#------------------------------------------------------------------------------
#$Date: 2019-06-13 12:52:54 +0300 (Thu, 13 Jun 2019) $
#$Revision: 215936 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/55/14/1551405.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_1551405
_cell_angle_alpha                93.769(2)
_cell_angle_beta                 113.6270(10)
_cell_angle_gamma                103.020(2)
_cell_length_a                   10.2291(6)
_cell_length_b                   11.3937(6)
_cell_length_c                   12.5182(7)
_cell_volume                     1282.25(13)
_exptl_crystal_F_000             520.2235
_reflns_d_resolution_high        0.8173
_cod_data_source_file            41557_2018_137_MOESM28_ESM.fcf
_cod_data_source_block           Goldsmith051616_0m_a
_shelx_title                     ' Goldsmith051616_0m_a in P-1'
_shelx_refln_list_code           4
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -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_f_squared_weight
_refln_observed_status
-12 0 5 20.942 18.221 2.577 27.093 o
-12 0 6 18.787 21.019 3.272 25.825 o
-12 0 7 59.677 61.997 3.718 9.316 o
-12 0 8 0.528 -0.124 1.773 383.485 o
-12 1 3 4.428 10.055 4.571 42.043 o
-12 1 4 11.799 7.500 3.231 42.317 o
-12 1 5 135.488 139.363 6.386 4.016 o
-12 1 6 63.028 84.817 6.236 7.164 o
-12 1 7 4.344 5.446 2.442 86.746 o
-12 1 8 8.978 8.096 2.407 55.913 o
-12 1 9 36.686 27.081 4.103 15.290 o
-12 2 3 0.031 2.991 1.301 363.444 o
-12 2 4 11.345 15.601 3.048 37.324 o
-12 2 5 29.826 43.175 5.867 12.808 o
-12 2 6 13.085 22.926 3.774 27.890 o
-12 2 7 177.057 189.321 8.003 2.973 o
-12 2 8 17.445 18.668 3.089 28.381 o
-12 2 9 0.003 -3.844 1.308 900.300 o
-12 3 3 0.473 3.241 2.832 133.956 o
-12 3 4 1.851 28.995 4.936 29.837 o
-12 3 5 230.622 238.588 8.830 2.325 o
-12 3 6 18.866 23.364 2.797 26.168 o
-12 3 7 0.886 1.379 1.174 384.250 o
-12 3 8 1.583 3.194 1.531 201.319 o
-12 3 9 19.373 26.096 3.755 22.569 o
-12 4 3 1.007 10.604 4.936 44.206 o
-12 4 4 16.750 56.492 10.421 8.394 o
-12 4 5 57.433 67.513 6.433 7.953 o
-12 4 6 11.126 23.401 8.593 13.779 o
-12 4 7 5.648 15.611 3.536 44.065 o
-12 4 8 12.020 10.657 2.190 45.598 o
-12 4 9 4.057 8.237 2.456 78.260 o
-12 5 3 34.688 41.532 3.941 14.239 o
-12 5 4 2.898 11.335 4.571 43.822 o
-12 5 5 37.355 42.360 5.726 11.800 o
-12 5 6 6.377 9.702 4.388 40.570 o
-12 5 7 10.380 7.795 4.454 35.290 o
-12 5 8 0.056 2.961 2.194 209.079 o
-12 6 3 8.897 20.842 6.216 21.750 o
-12 6 4 1.796 20.111 5.485 30.925 o
-12 6 5 0.861 5.302 3.656 80.213 o
-12 6 6 1.868 7.535 1.714 124.711 o
-12 6 7 18.241 35.717 5.668 16.675 o
-11 -3 4 10.158 2.775 1.029 75.681 o
-11 -3 5 8.395 6.089 1.742 69.555 o
-11 -3 6 8.815 10.445 3.052 47.030 o
-11 -3 7 0.945 -1.399 1.847 309.208 o
-11 -3 8 11.935 14.774 2.299 41.002 o
