#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:40:35 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181870 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/00/2020065.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_2020065
_cell_angle_alpha                90.000
_cell_angle_beta                 94.848
_cell_angle_gamma                90.000
_cell_length_a                   10.3735
_cell_length_b                   7.8620
_cell_length_c                   17.9844
_exptl_crystal_F_000             1072.00
_reflns_d_resolution_high        0.7700
_cod_data_source_file            wq30952sup3.hkl
_cod_data_source_block           2
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 1 in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            402.41
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
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 103024.77 95719.63 2526.27 o
4 0 0 17395.99 17988.53 591.33 o
6 0 0 68309.83 62902.57 2339.80 o
8 0 0 319.64 465.51 99.44 o
10 0 0 898.28 968.03 171.30 o
12 0 0 1259.18 983.71 264.61 o
1 1 0 70.35 658.69 29.19 o
2 1 0 11830.74 11380.72 279.07 o
3 1 0 973.88 915.57 46.69 o
4 1 0 25603.78 24098.09 813.34 o
5 1 0 3701.58 3752.54 189.98 o
6 1 0 11369.19 11116.80 303.34 o
7 1 0 3990.36 3896.74 152.13 o
8 1 0 13960.96 13923.33 471.68 o
9 1 0 40.43 155.93 88.13 o
10 1 0 3833.33 3722.64 246.68 o
11 1 0 859.31 874.30 142.33 o
12 1 0 57.50 105.65 136.32 o
13 1 0 1284.40 1249.01 301.34 o
0 2 0 91562.88 61322.78 2953.96 o
1 2 0 27163.45 25932.38 534.17 o
2 2 0 159903.77 128075.81 2600.19 o
3 2 0 122.23 123.65 20.77 o
4 2 0 65928.40 64609.98 1398.96 o
5 2 0 17271.01 16819.18 384.39 o
6 2 0 3571.87 3957.68 130.45 o
7 2 0 816.71 908.06 65.08 o
8 2 0 6943.85 6804.52 308.91 o
9 2 0 805.33 715.93 129.93 o
10 2 0 1287.30 1148.08 136.18 o
11 2 0 362.97 581.04 124.83 o
12 2 0 23.76 -112.48 154.00 o
13 2 0 33.62 2.00 333.30 o
1 3 0 2750.93 2767.92 67.38 o
2 3 0 3516.73 3605.70 108.48 o
3 3 0 2327.33 2508.51 136.99 o
4 3 0 10108.64 10188.18 228.19 o
5 3 0 17.60 52.67 21.54 o
6 3 0 33343.49 31708.84 768.40 o
7 3 0 1014.36 1018.59 106.16 o
8 3 0 1102.09 1168.03 106.18 o
9 3 0 130.91 144.32 64.07 o
10 3 0 203.23 164.80 116.16 o
11 3 0 64.53 -119.99 122.08 o
12 3 0 3456.57 2912.57 377.05 o
0 4 0 36910.27 35811.54 1157.53 o
1 4 0 15356.44 15506.29 355.16 o
2 4 0 67159.13 64853.63 1697.97 o
3 4 0 120.01 154.20 29.90 o
4 4 0 29264.91 29845.81 746.95 o
5 4 0 596.77 594.75 40.53 o
6 4 0 2524.11 2476.01 90.87 o
7 4 0 13358.36 13844.20 485.33 o
8 4 0 3528.75 3253.83 270.45 o
9 4 0 509.71 619.25 132.20 o
10 4 0 377.97 372.17 127.90 o
11 4 0 15.10 -4.35 119.82 o
12 4 0 52.66 196.14 199.62 o
1 5 0 5540.70 5477.57 172.91 o
2 5 0 1406.64 1357.32 89.78 o
3 5 0 177.25 245.29 40.40 o
