#------------------------------------------------------------------------------
#$Date: 2018-12-15 05:31:49 +0200 (Sat, 15 Dec 2018) $
#$Revision: 212612 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/14/2021422.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_2021422
_cell_angle_alpha                90.000
_cell_angle_beta                 100.123
_cell_angle_gamma                90.000
_cell_length_a                   14.9367
_cell_length_b                   15.7910
_cell_length_c                   33.5896
_exptl_crystal_F_000             3440.00
_reflns_d_resolution_high        0.8197
_cod_data_source_file            yp3171IAM_MoProsup4.hkl
_cod_data_source_block           IAM_MoPro
_shelx_title                     ' written by MoPro v18'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            708.68
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
0 0 4 60.084 102.364 8.137 o
0 0 6 8182.704 9075.489 109.200 o
0 0 8 21487.805 17681.008 244.119 o
0 0 10 7547.677 8692.761 135.898 o
0 0 12 4771.592 5118.893 95.617 o
0 0 14 19802.506 20890.189 336.054 o
0 0 16 23716.602 25065.488 459.710 o
0 0 18 339.942 320.494 37.780 o
0 0 20 442.113 610.555 48.872 o
0 0 22 11273.644 10688.051 214.296 o
0 0 24 2566.916 2426.974 96.583 o
0 0 26 34.103 46.996 52.198 o
0 0 28 28.438 44.707 52.964 o
0 0 30 1251.163 1277.068 87.674 o
0 0 32 903.662 903.851 90.615 o
0 0 34 1164.888 1404.605 124.503 o
0 2 0 1944.914 1621.381 27.286 o
0 2 1 20674.605 19998.869 153.311 o
0 2 2 21553.740 21078.570 165.151 o
0 2 3 4993.468 4711.973 43.068 o
0 2 4 23892.723 21185.359 161.536 o
0 2 5 1046.424 1169.836 18.184 o
0 2 6 5508.867 4968.916 48.420 o
0 2 7 53873.305 51439.020 398.265 o
0 2 8 29460.551 29452.400 253.674 o
0 2 9 31058.264 32100.865 289.586 o
0 2 10 1432.337 1405.382 30.813 o
0 2 12 1666.656 1975.980 41.055 o
0 2 13 6126.366 6604.382 87.234 o
0 2 14 9664.440 10288.454 124.782 o
0 2 15 103714.625 106640.359 1029.534 o
0 2 16 1565.650 1923.137 54.214 o
0 2 17 3898.422 3999.656 73.057 o
0 2 18 3554.146 4042.913 79.661 o
0 2 19 622.858 771.051 38.879 o
0 2 20 133.593 138.457 26.899 o
0 2 21 62.579 101.251 26.672 o
0 2 22 3938.376 3946.970 85.418 o
0 2 23 4341.226 4387.354 92.369 o
0 2 24 863.999 821.917 46.158 o
0 2 25 502.547 511.895 41.116 o
0 2 26 3165.407 2979.895 84.054 o
0 2 27 1099.523 1116.698 61.595 o
0 2 28 1331.701 1406.642 62.142 o
0 2 30 2651.483 2654.370 87.633 o
0 2 32 174.739 272.913 47.595 o
0 2 33 578.370 506.257 59.432 o
0 2 35 15.019 226.175 92.207 o
0 2 36 282.653 205.081 58.509 o
0 2 37 390.818 326.732 64.370 o
0 2 38 0.665 126.352 72.900 o
0 2 39 6.980 26.966 66.266 o
0 2 40 113.350 195.960 86.237 o
0 4 0 248568.953 235802.859 2732.578 o
0 4 1 79751.656 80841.023 667.047 o
0 4 2 224676.406 214821.047 1835.589 o
0 4 3 2304.354 2623.417 36.712 o
0 4 4 640.500 655.177 19.851 o
0 4 5 14336.478 13839.655 139.538 o
0 4 6 15242.028 13862.785 140.781 o