-11 -3 9 80.411 69.568 4.390 7.274 o
-11 -2 2 0.443 -0.443 0.657 1315.520 o
-11 -2 3 10.151 10.802 2.063 50.944 o
-11 -2 4 2.086 3.303 2.413 127.801 o
-11 -2 5 0.832 -1.659 1.108 588.853 o
-11 -2 6 0.172 -1.308 0.799 1668.090 o
-11 -2 7 0.012 -0.941 1.734 510.239 o
-11 -2 8 5.173 4.813 1.336 106.618 o
-11 -2 9 125.452 127.119 5.936 4.388 o
-11 -2 10 21.908 20.032 2.074 26.719 o
-11 -1 1 1.059 2.026 2.323 174.113 o
-11 -1 2 0.696 -1.074 0.943 751.358 o
-11 -1 3 8.518 7.758 2.583 56.272 o
-11 -1 4 2.860 1.674 3.527 82.889 o
-11 -1 5 2.959 1.636 0.981 211.801 o
-11 -1 6 2.474 -0.301 1.689 220.700 o
-11 -1 7 34.011 31.057 3.447 16.273 o
-11 -1 8 0.152 -0.666 1.655 515.862 o
-11 -1 9 12.693 17.078 1.737 40.011 o
-11 -1 10 9.136 5.006 1.742 68.522 o
-11 -1 11 0.046 -5.198 1.782 474.814 o
-11 0 1 21.210 28.897 3.829 20.752 o
-11 0 2 1.945 2.895 1.812 172.198 o
-11 0 3 6.338 4.254 2.454 76.427 o
-11 0 4 0.846 2.819 1.161 301.185 o
-11 0 5 10.584 11.389 1.938 49.761 o
-11 0 6 133.849 136.132 5.383 4.204 o
-11 0 7 3.646 1.725 1.091 176.567 o
-11 0 8 15.384 8.408 2.322 40.410 o
-11 0 9 4.896 6.934 1.289 98.513 o
-11 0 10 0.173 -2.321 2.345 266.826 o
-11 0 11 23.714 25.438 4.402 19.202 o
-11 1 1 82.412 81.927 7.911 5.734 o
-11 1 2 0.000 2.391 1.926 270.283 o
-11 1 3 119.582 137.414 5.190 4.509 o
-11 1 4 402.892 407.380 11.078 1.356 o
-11 1 5 34.836 32.083 2.655 16.730 o
-11 1 6 1.041 2.246 1.322 287.476 o
-11 1 7 19.324 15.450 2.038 31.210 o
-11 1 8 16.696 15.933 3.389 29.244 o
-11 1 9 0.315 0.799 1.940 311.346 o
-11 1 10 44.001 46.173 4.575 11.581 o
-11 1 11 0.328 4.567 2.541 142.550 o
-11 1 12 8.118 3.291 4.753 39.645 o
-11 2 1 6.285 7.172 1.178 86.142 o
-11 2 2 178.030 195.652 5.292 3.150 o
-11 2 3 22.523 20.417 2.236 25.803 o
-11 2 4 4.340 12.178 2.150 69.883 o
-11 2 5 11.998 17.311 1.955 40.184 o
-11 2 6 210.905 225.654 9.658 2.429 o
-11 2 7 41.983 44.198 6.017 10.756 o
-11 2 8 3.887 3.567 1.808 120.915 o
-11 2 9 6.379 6.359 2.345 71.769 o
-11 2 10 14.576 18.493 3.747 28.620 o
-11 2 11 13.367 16.784 3.234 32.916 o
-11 2 12 3.109 2.891 2.285 120.133 o
-11 3 1 0.000 2.424 0.918 537.294 o
-11 3 2 0.207 2.690 1.090 407.661 o
-11 3 3 170.261 180.698 8.108 3.074 o
-11 3 4 353.140 361.195 9.578 1.566 o
-11 3 5 9.275 10.647 3.087 45.428 o
-11 3 6 22.388 23.848 3.807 21.452 o
-11 3 7 75.215 78.307 5.066 7.106 o
-11 3 8 4.160 3.351 1.766 119.737 o
-11 3 9 8.486 10.382 2.443 53.464 o
-11 3 10 31.095 29.064 3.970 16.746 o
-11 3 11 2.818 2.306 2.454 121.827 o
-11 4 1 12.171 26.506 13.712 6.697 o
-11 4 2 1.601 3.104 1.700 188.962 o
-11 4 3 91.248 104.935 5.259 5.752 o
-11 4 4 12.042 9.599 1.635 49.986 o
-11 4 5 2.984 2.701 1.874 143.337 o
-11 4 6 20.558 24.111 3.056 24.134 o
-11 4 7 86.008 100.563 6.697 5.652 o
-11 4 8 26.674 27.933 3.546 19.143 o