4 5 0 9948.41 10151.50 305.46 o
5 5 0 373.33 399.94 59.52 o
6 5 0 2110.14 2225.44 200.96 o
7 5 0 1065.76 1236.93 167.25 o
8 5 0 2727.27 3152.15 281.13 o
9 5 0 500.45 576.87 153.20 o
10 5 0 1631.68 1672.10 311.43 o
11 5 0 1087.80 1272.08 273.99 o
0 6 0 48669.72 48083.27 2967.34 o
1 6 0 206.64 234.44 58.16 o
2 6 0 6623.27 6983.59 265.84 o
3 6 0 1802.90 2048.65 126.96 o
4 6 0 4779.23 4584.76 230.90 o
5 6 0 2456.03 2540.31 159.09 o
6 6 0 12236.84 11533.46 671.55 o
7 6 0 1263.05 1119.51 184.07 o
8 6 0 45.44 -73.68 100.46 o
9 6 0 637.51 671.69 172.09 o
10 6 0 88.63 104.33 147.76 o
1 7 0 664.97 654.67 84.20 o
2 7 0 1827.54 1878.86 176.11 o
3 7 0 440.47 502.87 90.89 o
4 7 0 1823.69 2258.68 173.55 o
5 7 0 638.95 694.29 132.87 o
6 7 0 595.05 684.93 143.64 o
7 7 0 1095.96 1218.53 191.25 o
8 7 0 1094.60 1002.66 216.25 o
9 7 0 179.63 322.04 162.81 o
0 8 0 1060.48 1066.78 241.88 o
1 8 0 623.07 882.59 109.18 o
2 8 0 4601.51 5092.41 315.91 o
3 8 0 840.25 1066.27 143.85 o
4 8 0 2441.77 2409.08 213.53 o
5 8 0 2781.03 3306.75 344.78 o
6 8 0 167.99 -27.11 120.46 o
7 8 0 20.53 287.59 147.53 o
8 8 0 555.27 599.58 255.52 o
1 9 0 356.32 516.36 164.00 o
2 9 0 7.07 -29.84 81.22 o
3 9 0 420.95 754.14 197.68 o
4 9 0 116.33 -63.50 156.71 o
5 9 0 5.66 230.75 144.77 o
6 9 0 784.73 1196.22 533.04 o
0 10 0 218.92 -15.04 176.59 o
1 10 0 706.16 608.78 230.46 o
2 10 0 768.17 754.11 397.00 o
-13 0 1 68.13 200.63 344.68 o
-11 0 1 1593.48 1661.44 299.55 o
-9 0 1 371.15 517.10 115.70 o
-7 0 1 7454.82 7932.28 359.09 o
-5 0 1 20170.45 20366.01 630.19 o
-3 0 1 5923.14 5619.36 138.77 o
3 0 1 31520.19 32034.39 863.91 o
5 0 1 140236.64 130877.91 5651.29 o
7 0 1 23293.03 23767.13 1157.21 o
9 0 1 45.73 391.21 249.14 o
11 0 1 2866.90 8384.42 5139.75 o
13 0 1 25.86 54.29 328.98 o
-13 1 1 348.96 192.93 193.00 o
-12 1 1 1.03 121.31 108.88 o
-11 1 1 86.97 213.13 176.04 o
-10 1 1 2001.38 2234.32 213.25 o
-9 1 1 5374.82 5317.07 306.47 o
-8 1 1 5845.31 5772.20 324.38 o
-7 1 1 2321.20 2234.09 109.59 o
-6 1 1 442.04 583.74 60.84 o
-5 1 1 16138.09 15986.21 668.95 o
-4 1 1 8632.44 8435.54 193.84 o
-3 1 1 83747.21 73207.30 1436.78 o
-2 1 1 3088.84 2971.23 87.28 o
-1 1 1 10035.98 9893.04 255.14 o
1 1 1 752.86 1337.71 37.88 o
2 1 1 1920.74 2015.68 56.95 o
3 1 1 302.67 399.22 32.82 o
4 1 1 4437.90 4049.36 96.59 o
5 1 1 2606.45 2475.88 90.28 o
6 1 1 344.19 440.49 45.77 o
7 1 1 8207.11 8426.85 293.81 o
8 1 1 1703.16 1623.89 110.67 o
9 1 1 11085.13 11802.18 631.57 o
10 1 1 2668.66 2565.88 189.99 o
11 1 1 875.94 1173.98 262.07 o
12 1 1 133.18 140.43 119.74 o
13 1 1 320.64 -64.45 147.34 o
-13 2 1 359.24 490.84 235.62 o
-12 2 1 15.07 19.69 134.86 o
-11 2 1 94.98 120.30 86.99 o
-10 2 1 498.27 801.07 128.53 o
-9 2 1 2113.03 2160.99 157.14 o
-8 2 1 782.59 957.28 97.46 o
