36 261.07 o
0 30 -6 3815.70 4304.95 265.02 o
1 30 -6 113.71 160.87 117.71 o
2 30 -6 2321.18 2493.87 207.84 o
3 30 -6 778.68 517.76 157.02 o
4 30 -6 489.22 366.59 151.43 o
5 30 -6 1053.16 717.86 171.77 o
0 32 -6 2281.07 2119.59 196.99 o
1 32 -6 336.88 300.24 140.89 o
2 32 -6 1509.37 1400.21 175.98 o
3 32 -6 1640.29 1588.82 188.96 o
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0 34 -6 2312.01 2323.51 250.45 o
1 34 -6 158.97 115.52 143.91 o
2 34 -6 1137.43 1219.72 208.88 o
3 34 -6 1098.23 944.77 179.35 o
4 34 -6 72.24 78.65 164.69 o
0 36 -6 2355.64 2352.74 263.80 o
1 36 -6 337.97 390.23 159.42 o
2 36 -6 1268.51 1227.39 187.95 o
3 36 -6 1672.67 1485.25 201.31 o
4 36 -6 55.19 -88.40 165.61 o
0 38 -6 3034.15 3793.62 434.83 o
1 38 -6 100.45 200.67 161.21 o
2 38 -6 1752.41 1652.51 204.21 o
3 38 -6 611.87 370.17 180.92 o
0 40 -6 68.65 60.07 332.00 o
1 40 -6 151.84 86.00 207.35 o
2 40 -6 66.53 -17.84 170.67 o
3 40 -6 644.58 429.76 188.84 o
0 42 -6 97.99 -213.41 454.66 o
1 42 -6 46.10 165.44 364.97 o
2 42 -6 45.28 -45.64 180.34 o
0 44 -6 343.73 157.74 501.06 o
1 44 -6 23.62 -219.60 476.31 o
1 1 -5 680.60 822.76 138.85 o
2 1 -5 548.32 707.57 74.05 o
3 1 -5 842.40 1035.97 88.56 o
4 1 -5 345.30 573.33 83.49 o
5 1 -5 368.51 445.58 87.66 o
6 1 -5 36.61 269.15 118.41 o
7 1 -5 18.02 49.32 124.50 o
8 1 -5 17.05 172.19 143.70 o
1 3 -5 4499.71 4461.88 217.27 o
2 3 -5 596.30 682.24 73.33 o
3 3 -5 1464.33 1628.49 98.07 o
4 3 -5 1453.88 1836.26 144.93 o
5 3 -5 207.63 224.51 81.54 o
6 3 -5 1150.42 1289.11 125.92 o
7 3 -5 66.40 308.84 133.92 o
8 3 -5 391.95 239.42 146.78 o
1 5 -5 8393.64 7605.91 329.78 o
2 5 -5 3201.81 3090.81 131.80 o
3 5 -5 4104.46 3807.63 154.44 o
4 5 -5 4147.13 4202.40 200.47 o
5 5 -5 262.35 141.64 91.43 o
6 5 -5 1743.84 1989.18 150.42 o
7 5 -5 345.53 237.24 140.00 o
8 5 -5 384.86 400.66 146.60 o
1 7 -5 14297.63 13088.33 537.00 o
2 7 -5 1872.59 2266.26 119.11 o
3 7 -5 2526.27 2945.31 131.96 o
4 7 -5 4871.57 5087.92 233.98 o
5 7 -5 511.91 469.37 99.91 o
6 7 -5 3369.24 3749.60 206.01 o
7 7 -5 1710.31 1478.64 168.08 o
8 7 -5 615.01 766.44 179.16 o
1 9 -5 10966.98 10656.61 401.09 o
2 9 -5 5573.78 5275.04 202.76 o
3 9 -5 3641.31 3734.19 167.60 o
4 9 -5 7599.51 7017.33 291.25 o
5 9 -5 5.48 -14.23 99.59 o
6 9 -5 3017.22 3082.30 206.40 o
7 9 -5 1427.94 1331.17 163.59 o
8 9 -5 336.34 254.48 161.87 o
1 11 -5 11308.91 10651.16 364.15 o
2 11 -5 1316.81 1363.75 94.51 o
3 11 -5 2432.16 2760.80 140.91 o
4 11 -5 3642.83 3511.30 186.88 o
5 11 -5 93.76 22.35 103.42 o
6 11 -5 2668.80 2563.02 195.72 o
7 11 -5 975.94 1037.10 153.27 o
8 11 -5 466.41 444.39 175.26 o
1 13 -5 88.67 146.22 63.74 o
2 13 -5 3331.33 3206.36 152.37 o
3 13 -5 171.07 258.84 76.47 o
4 13 -5 4804.25 4541.96 216.54 o
5 13 -5 106.67 112.23 106.31 o
6 13 -5 2439.46 2640.07 198.81 o
7 13 -5 82.60 65.03 129.86 o
8 13 -5 633.43 521.29 181.19 o
1 15 -5 2219.18 2378.92 124.20 o
2 15 -5 284.89 291.54 72.06 o
3 15 -5 770.78 860.07 98.14 o
4 15 -5 691.19 716.99 102.63 o
5 15 -5 135.12 9.41 110.29 o
6 15 -5 400.16 413.03 129.64 o
