#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:30:44 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181866 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/96/2019654.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_2019654
_cell_angle_alpha                95.993
_cell_angle_beta                 101.662
_cell_angle_gamma                97.157
_cell_length_a                   8.2704
_cell_length_b                   9.9266
_cell_length_c                   11.7290
_exptl_crystal_F_000             556.00
_reflns_d_resolution_high        0.8331
_cod_data_source_file            qs3040Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' t in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            223.15
_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'
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 0 703.93 776.32 29.28 o
2 0 0 26669.62 23730.62 465.39 o
3 0 0 918.93 897.25 24.05 o
4 0 0 12119.66 11684.94 236.02 o
5 0 0 659.27 729.03 39.66 o
6 0 0 4298.78 4138.20 94.30 o
7 0 0 1847.07 1873.40 51.99 o
8 0 0 801.20 751.71 62.92 o
9 0 0 892.37 835.17 34.61 o
-9 1 0 271.07 331.40 23.34 o
-8 1 0 2702.45 2736.72 76.62 o
-7 1 0 361.90 336.28 22.43 o
-6 1 0 4862.22 4546.20 103.12 o
-5 1 0 11.97 23.65 6.84 o
-4 1 0 18877.18 17996.65 359.01 o
-3 1 0 50.62 62.96 5.83 o
-2 1 0 8219.93 7903.71 110.85 o
-1 1 0 28.51 27.03 8.10 o
1 1 0 29.29 40.28 3.74 o
2 1 0 11282.61 11162.54 288.62 o
3 1 0 4720.02 4620.76 96.25 o
4 1 0 11613.89 11130.27 224.39 o
5 1 0 1465.82 1473.69 39.39 o
6 1 0 3368.35 3248.15 76.42 o
7 1 0 2173.40 2012.76 54.26 o
8 1 0 2570.08 2383.29 81.81 o
9 1 0 615.57 637.89 29.93 o
-9 2 0 107.23 123.53 17.28 o
-8 2 0 2519.14 2468.39 67.54 o
-7 2 0 21.82 18.55 9.66 o
-6 2 0 7740.78 7637.52 163.34 o
-5 2 0 645.57 653.71 16.97 o
-4 2 0 16827.51 16178.38 397.03 o
-3 2 0 55.87 74.81 5.76 o
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0 2 0 19871.91 19465.69 585.97 o
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2 2 0 6108.98 6192.04 149.50 o
3 2 0 4131.19 4103.84 86.20 o
4 2 0 6962.70 6747.75 139.42 o
5 2 0 3013.59 2924.16 67.74 o
6 2 0 2446.35 2378.84 86.79 o
7 2 0 3655.48 3512.76 83.69 o
8 2 0 859.74 794.44 51.29 o
9 2 0 1584.30 1498.24 47.88 o
-9 3 0 11.47 19.34 13.43 o
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-7 3 0 29.34 33.67 10.91 o
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-2 3 0 13585.00 13042.28 215.73 o
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0 3 0 16778.54 15580.82 882.90 o
1 3 0 4439.13 4375.43 69.94 o
2 3 0 7214.01 7343.60 116.06 o
3 3 0 10263.73 10541.98 211.03 o
4 3 0 8160.81 8174.24 166.86 o
5 3 0 5051.62 5049.78 108.91 o
6 3 0 268.28 273.59 16.56 o
7 3 0 5650.73 5379.25 120.08 o
8 3 0 663.28 493.62 62.29 o
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-7 4 0 106.14 101.79 13.90 o
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-5 4 0 2658.35 2632.11 43.09 o
-4 4 0 16947.68 16635.60 254.43 o
-3 4 0 2993.34 2986.22 43.39 o
-2 4 0 12111.13 11781.18 260.06 o
-1 4 0 16969.68 16791.04 231.04 o
0 4 0 12067.49 11716.30 308.18 o
1 4 0 7864.81 7798.39 106.95 o
2 4 0 1939.25 1974.05 34.43 o
3 4 0 5503.92 5561.27 90.33 o
4 4 0 3270.94 3243.61 79.73 o
5 4 0 3066.22 3071.49 70.59 o
6 4 0 120.45 142.82 12.87 o
7 4 0 2677.48 2588.56 65.44 o
8 4 0 32.41 14.90 15.57 o
-9 5 0 394.56 374.75 25.89 o
-8 5 0 2048.51 1961.73 119.81 o
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-5 5 0 2043.86 2069.15 38.49 o