0 4 7 18248.326 16939.391 167.783 o
0 4 8 3963.167 3917.669 55.320 o
0 4 9 42262.258 44782.672 418.331 o
0 4 10 10.475 49.649 18.922 o
0 4 11 11841.349 12570.293 142.442 o
0 4 12 4401.837 4927.746 71.786 o
0 4 13 3841.517 4527.686 69.242 o
0 4 14 188.499 174.659 20.607 o
0 4 15 26479.527 27653.326 292.281 o
0 4 16 1373.320 1586.894 44.557 o
0 4 17 3670.776 3848.419 68.917 o
0 4 18 4700.689 5475.539 91.784 o
0 4 19 24.293 51.087 25.453 o
0 4 20 561.922 484.437 33.726 o
0 4 21 1054.336 970.823 47.212 o
0 4 22 6535.384 6142.187 112.996 o
0 4 23 127.128 158.387 33.849 o
0 4 24 29.225 9.604 25.950 o
0 4 25 641.055 689.852 52.128 o
0 4 26 182.756 116.124 36.729 o
0 4 27 87.967 144.040 39.671 o
0 4 28 3197.935 2837.260 91.459 o
0 4 29 334.000 399.814 48.355 o
0 4 30 742.893 660.917 57.302 o
0 4 31 2228.940 1871.691 83.611 o
0 4 32 25.001 172.842 58.316 o
0 4 33 2989.287 2889.464 106.985 o
0 4 34 8.198 145.371 54.405 o
0 4 35 241.070 240.364 64.189 o
0 4 36 660.082 561.962 79.522 o
0 4 37 245.703 273.985 73.846 o
0 4 38 13.264 131.934 64.452 o
0 4 39 117.268 139.347 67.919 o
0 6 0 47103.848 48164.391 534.227 o
0 6 1 20.003 43.264 19.657 o
0 6 2 41258.078 43332.703 385.607 o
0 6 3 99246.055 102290.063 931.016 o
0 6 4 14066.622 13604.916 143.832 o
0 6 5 23355.615 24744.139 255.404 o
0 6 6 849.673 1157.691 34.423 o
0 6 7 14699.546 14177.640 168.900 o
0 6 8 571.366 666.323 30.702 o
0 6 9 7515.557 7380.329 109.524 o
0 6 10 11517.124 13027.960 171.969 o
0 6 11 0.829 80.886 24.747 o
0 6 12 4583.203 4273.960 74.770 o
0 6 13 11291.021 11131.938 146.751 o
0 6 14 14374.262 14226.358 179.404 o
0 6 15 9475.099 8927.382 117.882 o
0 6 16 87.276 117.638 22.755 o
0 6 17 8486.644 9029.771 121.882 o
0 6 18 3722.590 3918.555 73.097 o
0 6 19 185.557 264.618 27.514 o
0 6 20 2593.068 2424.120 61.609 o
0 6 21 559.798 531.530 38.109 o
0 6 22 1248.878 1423.955 57.693 o
0 6 23 1683.749 1567.544 63.506 o
0 6 24 391.188 434.074 41.863 o
0 6 25 0.072 35.226 53.284 o
0 6 26 190.148 169.151 39.853 o
0 6 27 163.917 249.540 42.980 o
0 6 28 621.618 643.878 54.772 o
0 6 29 55.204 67.623 43.759 o
0 6 30 929.824 842.825 63.557 o
0 6 31 5.988 143.713 64.174 o
0 6 32 968.188 948.453 74.654 o
0 6 33 0.208 27.181 51.647 o
0 6 34 42.777 108.566 68.896 o
0 6 35 2176.089 2197.629 118.679 o
0 6 36 425.646 529.360 89.652 o
0 6 37 1.180 12.499 70.752 o
0 6 38 1067.725 1270.188 135.603 o
0 8 0 11948.518 11687.242 184.623 o
0 8 1 291.288 220.487 22.156 o
0 8 2 40961.590 41053.031 374.507 o
0 8 3 4686.182 4381.222 68.247 o
0 8 4 804.123 773.292 31.741 o
0 8 5 31.131 27.676 27.334 o
0 8 6 5289.950 5400.196 86.555 o
0 8 7 19012.607 18661.990 207.518 o
0 8 8 5461.722 5991.334 86.839 o
0 8 9 994.094 919.490 38.314 o
0 8 10 541.912 432.287 29.895 o
0 8 11 1767.129 1766.378 54.314 o
0 8 12 2010.091 2145.710 59.719 o
0 8 13 545.537 538.495 33.782 o
0 8 14 211.162 218.628 28.827 o
0 8 15 2444.292 2525.456 64.340 o
0 8 16 361.122 398.662 33.640 o
0 8 17 93.497 124.791 35.532 o
