#------------------------------------------------------------------------------
#$Date: 2020-11-26 07:08:40 +0200 (Thu, 26 Nov 2020) $
#$Revision: 259255 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/22/2022283.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_2022283
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           ' P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  ' P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.603(1)
_cell_angle_gamma                90
_cell_length_a                   13.5302(4)
_cell_length_b                   4.6101(1)
_cell_length_c                   19.3371(6)
_cell_volume                     1172.33(6)
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_cod_data_source_file            jx3059ye2_213Ksup2.hkl
_cod_data_source_block           ye2_213K
_shelx_refln_list_code           4
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,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_f_squared_weight
_refln_observed_status
-16 -1 -1 12.291 10.849 3.399 21.514 o
-16 -1 0 17.709 20.764 1.059 67.400 o
-16 0 1 10.996 8.380 0.981 114.003 o
-16 0 2 69.962 76.256 3.307 9.868 o
-16 0 3 72.857 85.677 2.922 10.034 o
-16 0 4 6.547 4.258 0.722 209.559 o
-16 0 5 8.862 7.251 0.840 146.347 o
-16 0 6 20.212 22.117 1.790 42.493 o
-16 0 7 0.978 0.630 0.521 736.522 o
-16 0 8 26.076 28.077 2.337 27.968 o
-16 0 9 0.922 0.344 0.460 920.198 o
-16 0 10 48.958 47.371 2.008 19.896 o
-16 0 11 33.883 25.249 1.673 33.403 o
-16 0 12 9.794 9.135 1.231 96.534 o
-16 1 1 31.186 30.411 4.213 12.242 o
-16 1 2 39.347 38.924 2.593 19.732 o
-16 1 3 54.033 55.835 2.481 15.589 o
-16 1 4 34.410 38.145 2.403 22.623 o
-16 1 5 16.799 14.985 0.996 78.886 o
-16 1 6 27.658 29.199 2.212 28.647 o
-16 1 7 30.974 36.365 1.716 31.334 o
-16 1 8 20.125 22.428 1.561 47.828 o
-16 1 9 6.646 6.878 0.850 167.023 o
-15 -2 -2 45.433 51.333 2.578 17.157 o
-15 -2 -1 8.370 8.222 0.714 162.562 o
-15 -2 0 29.572 32.401 6.212 6.513 o
-15 -1 -5 10.218 5.040 2.110 50.241 o
-15 -1 -4 10.879 12.150 1.319 82.158 o
-15 -1 -3 19.187 19.342 0.987 68.126 o
-15 -1 -2 15.434 13.570 0.887 90.370 o
-15 -1 -1 0.758 1.230 0.548 673.302 o
-15 -1 0 4.468 4.177 0.752 240.033 o
-15 0 1 13.328 14.118 1.414 69.046 o
-15 0 2 60.511 62.988 2.227 14.807 o
-15 0 3 3.104 1.751 0.703 330.167 o
-15 0 4 2.755 2.569 0.688 336.095 o
-15 0 5 13.462 13.227 0.898 97.829 o
-15 0 6 1.782 1.496 0.600 481.671 o
-15 0 7 9.295 8.105 0.991 123.150 o
-15 0 8 1.581 1.517 0.650 449.202 o
-15 0 9 0.208 0.083 0.694 571.222 o
-15 0 10 7.292 5.991 0.713 188.059 o
-15 0 11 2.853 1.850 0.547 437.742 o
-15 0 12 3.557 5.283 0.689 268.271 o
-15 0 13 6.828 8.743 0.747 171.486 o
-15 0 14 5.092 7.026 1.286 115.367 o
-15 0 15 7.529 4.102 1.289 110.426 o
-15 1 1 1.916 2.295 0.541 495.208 o
-15 1 2 1.047 1.107 0.537 658.903 o
-15 1 3 18.979 18.597 0.989 69.328 o
-15 1 4 36.780 42.735 2.231 22.614 o
-15 1 5 50.136 57.144 2.287 17.060 o
-15 1 6 48.969 54.415 4.733 8.595 o
-15 1 7 13.884 13.869 1.610 59.815 o
-15 1 8 36.572 39.484 2.216 23.317 o
-15 1 9 22.011 23.172 1.467 47.597 o