-11 4 9 0.834 -0.201 1.141 571.958 o
-11 4 10 0.116 -0.236 2.428 253.696 o
-11 4 11 62.177 65.031 5.033 8.393 o
-11 5 1 0.177 7.454 3.199 92.057 o
-11 5 2 0.022 2.302 0.919 549.744 o
-11 5 3 31.278 47.760 4.474 13.734 o
-11 5 4 1.444 2.688 1.521 221.101 o
-11 5 5 39.888 41.728 2.948 13.976 o
-11 5 6 0.103 -0.178 1.978 378.097 o
-11 5 7 7.384 5.428 1.694 78.030 o
-11 5 8 5.914 11.249 2.185 64.052 o
-11 5 9 2.745 6.514 1.774 116.964 o
-11 5 10 2.457 1.756 4.064 69.876 o
-11 5 11 3.505 5.032 2.128 105.658 o
-11 6 1 1.878 2.443 1.481 209.055 o
-11 6 2 0.631 13.712 4.753 43.950 o
-11 6 3 5.655 5.402 1.343 97.714 o
-11 6 4 14.950 35.645 6.592 15.700 o
-11 6 5 38.358 57.674 4.702 11.464 o
-11 6 6 245.724 219.996 10.103 2.212 o
-11 6 7 0.118 1.097 3.474 117.166 o
-11 6 8 96.220 97.652 8.036 5.020 o
-11 6 9 0.385 10.395 2.706 92.622 o
-11 6 10 2.533 8.062 3.474 66.959 o
-11 7 1 0.837 37.296 5.485 24.619 o
-11 7 2 10.617 14.538 1.832 46.337 o
-11 7 3 2.046 5.824 2.834 94.526 o
-11 7 4 1.768 6.544 1.881 128.865 o
-11 7 5 5.963 19.196 7.130 20.080 o
-11 7 6 23.892 26.872 3.962 19.735 o
-11 7 7 38.689 49.393 4.117 12.539 o
-11 7 8 90.423 112.894 9.101 4.695 o
-11 7 9 3.572 8.050 1.938 93.684 o
-11 8 1 0.575 31.811 4.753 30.758 o
-11 8 2 2.113 30.532 5.485 26.086 o
-11 8 3 26.345 34.876 3.163 18.523 o
-11 8 4 0.627 9.141 4.022 62.058 o
-11 8 6 6.044 21.382 2.673 43.888 o
-11 8 7 8.774 11.393 2.499 50.649 o
-11 8 8 2.132 6.963 3.623 68.532 o
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-11 9 4 1.392 3.599 1.370 213.766 o
-11 9 5 11.079 28.325 7.953 14.633 o
-11 9 6 0.884 4.205 2.194 157.314 o
-10 -5 4 13.409 7.892 2.174 45.679 o
-10 -5 5 3.501 5.150 2.248 101.369 o
-10 -5 6 0.383 -2.360 0.940 1011.820 o
-10 -5 7 0.004 0.802 2.741 188.511 o
-10 -5 8 40.669 40.925 4.301 12.769 o
-10 -5 9 3.644 2.672 1.800 133.285 o
-10 -4 2 30.674 32.838 4.519 15.547 o
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-10 -4 4 0.215 0.356 1.797 397.138 o
-10 -4 5 21.858 20.850 2.898 24.710 o
-10 -4 6 0.432 -0.533 1.046 849.811 o
-10 -4 7 0.736 -0.548 1.794 346.790 o
-10 -4 8 9.363 10.696 2.240 52.050 o
-10 -4 9 32.892 26.561 2.914 17.985 o
-10 -4 10 65.715 65.119 4.075 8.519 o
-10 -4 11 142.412 143.808 7.770 3.681 o
-10 -3 1 7.645 5.801 1.953 71.878 o
-10 -3 2 3.259 6.817 2.241 95.373 o
-10 -3 3 9.837 3.235 1.877 67.973 o
-10 -3 4 6.446 4.949 2.981 64.788 o
-10 -3 5 20.439 15.475 2.530 28.802 o
-10 -3 6 7.279 4.015 1.695 83.768 o
-10 -3 7 8.294 3.877 1.564 78.823 o
-10 -3 8 3.008 0.886 2.420 132.694 o
-10 -3 9 6.194 1.753 1.715 104.416 o
-10 -3 10 10.840 12.349 2.064 47.127 o
-10 -3 11 20.078 19.518 2.738 26.860 o
-10 -2 1 22.600 20.215 2.576 25.134 o
-10 -2 2 3.238 2.552 1.188 172.055 o
-10 -2 3 22.808 20.820 2.343 25.254 o
-10 -2 4 0.162 -0.836 1.026 1166.990 o
-10 -2 5 8.786 8.717 2.876 50.970 o
