#------------------------------------------------------------------------------
#$Date: 2019-08-01 07:04:06 +0300 (Thu, 01 Aug 2019) $
#$Revision: 217347 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/84/2108459.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_2108459
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   8.6793
_cell_length_b                   9.0674
_cell_length_c                   10.6085
_exptl_crystal_F_000             376.00
_reflns_d_resolution_high        0.4000
_cod_data_source_file            px5016Multipolarsup2.hkl
_cod_data_source_block           Multipolar
_shelx_title                     ' written by MoPro v18'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            68.07
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -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 1 0 48.239 51.522 1.095 o
0 -2 0 335.903 381.039 16.062 o
-1 3 0 1253.571 1259.803 96.535 o
-3 0 -1 115.669 115.717 1.221 o
0 1 1 13.772 13.802 0.510 o
1 1 -1 121.897 120.463 3.219 o
-1 1 -1 121.423 122.407 2.154 o
2 -1 1 224.124 222.874 5.508 o
2 1 1 223.450 224.230 3.634 o
0 2 -1 46.430 48.071 2.181 o
-2 2 1 681.930 685.771 15.593 o
2 2 1 682.122 687.774 11.775 o
-1 -3 -1 441.890 458.113 5.072 o
1 -3 -1 442.014 448.002 7.252 o
-1 0 -2 571.706 543.107 15.275 o
-2 0 -2 147.156 150.557 1.719 o
1 -1 2 352.320 367.189 5.454 o
-1 1 -2 352.227 359.655 5.959 o
0 2 -2 156.108 169.782 3.972 o
1 -2 2 296.933 305.774 5.422 o
-1 -2 2 296.710 301.383 4.276 o
2 -2 2 1044.759 1134.177 86.795 o
0 3 2 588.999 609.431 9.517 o
-1 0 -3 556.951 532.070 13.705 o
-2 0 -3 2.884 3.164 0.196 o
0 1 -3 3.541 3.492 0.230 o
-1 -1 -3 1052.144 981.097 73.849 o
-1 1 -3 1051.293 1027.858 74.384 o
2 -1 3 220.869 218.245 5.136 o
-2 -1 3 220.801 219.674 2.286 o
0 -2 3 248.284 243.736 5.040 o
1 -2 3 249.016 250.820 3.304 o
1 2 3 249.014 252.209 5.754 o
0 0 4 23.304 22.720 0.871 o
-4 0 0 809.199 806.122 35.856 o
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2 3 0 432.370 440.729 4.065 o
-3 -3 0 6.968 6.650 0.561 o
0 -4 0 2.310 2.042 1.070 o
1 4 0 692.181 732.510 10.808 o
4 0 -1 436.567 436.168 6.248 o
4 -1 1 482.328 483.947 15.200 o
4 1 1 482.349 482.099 7.068 o
-2 -3 -1 44.523 46.440 0.897 o
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3 2 2 455.837 461.665 9.588 o
1 -3 2 350.987 349.470 3.839 o
-1 -3 2 351.571 350.763 5.996 o
2 -3 2 1565.700 1634.171 124.578 o
0 4 -2 0.858 1.951 0.535 o
3 0 -3 84.227 86.220 1.591 o
3 -1 3 646.156 637.579 12.971 o
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-2 -2 -3 188.340 192.011 5.254 o
2 -2 -3 188.532 192.556 4.290 o
0 3 3 181.134 197.924 4.804 o
-1 0 -4 1803.067 1652.626 120.832 o
2 0 4 458.206 464.522 7.027 o
0 -1 4 116.528 116.743 1.413 o
1 -1 4 242.075 244.149 4.527 o
1 -1 -4 242.015 247.630 3.326 o
-2 -1 4 1073.556 1011.969 27.826 o
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1 2 -4 562.884 575.227 10.670 o
-1 2 -4 562.095 562.388 9.411 o
0 -1 -5 154.061 157.325 2.634 o
2 -4 0 0.119 0.743 0.241 o
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3 -3 -1 14.833 15.537 0.758 o
-2 -4 -1 738.754 742.673 13.564 o
2 4 1 738.656 735.511 10.597 o
-4 0 2 627.951 627.241 8.287 o
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-4 2 2 283.642 285.421 6.400 o
-4 -2 2 283.493 281.019 3.858 o
-3 -3 -2 1063.232 1060.093 37.090 o