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-3 5 0 3130.46 3061.49 63.13 o
-2 5 0 6619.24 6673.84 123.87 o
-1 5 0 4044.31 4055.15 58.97 o
0 5 0 8834.33 8968.38 145.45 o
1 5 0 6135.40 6156.79 85.95 o
2 5 0 354.68 357.41 8.96 o
3 5 0 5707.62 5929.09 96.71 o
4 5 0 2732.07 2727.98 84.51 o
5 5 0 1799.51 1688.25 55.65 o
6 5 0 15.10 17.53 23.88 o
7 5 0 4141.44 3987.22 114.62 o
8 5 0 0.12 3.32 19.52 o
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-5 6 0 3530.70 3514.22 96.97 o
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0 6 0 4246.30 4283.79 73.68 o
1 6 0 5876.57 5829.44 98.45 o
2 6 0 15.87 21.15 4.93 o
3 6 0 7726.60 7942.71 130.93 o
4 6 0 21.51 34.05 14.12 o
5 6 0 4951.62 4794.47 162.79 o
6 6 0 47.50 35.30 18.69 o
7 6 0 2812.85 2756.67 110.05 o
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-4 7 0 1739.75 1779.60 48.38 o
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0 7 0 630.34 644.43 17.77 o
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4 7 0 153.38 143.17 13.13 o
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6 7 0 324.47 335.14 33.64 o
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2 8 0 136.52 167.40 20.47 o
3 8 0 3073.74 3295.68 79.29 o
4 8 0 180.83 191.42 16.30 o
5 8 0 2339.03 2360.12 63.69 o
6 8 0 736.23 754.27 32.57 o
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-1 9 0 3889.66 3843.57 70.43 o
0 9 0 16.98 9.87 6.76 o
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2 9 0 477.86 505.29 49.01 o
3 9 0 2665.04 2871.22 175.87 o
4 9 0 291.05 309.85 20.99 o
5 9 0 1600.73 1701.50 52.57 o
-6 10 0 5.28 17.03 18.27 o
-5 10 0 2316.61 2289.05 83.47 o
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-3 10 0 2145.28 2027.01 74.75 o
-2 10 0 138.36 132.89 19.10 o
-1 10 0 3270.24 3184.41 102.16 o
0 10 0 1009.03 961.50 31.99 o
1 10 0 2423.30 2485.94 78.51 o
2 10 0 990.73 1044.26 58.97 o
3 10 0 1176.90 1301.49 92.82 o
-4 11 0 112.10 99.25 20.76 o
-3 11 0 1538.69 1415.29 60.63 o
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-1 11 0 2013.83 1904.92 72.68 o
0 11 0 716.25 710.65 34.05 o
1 11 0 1249.22 1251.60 45.68 o
2 11 0 1476.96 1512.47 68.94 o
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-1 -11 1 1334.51 1371.98 58.14 o
0 -11 1 313.26 311.03 19.49 o
1 -11 1 1079.29 934.39 46.10 o
2 -11 1 9.35 34.47 15.78 o
3 -11 1 1590.92 1423.60 60.63 o
4 -11 1 48.09 35.71 17.44 o
-4 -10 1 697.25 821.39 76.83 o
-3 -10 1 1768.47 1852.16 135.38 o
-2 -10 1 114.78 149.59 14.38 o
-1 -10 1 2248.18 2238.42 89.91 o
0 -10 1 4.88 -4.78 8.50 o
1 -10 1 3580.75 3448.53 109.22 o
2 -10 1 10.94 2.49 12.87 o
3 -10 1 3183.66 3026.19 99.67 o
4 -10 1 8.73 17.86 14.12 o
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6 -10 1 81.44 87.21 21.18 o
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0 -9 1 31.05 26.46 8.37 o
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2 -9 1 204.63 237.96 21.18 o
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4 -9 1 87.55 96.35 17.03 o
5 -9 1 1345.12 1307.32 53.99 o
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7 -9 1 1139.37 1026.17 50.66 o
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-4 -8 1 109.07 112.62 14.54 o
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-2 -8 1 56.19 69.16 12.87 o
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0 -8 1 617.22 634.60 18.42 o
1 -8 1 4852.52 4698.58 97.01 o
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1 -7 1 3754.98 3779.43 78.66 o