7 15 -5 12.49 140.07 134.38 o
1 17 -5 926.17 940.22 85.37 o
2 17 -5 83.15 97.08 71.58 o
3 17 -5 306.83 239.27 84.64 o
4 17 -5 14.21 33.83 99.29 o
5 17 -5 13.84 21.67 111.05 o
6 17 -5 6.52 96.08 124.14 o
7 17 -5 81.69 -43.31 135.95 o
1 19 -5 65.39 106.55 68.74 o
2 19 -5 391.12 504.33 81.50 o
3 19 -5 70.54 89.77 91.54 o
4 19 -5 308.60 375.78 112.14 o
5 19 -5 17.44 75.00 114.76 o
6 19 -5 56.39 30.41 179.02 o
7 19 -5 37.62 78.57 142.34 o
1 21 -5 3021.78 2985.07 147.62 o
2 21 -5 1153.38 1325.22 103.17 o
3 21 -5 573.52 481.70 114.83 o
4 21 -5 2529.39 2617.51 196.77 o
5 21 -5 15.85 53.30 118.90 o
6 21 -5 1341.06 1177.86 164.45 o
7 21 -5 167.32 368.58 151.63 o
1 23 -5 3286.09 3781.81 172.50 o
2 23 -5 5131.96 4741.20 202.39 o
3 23 -5 1117.44 1221.60 142.44 o
4 23 -5 7775.12 7668.76 393.04 o
5 23 -5 80.82 47.68 124.92 o
6 23 -5 3702.20 3539.09 257.59 o
7 23 -5 604.58 542.54 202.53 o
1 25 -5 15757.83 14710.18 499.59 o
2 25 -5 1346.77 1335.72 117.46 o
3 25 -5 3742.56 3789.94 228.26 o
4 25 -5 3105.50 2795.95 209.44 o
5 25 -5 102.97 246.20 127.93 o
6 25 -5 1915.65 2061.75 259.78 o
7 25 -5 1155.88 1062.03 224.66 o
1 27 -5 6682.59 6312.07 229.42 o
2 27 -5 1718.57 1854.87 158.79 o
3 27 -5 3147.33 3117.58 208.00 o
4 27 -5 2570.88 2718.22 203.63 o
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5 29 -5 3.96 -21.87 129.79 o
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1 31 -5 1917.54 1933.02 124.96 o
2 31 -5 1058.45 1290.70 200.67 o
3 31 -5 1171.68 1312.73 161.20 o
4 31 -5 1502.46 1436.16 170.98 o
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2 33 -5 165.35 162.94 114.20 o
3 33 -5 193.01 287.02 160.09 o
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5 33 -5 164.03 -193.85 193.85 o
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1 35 -5 809.99 1094.10 133.10 o
2 35 -5 28.19 153.49 146.80 o
3 35 -5 151.22 125.56 138.61 o
4 35 -5 75.44 -25.99 182.59 o
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3 37 -5 939.35 810.68 164.17 o
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5 37 -5 138.24 -212.09 212.09 o
1 39 -5 2216.48 2339.34 195.39 o
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1 41 -5 2391.63 2048.77 297.35 o
2 41 -5 1141.33 897.54 156.59 o
3 41 -5 791.54 667.01 174.55 o
4 41 -5 1680.95 1227.51 314.02 o
1 43 -5 3025.54 3197.17 416.65 o
2 43 -5 429.59 614.60 231.70 o
3 43 -5 589.76 752.85 231.16 o
4 43 -5 1100.67 932.77 256.31 o
1 45 -5 840.94 549.60 245.98 o
2 45 -5 944.70 1017.92 203.30 o
3 45 -5 439.06 673.67 237.55 o
1 47 -5 924.03 750.97 223.56 o
2 47 -5 175.70 76.36 404.10 o
1 49 -5 106.42 50.64 211.49 o
0 0 -4 19641.34 18626.93 1481.52 o
1 0 -4 2586.38 2585.16 258.26 o
2 0 -4 12836.65 12247.22 497.95 o
3 0 -4 11251.97 11249.54 461.99 o
4 0 -4 3152.25 2981.96 191.28 o
5 0 -4 9298.62 9111.74 430.54 o
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9 0 -4 362.66 467.03 417.55 o
0 2 -4 18076.10 18242.01 1026.81 o
1 2 -4 797.53 1093.38 88.72 o
2 2 -4 8386.39 8511.38 269.69 o
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