-7 2 1 1176.15 1286.14 96.76 o
-6 2 1 323.12 329.16 48.62 o
-5 2 1 2349.82 2507.00 104.17 o
-4 2 1 16117.64 15624.26 276.28 o
-3 2 1 49289.93 49051.74 881.42 o
-2 2 1 12502.93 13347.33 217.02 o
-1 2 1 43740.59 41561.96 844.76 o
0 2 1 1437.05 1366.63 74.11 o
1 2 1 86184.27 71371.86 1124.74 o
2 2 1 15641.92 15876.14 396.41 o
3 2 1 149254.47 129825.60 2688.22 o
4 2 1 28188.77 28502.81 749.69 o
5 2 1 28179.70 29641.52 862.69 o
6 2 1 140.94 180.71 34.91 o
7 2 1 15627.03 15546.91 461.88 o
8 2 1 955.96 1045.96 83.52 o
9 2 1 8504.83 7957.53 363.57 o
10 2 1 3223.91 3063.59 204.69 o
11 2 1 87.08 59.60 79.00 o
12 2 1 5.31 62.11 144.87 o
13 2 1 282.39 -17.99 167.03 o
-12 3 1 159.33 57.31 137.30 o
-11 3 1 2538.90 2395.01 318.09 o
-10 3 1 149.06 188.86 83.46 o
-9 3 1 1156.40 1427.85 127.61 o
-8 3 1 111.24 245.80 71.41 o
-7 3 1 10678.39 10558.49 429.93 o
-6 3 1 9.79 58.97 42.31 o
-5 3 1 18526.50 18314.52 391.54 o
-4 3 1 816.41 877.49 41.32 o
-3 3 1 3345.84 3746.99 91.40 o
-2 3 1 177.09 363.92 42.01 o
-1 3 1 25796.91 23754.17 455.57 o
0 3 1 384.16 406.18 80.78 o
1 3 1 7102.41 7148.89 170.56 o
2 3 1 3074.36 2908.07 75.87 o
3 3 1 461.75 582.65 48.39 o
4 3 1 2751.94 2769.27 76.15 o
5 3 1 9305.99 9485.39 322.59 o
6 3 1 67.74 207.72 53.15 o
7 3 1 10704.34 10316.61 287.82 o
8 3 1 1.69 28.11 44.21 o
9 3 1 403.43 399.04 74.91 o
10 3 1 78.94 159.66 106.82 o
11 3 1 4628.29 4537.40 403.90 o
12 3 1 123.92 318.17 208.20 o
-12 4 1 42.62 410.30 230.85 o
-11 4 1 413.16 1373.22 685.10 o
-10 4 1 294.57 524.24 269.81 o
-9 4 1 1512.06 1626.71 227.76 o
-8 4 1 2507.21 2710.50 169.63 o
-7 4 1 253.63 262.07 73.82 o
-6 4 1 997.76 914.23 87.52 o
-5 4 1 2629.60 2629.12 127.11 o
-4 4 1 299.02 300.34 32.93 o
-3 4 1 26132.77 25816.17 652.13 o
-2 4 1 32036.29 30024.14 874.70 o
-1 4 1 11848.58 12185.96 290.89 o
0 4 1 8.43 93.84 32.91 o
1 4 1 48523.68 46176.92 1282.73 o
2 4 1 8423.45 8787.47 229.63 o
3 4 1 90338.74 84614.30 2582.92 o
4 4 1 7497.60 7255.19 221.62 o
5 4 1 13375.34 13715.51 397.79 o
6 4 1 1978.50 1889.85 117.63 o
7 4 1 7425.92 6983.33 381.83 o
8 4 1 2192.30 2253.41 208.01 o
9 4 1 5702.68 5174.68 378.38 o
10 4 1 168.52 258.81 133.84 o
11 4 1 205.54 176.67 126.24 o
12 4 1 494.32 536.84 208.92 o
-11 5 1 274.38 284.96 151.49 o
-10 5 1 2055.73 2202.36 281.03 o
-9 5 1 3110.62 3051.36 316.11 o
-8 5 1 523.23 845.84 148.74 o
-7 5 1 553.89 269.60 98.90 o
-6 5 1 162.41 275.82 62.87 o
-5 5 1 4679.72 4566.69 157.08 o
-4 5 1 2281.47 2419.18 103.35 o
-3 5 1 12397.60 12799.35 648.36 o
-2 5 1 1392.65 1383.87 78.42 o
-1 5 1 5616.04 5640.60 184.80 o
0 5 1 768.43 985.48 116.24 o
1 5 1 4909.23 4725.03 155.41 o
2 5 1 2216.31 2257.03 100.72 o
3 5 1 36.40 134.78 39.37 o
4 5 1 451.02 530.63 69.44 o
5 5 1 863.86 961.34 86.09 o
6 5 1 295.84 349.81 59.84 o