-10 -2 6 19.756 18.324 2.861 27.264 o
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-10 -2 8 53.115 42.171 3.686 11.197 o
-10 -2 9 33.020 32.258 3.201 16.676 o
-10 -2 10 4.015 0.110 1.393 176.267 o
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-10 -1 5 24.504 21.394 2.552 23.577 o
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-10 1 1 7.455 9.990 1.635 65.612 o
-10 1 2 1.741 3.804 1.064 213.367 o
-10 1 3 309.148 309.523 6.389 1.887 o
-10 1 4 60.807 75.761 3.642 8.645 o
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-10 1 7 61.475 56.287 3.280 9.596 o
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-10 1 11 15.533 12.961 2.904 34.075 o
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-10 2 1 64.958 68.247 4.027 8.474 o
-10 2 2 124.416 126.806 3.814 4.690 o
-10 2 3 21.840 30.760 2.262 22.883 o
-10 2 4 205.839 215.934 5.482 2.778 o
-10 2 5 4.125 8.985 1.439 93.527 o
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-10 2 7 154.451 142.236 5.856 3.746 o
-10 2 8 39.795 33.955 3.178 14.675 o
-10 2 9 186.253 191.692 7.275 2.938 o
-10 2 10 18.691 29.570 4.249 20.828 o
-10 2 11 76.648 73.657 5.386 7.047 o
-10 2 12 0.292 2.853 3.199 117.751 o
-10 2 13 1.937 3.650 1.981 151.009 o
-10 3 1 81.722 91.121 3.272 6.894 o
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-10 3 4 73.673 79.592 2.958 7.764 o
-10 3 5 81.144 93.998 3.889 6.719 o
-10 3 6 1.388 -1.264 1.870 265.343 o
-10 3 7 6.591 4.351 1.514 90.930 o
-10 3 8 33.234 39.453 3.415 15.380 o
-10 3 9 0.044 -1.644 1.900 419.263 o
-10 3 10 0.759 4.526 2.140 160.118 o
-10 3 11 21.247 19.955 3.318 24.385 o
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-10 4 4 1.109 1.001 0.896 441.365 o
-10 4 5 5.375 7.372 1.908 82.045 o
-10 4 6 8.770 7.232 1.800 64.356 o
-10 4 7 12.625 12.082 2.333 42.057 o
-10 4 8 153.065 143.407 5.319 3.814 o
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-10 4 10 2.692 1.424 1.579 188.431 o
-10 4 11 35.530 30.484 4.393 14.796 o
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-10 5 5 0.339 2.390 1.866 255.157 o
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-10 5 11 69.385 79.414 5.249 7.341 o
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-10 6 8 0.060 2.168 2.303 213.843 o
-10 6 9 31.147 16.676 2.686 21.045 o
-10 6 10 77.752 98.227 8.303 5.485 o
-10 6 11 7.088 4.645 4.011 48.481 o
-10 7 1 2.773 5.990 1.214 138.635 o
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-10 7 4 29.065 26.858 4.063 17.605 o
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-10 7 6 55.074 55.654 3.725 10.107 o
-10 7 7 6.254 5.990 2.137 76.956 o
-10 7 8 9.119 11.482 2.303 51.130 o
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-9 -4 5 0.478 1.266 1.388 407.768 o
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