0 8 18 1917.204 2069.236 63.551 o
0 8 19 1274.678 1444.722 56.401 o
0 8 20 4763.756 4911.742 102.040 o
0 8 21 2147.248 2260.856 78.357 o
0 8 22 1137.999 1199.117 61.464 o
0 8 23 5.834 100.908 43.816 o
0 8 24 501.267 384.070 46.065 o
0 8 25 0.300 35.504 39.319 o
0 8 26 97.039 127.519 45.479 o
0 8 27 121.266 121.475 47.113 o
0 8 28 266.778 198.371 48.801 o
0 8 29 575.668 614.525 75.930 o
0 8 30 206.042 252.894 60.364 o
0 8 31 3.471 43.787 67.993 o
0 8 32 4.049 28.576 65.573 o
0 8 33 2.863 21.338 58.348 o
0 8 34 10.788 34.913 71.131 o
0 8 35 201.772 300.961 82.214 o
0 8 36 64.154 57.367 89.789 o
0 10 0 221.927 204.229 32.943 o
0 10 1 0.694 6.780 20.141 o
0 10 2 2620.673 2323.305 55.706 o
0 10 3 290.972 312.908 27.343 o
0 10 4 18254.592 18547.523 215.378 o
0 10 5 5943.477 5853.817 93.504 o
0 10 6 368.273 316.457 29.282 o
0 10 7 910.658 895.501 39.603 o
0 10 8 2889.593 2788.629 66.309 o
0 10 9 2543.215 2567.926 64.989 o
0 10 10 1491.276 1739.066 51.519 o
0 10 11 1451.062 1682.492 51.824 o
0 10 12 3586.317 3713.530 76.423 o
0 10 13 4596.689 4415.267 91.903 o
0 10 14 1102.782 1125.576 52.564 o
0 10 15 227.739 231.686 35.070 o
0 10 16 6247.497 6280.127 124.117 o
0 10 17 8198.795 7816.825 144.610 o
0 10 18 33.925 50.800 34.421 o
0 10 19 2063.976 2301.819 81.338 o
0 10 20 2066.771 2213.632 81.525 o
0 10 21 8444.146 8566.149 179.346 o
0 10 22 10.528 87.345 56.750 o
0 10 23 683.353 689.677 61.956 o
0 10 24 585.836 555.351 58.724 o
0 10 25 269.855 256.093 59.828 o
0 10 26 0.078 88.259 54.815 o
0 10 27 3473.301 2934.000 134.963 o
0 10 28 175.891 317.056 68.054 o
0 10 29 858.448 783.430 84.145 o
0 10 30 142.865 109.232 62.144 o
0 10 31 2.505 26.167 61.483 o
0 10 32 105.783 51.317 82.569 o
0 10 33 54.978 96.812 70.328 o
0 10 34 39.867 123.187 73.098 o
0 12 0 1515.978 1537.013 78.481 o
0 12 1 1005.610 1061.335 49.747 o
0 12 2 3737.009 3675.795 79.195 o
0 12 3 50.726 43.912 33.628 o
0 12 4 1755.203 1586.540 56.710 o
0 12 5 179.539 210.293 32.892 o
0 12 6 3361.140 3312.968 77.547 o
0 12 7 5963.063 5863.601 105.305 o
0 12 8 1869.930 1712.413 60.164 o
0 12 9 17.004 58.131 39.882 o
0 12 10 2933.233 2786.690 80.849 o
0 12 11 2440.149 2550.554 78.351 o
0 12 12 2582.259 2678.297 81.172 o
0 12 13 2346.905 2401.364 89.577 o
0 12 14 204.125 239.077 46.709 o
0 12 15 1509.715 1382.656 73.776 o
0 12 16 63.377 107.880 58.825 o
0 12 17 0.123 66.187 59.563 o
0 12 18 343.123 330.670 62.046 o
0 12 19 1593.638 1692.335 100.863 o
0 12 20 645.027 627.890 72.238 o
0 12 21 567.242 538.551 70.287 o
0 12 22 299.738 231.723 62.128 o
0 12 23 240.969 203.143 61.789 o
0 12 24 489.784 537.563 77.624 o
0 12 25 85.148 201.891 62.772 o
0 12 26 13.774 141.826 77.786 o
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0 12 28 653.112 584.947 80.771 o
0 12 29 146.520 210.743 67.011 o
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0 14 4 80.584 84.953 62.998 o
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