7 5 1 1316.19 1349.10 172.65 o
8 5 1 208.72 318.04 156.24 o
9 5 1 2990.47 3461.19 344.67 o
10 5 1 971.48 1122.25 219.76 o
11 5 1 139.59 76.27 124.96 o
-10 6 1 105.87 148.81 146.65 o
-9 6 1 12.32 -125.02 150.73 o
-8 6 1 223.76 204.11 133.40 o
-7 6 1 1762.27 1979.59 233.35 o
-6 6 1 426.11 791.35 161.55 o
-5 6 1 3265.67 2930.82 157.10 o
-4 6 1 1681.28 1841.24 135.10 o
-3 6 1 256.89 424.21 73.84 o
-2 6 1 1784.21 1689.56 111.95 o
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0 6 1 922.97 1128.07 93.06 o
1 6 1 27394.75 28519.23 1075.43 o
2 6 1 240.40 362.75 61.98 o
3 6 1 1161.34 1227.54 100.87 o
4 6 1 234.66 657.46 101.98 o
5 6 1 18981.86 19074.85 765.47 o
6 6 1 824.08 923.61 143.90 o
7 6 1 5313.43 5641.85 413.93 o
8 6 1 930.76 1056.32 196.17 o
9 6 1 42.04 143.33 137.60 o
10 6 1 503.05 863.93 239.50 o
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-7 7 1 374.94 557.37 166.67 o
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-5 7 1 382.75 746.05 214.42 o
-4 7 1 191.36 277.04 140.77 o
-3 7 1 3952.33 4199.77 222.55 o
-2 7 1 18.17 65.57 54.95 o
-1 7 1 3630.69 3736.97 201.94 o
0 7 1 1819.10 1968.45 150.82 o
1 7 1 1170.69 1126.66 93.05 o
2 7 1 865.60 830.69 93.70 o
3 7 1 72.08 265.46 86.56 o
4 7 1 1410.76 1554.56 151.31 o
5 7 1 53.74 202.89 115.97 o
6 7 1 302.71 505.83 142.23 o
7 7 1 1042.65 860.04 190.28 o
8 7 1 163.44 410.86 167.32 o
9 7 1 731.16 760.57 209.55 o
-8 8 1 3.91 105.88 205.85 o
-7 8 1 95.72 371.98 333.19 o
-6 8 1 627.15 712.05 171.36 o
-5 8 1 308.47 360.54 127.56 o
-4 8 1 2434.72 2317.87 272.21 o
-3 8 1 4024.15 4406.05 366.00 o
-2 8 1 180.54 311.91 86.60 o
-1 8 1 1440.75 1386.87 131.16 o
0 8 1 707.62 969.14 116.51 o
1 8 1 3478.85 3632.58 216.35 o
2 8 1 1034.38 1390.96 236.42 o
3 8 1 7821.67 8788.93 495.65 o
4 8 1 2208.15 2275.38 211.89 o
5 8 1 1083.66 1387.56 244.36 o
6 8 1 143.71 258.86 132.96 o
7 8 1 1028.48 1060.17 244.41 o
8 8 1 105.17 323.28 192.12 o
-6 9 1 316.43 466.32 296.45 o
-5 9 1 752.14 996.78 209.63 o
-4 9 1 12.42 206.15 205.99 o
-3 9 1 79.05 180.90 105.31 o
-2 9 1 122.16 321.12 110.09 o
-1 9 1 795.93 942.86 136.43 o
0 9 1 76.24 58.69 81.41 o
1 9 1 255.38 359.10 121.28 o
2 9 1 747.15 939.55 163.06 o
3 9 1 25.13 1.07 82.63 o
4 9 1 382.86 632.09 186.42 o
5 9 1 193.42 298.51 179.07 o
6 9 1 35.98 -30.51 166.85 o
-2 10 1 1123.30 1499.71 538.93 o
-1 10 1 230.03 245.02 186.17 o
0 10 1 123.26 -22.77 127.04 o
1 10 1 650.12 568.94 208.82 o
2 10 1 95.77 354.74 234.83 o
-12 0 2 385.32 460.66 304.13 o
-10 0 2 363.37 430.35 175.80 o
-8 0 2 1216.99 1278.61 137.96 o
-6 0 2 19933.12 20328.89 1661.54 o
-4 0 2 91.90 29.09 32.45 o
-2 0 2 12515.52 13345.83 350.80 o
2 0 2 3397.51 4037.18 80.36 o
4 0 2 76839.80 73434.46 2224.86 o
6 0 2 125770.66 118229.15 4909.03 o
8 0 2 3341.17 3236.87 211.60 o