3 -3 -2 1061.654 1106.172 17.453 o
1 4 -2 56.314 61.039 2.000 o
-1 4 -2 55.984 57.549 1.430 o
2 -4 2 596.743 602.640 8.061 o
2 -4 -2 596.711 589.364 11.819 o
-4 0 -3 0.992 1.110 0.156 o
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-4 1 -3 60.526 57.505 0.915 o
3 -2 3 158.219 161.118 4.629 o
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-2 -3 -3 459.993 465.378 6.677 o
2 -3 -3 459.757 461.999 5.924 o
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-3 -3 3 138.853 140.104 2.350 o
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1 -4 3 291.571 286.115 6.397 o
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2 -2 4 161.602 163.878 3.313 o
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0 3 4 341.869 343.437 4.474 o
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0 -2 -5 1400.587 1316.852 96.321 o
-1 -2 -5 247.503 255.313 4.245 o
1 -2 -5 246.667 246.549 3.886 o
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5 -1 1 96.718 97.412 2.900 o
5 1 1 96.851 95.004 0.990 o
-4 3 1 303.531 306.365 5.426 o
4 -3 -1 304.005 310.358 6.065 o
-3 4 1 274.625 280.807 3.312 o
3 4 1 274.481 285.895 5.834 o
0 5 1 448.591 437.756 9.833 o
1 5 -1 601.202 597.764 9.384 o
1 5 1 600.596 595.187 9.133 o
2 5 -1 659.979 671.811 8.001 o
-2 5 -1 661.020 667.923 11.967 o
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4 -3 2 214.027 212.424 2.819 o
4 3 2 213.353 214.113 3.607 o
-3 -4 -2 260.422 267.197 4.044 o
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-1 5 2 1024.613 1030.267 20.325 o
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4 -2 3 212.865 214.011 5.037 o
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-2 4 3 625.712 632.704 7.587 o
-2 -4 3 626.122 621.475 7.839 o
4 0 4 131.956 128.662 1.852 o
-4 -1 -4 167.661 165.980 3.365 o
4 -1 -4 167.776 167.153 2.004 o
3 -2 4 381.908 372.453 8.965 o
3 2 4 381.806 367.143 5.130 o
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-3 -3 4 62.001 60.629 1.250 o
0 4 4 339.193 340.097 6.927 o
-1 4 4 61.651 63.179 1.238 o
-1 -4 4 61.928 63.214 1.554 o
-3 0 -5 212.077 205.400 4.108 o
-3 -1 -5 505.970 509.566 7.851 o
-3 -1 5 505.718 505.077 6.167 o
-2 2 5 99.864 98.820 2.102 o
2 -2 -5 99.521 97.168 1.791 o
0 -3 5 97.293 99.814 2.285 o
1 -3 5 436.103 435.624 4.205 o
-1 3 -5 436.264 427.062 5.911 o
-1 0 -6 369.039 364.762 4.941 o
2 0 6 5.041 4.748 0.246 o
0 -1 -6 144.447 143.721 2.020 o
1 -1 6 227.972 229.606 4.447 o
1 1 6 228.172 226.046 3.203 o
0 -2 6 209.527 205.839 3.500 o
-5 -2 0 530.416 539.785 6.767 o
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3 -5 0 255.837 255.795 3.202 o
5 2 -1 490.225 485.890 8.555 o
5 -2 -1 490.066 492.874 5.795 o
-4 -4 -1 152.318 155.511 1.836 o
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-3 -5 -1 22.513 24.074 0.777 o
3 5 1 22.474 24.855 0.749 o
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4 -3 3 644.501 650.982 14.604 o
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3 -4 -3 127.476 125.172 3.044 o
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-1 -4 -5 21.638 21.865 1.018 o
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-5 -3 -1 516.070 515.894 6.150 o
-5 -3 1 516.054 521.501 8.705 o
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-1 6 1 21.132 23.420 1.002 o
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