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1 -4 1 8041.57 8152.71 154.16 o
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4 -4 1 5233.25 5179.07 84.18 o
5 -4 1 67.92 73.11 7.43 o
6 -4 1 4109.19 3914.01 92.78 o
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9 -4 1 96.96 80.53 17.03 o
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0 -3 1 15358.99 15231.08 295.59 o
1 -3 1 3573.72 3744.22 100.08 o
2 -3 1 12183.05 11547.12 179.22 o
3 -3 1 86.30 87.58 4.05 o
4 -3 1 13306.31 13313.07 164.68 o
5 -3 1 410.93 428.45 16.71 o
6 -3 1 4774.48 4616.00 350.29 o
7 -3 1 11.21 13.25 9.60 o
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9 -3 1 157.35 176.20 41.94 o
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0 -2 1 42140.45 35717.54 840.61 o
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3 -2 1 1172.58 1283.17 21.45 o
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-1 2 12 267.44 253.37 34.26 o
0 2 12 3517.44 3475.82 81.53 o
1 2 12 368.90 406.93 56.69 o
2 2 12 1294.75 1271.60 52.33 o
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-5 3 12 205.16 230.49 21.22 o
-4 3 12 2369.33 2255.12 61.90 o
-3 3 12 73.09 69.09 24.50 o
-2 3 12 1850.64 1712.75 56.27 o
-1 3 12 2.94 16.39 12.54 o
0 3 12 1764.06 1670.90 48.64 o
1 3 12 3.93 6.62 12.71 o
-5 4 12 56.30 49.13 15.82 o
-4 4 12 2378.51 2191.43 80.57 o
-3 4 12 54.29 50.26 28.86 o
-2 4 12 2819.68 2517.18 66.15 o
-1 4 12 30.12 33.41 13.82 o
0 4 12 3087.96 2897.29 152.20 o
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-2 5 12 1350.55 1284.61 71.64 o
-3 -5 13 1814.82 1690.36 70.81 o
-2 -5 13 13.32 4.30 11.97 o
-1 -5 13 1754.79 1729.15 47.04 o
0 -5 13 22.52 11.15 22.63 o
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-3 -4 13 2345.62 2215.07 55.56 o
-2 -4 13 176.75 165.00 16.43 o
-1 -4 13 1320.51 1396.16 40.25 o
0 -4 13 224.32 217.03 17.51 o
1 -4 13 1469.38 1494.67 43.19 o
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-3 -3 13 1819.54 1805.28 47.54 o
-2 -3 13 117.82 198.35 56.69 o
-1 -3 13 1235.72 1250.28 37.37 o
0 -3 13 592.44 577.65 25.05 o
1 -3 13 1271.47 1368.98 38.51 o
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-4 -2 13 544.18 518.28 37.79 o
-3 -2 13 2121.86 2089.30 79.73 o
-2 -2 13 1126.23 1122.60 38.62 o
-1 -2 13 1425.74 1414.07 39.87 o
0 -2 13 738.58 757.67 28.12 o
1 -2 13 1592.77 1584.32 64.37 o
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-4 -1 13 990.18 968.45 50.66 o
-3 -1 13 1852.55 1862.14 72.26 o
-2 -1 13 1677.78 1669.86 67.28 o
-1 -1 13 1061.98 1059.81 50.66 o
0 -1 13 1666.03 1670.87 68.94 o
1 -1 13 873.66 837.22 46.10 o
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-4 0 13 893.43 878.73 35.21 o
-3 0 13 752.27 724.67 41.94 o
-2 0 13 1566.94 1468.04 61.05 o
-1 0 13 438.50 443.53 34.88 o
0 0 13 1393.75 1427.34 59.39 o
1 0 13 269.66 274.92 29.07 o
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-3 1 13 679.22 686.64 31.04 o
-2 1 13 1556.32 1531.10 83.26 o
-1 1 13 108.68 93.85 22.84 o
0 1 13 1603.13 1526.18 61.05 o
1 1 13 14.86 30.32 16.61 o
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-3 2 13 146.14 159.87 18.62 o
-2 2 13 2317.86 2133.59 88.66 o
-1 2 13 159.42 161.04 19.14 o
0 2 13 2057.74 2054.78 57.11 o
-3 3 13 40.44 42.59 20.14 o
-2 3 13 1927.14 1822.19 54.31 o
-1 3 13 33.94 20.38 13.46 o
-2 -2 14 1031.60 1006.92 34.41 o
-3 -1 14 730.33 817.28 49.00 o
-2 -1 14 1300.91 1267.45 58.56 o
-2 0 14 1567.01 1517.87 65.20 o