10 0 2 6206.59 6114.13 495.22 o
12 0 2 3539.49 2921.62 402.91 o
-13 1 2 774.51 884.97 271.73 o
-12 1 2 410.47 821.22 184.68 o
-11 1 2 1953.57 1951.93 220.97 o
-10 1 2 7486.69 7461.94 391.57 o
-9 1 2 361.48 322.26 80.68 o
-8 1 2 6404.11 6376.03 325.00 o
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-6 1 2 570.33 728.21 70.01 o
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-4 1 2 37519.59 38423.27 919.16 o
-3 1 2 3082.78 2931.23 80.06 o
-2 1 2 55578.36 51603.08 606.49 o
-1 1 2 291.45 386.32 14.43 o
0 1 2 55530.54 46692.17 813.30 o
1 1 2 5017.91 4550.55 82.74 o
2 1 2 55122.11 52417.07 1574.23 o
3 1 2 5.29 31.60 18.16 o
4 1 2 8886.46 9360.59 194.19 o
5 1 2 1444.08 1533.92 63.55 o
6 1 2 613.33 658.07 62.16 o
7 1 2 334.54 444.68 66.64 o
8 1 2 3251.85 3308.72 211.71 o
9 1 2 268.92 386.44 78.47 o
10 1 2 1956.17 2125.80 168.78 o
11 1 2 391.94 429.04 129.04 o
12 1 2 257.56 224.39 304.94 o
13 1 2 582.35 856.63 428.29 o
-13 2 2 4.19 31.02 136.28 o
-12 2 2 437.72 498.74 213.30 o
-11 2 2 116.72 128.05 88.98 o
-10 2 2 1061.81 1288.48 145.35 o
-9 2 2 24.02 247.71 142.96 o
-8 2 2 2144.65 2618.19 163.20 o
-7 2 2 1737.35 1775.33 112.76 o
-6 2 2 118.02 252.38 55.02 o
-5 2 2 9073.94 8807.16 256.22 o
-4 2 2 15387.19 16203.26 419.92 o
-3 2 2 30.37 56.34 25.95 o
-2 2 2 7944.29 8462.48 202.11 o
-1 2 2 4171.96 4470.05 85.21 o
0 2 2 739.09 1016.11 41.15 o
1 2 2 53796.46 48032.88 761.95 o
2 2 2 134847.16 116639.91 2845.86 o
3 2 2 3855.58 4033.92 127.77 o
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5 2 2 4383.40 4258.49 143.38 o
6 2 2 15408.06 15621.84 556.28 o
7 2 2 8277.93 7905.96 267.68 o
8 2 2 27809.99 26841.02 879.36 o
9 2 2 2812.72 2678.81 164.45 o
10 2 2 4314.17 3934.93 241.49 o
11 2 2 794.60 1077.82 206.76 o
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13 2 2 89.57 495.10 304.77 o
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-9 3 2 93.84 161.42 75.74 o
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-6 3 2 27795.46 27595.42 942.52 o
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-3 4 2 3141.48 3013.82 98.02 o
-2 4 2 6060.01 6284.54 206.73 o
-1 4 2 12294.81 11900.78 288.92 o
0 4 2 3738.98 3631.99 198.59 o
1 4 2 9875.88 10060.77 259.30 o
2 4 2 41154.60 42346.27 1038.22 o
3 4 2 1960.59 1801.80 63.57 o
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8 4 2 15832.80 15208.43 805.03 o
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11 4 2 192.74 165.96 142.77 o
12 4 2 323.67 495.01 198.32 o
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-10 5 2 2406.93 2375.85 318.75 o
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-6 5 2 121.14 132.05 84.35 o
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5 5 2 2178.19 2292.67 158.57 o
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