-15 1 10 3.356 2.910 0.696 305.146 o
-15 1 11 15.954 13.805 4.219 14.225 o
-15 1 12 9.305 8.600 1.182 103.497 o
-15 1 13 18.013 22.037 2.520 29.954 o
-15 1 14 64.342 75.465 5.626 5.950 o
-15 1 15 18.120 21.731 1.448 53.673 o
-15 2 1 5.574 4.606 0.698 228.996 o
-15 2 2 10.006 8.168 0.817 136.618 o
-15 2 3 31.670 20.679 1.427 40.213 o
-15 2 4 17.899 15.702 1.860 45.714 o
-15 2 5 26.814 27.464 2.516 25.654 o
-15 2 6 30.913 31.032 2.196 27.092 o
-15 2 7 17.567 21.239 1.679 48.170 o
-15 2 8 7.854 5.981 1.699 72.606 o
-15 2 9 28.110 28.369 3.316 17.833 o
-15 2 10 35.642 41.415 3.809 13.130 o
-15 2 11 27.277 28.506 1.899 33.275 o
-15 2 12 37.800 38.450 3.516 14.465 o
-14 -3 0 5.934 6.220 0.814 185.303 o
-14 -2 -5 9.330 8.791 1.851 59.745 o
-14 -2 -4 39.852 38.508 1.844 25.422 o
-14 -2 -3 40.678 41.034 2.584 19.236 o
-14 -2 -2 44.582 52.576 3.074 14.740 o
-14 -2 -1 26.076 24.755 1.428 43.414 o
-14 -2 0 10.166 10.759 1.065 105.179 o
-14 -1 -7 0.378 0.835 0.507 870.686 o
-14 -1 -6 11.059 11.783 1.202 89.719 o
-14 -1 -5 18.684 19.613 1.045 67.045 o
-14 -1 -4 3.684 2.646 0.691 300.911 o
-14 -1 -3 0.237 -0.232 0.535 937.470 o
-14 -1 -2 17.878 17.476 1.194 65.707 o
-14 -1 -1 26.337 23.022 1.217 48.100 o
-14 -1 0 50.140 55.138 2.183 17.758 o
-14 0 1 24.566 23.426 1.228 49.765 o
-14 0 2 5.183 4.581 0.700 236.219 o
-14 0 3 19.667 20.479 1.174 60.356 o
-14 0 4 75.820 74.757 2.030 12.174 o
-14 0 5 23.715 25.417 1.151 51.180 o
-14 0 6 0.447 1.082 0.577 678.129 o
-14 0 7 3.419 3.115 0.650 320.425 o
-14 0 8 9.519 9.586 0.868 129.801 o
-14 0 9 17.365 17.171 1.144 68.895 o
-14 0 10 4.906 3.582 0.743 239.825 o
-14 0 11 6.778 4.436 0.729 203.093 o
-14 0 12 45.403 44.275 3.771 12.169 o
-14 0 13 7.052 5.635 0.793 179.049 o
-14 0 14 1.732 1.333 0.581 512.006 o
-14 0 15 9.296 9.816 0.869 130.422 o
-14 0 16 3.293 2.139 0.645 346.648 o
-14 0 17 26.338 17.111 2.227 31.880 o
-14 1 1 12.639 9.766 0.688 124.795 o
-14 1 2 88.709 91.287 2.274 9.481 o
-14 1 3 11.128 10.678 0.799 122.543 o
-14 1 4 8.954 8.215 0.819 144.298 o
-14 1 5 62.584 68.252 2.201 14.117 o
-14 1 6 43.899 49.111 1.957 21.386 o
-14 1 7 14.927 14.615 1.269 71.808 o
-14 1 8 35.601 35.287 1.826 28.083 o
-14 1 9 1.969 2.798 0.838 282.184 o
-14 1 10 39.022 40.661 1.871 25.106 o
-14 1 11 0.484 0.015 0.673 578.550 o
-14 1 12 38.664 34.536 3.052 17.266 o
-14 1 13 9.698 10.275 2.344 41.090 o
-14 1 14 1.862 2.583 1.113 187.588 o
-14 1 15 19.361 22.691 1.852 41.572 o
-14 1 16 7.271 5.901 1.025 139.453 o
-14 1 17 4.820 4.765 0.601 271.030 o
-14 2 1 4.171 3.698 0.570 317.913 o
-14 2 2 29.442 31.529 1.366 38.470 o
-14 2 3 13.371 12.431 1.018 92.481 o
-14 2 4 21.182 25.752 1.187 53.608 o
-14 2 5 19.301 17.743 1.218 62.015 o
-14 2 6 10.767 10.853 0.886 116.865 o
-14 2 7 25.954 30.857 1.785 35.057 o
-14 2 8 48.850 50.021 1.811 20.626 o
-14 2 9 153.630 157.260 6.597 2.791 o
-14 2 10 65.922 69.223 2.548 12.557 o
-14 2 11 23.174 25.127 1.621 42.178 o
-14 2 12 30.793 35.160 1.730 31.598 o
-14 2 13 0.267 -0.099 0.621 703.303 o
-14 2 14 8.465 7.599 1.182 109.326 o
-14 2 15 0.726 0.861 0.493 821.581 o
-14 3 1 6.632 5.514 0.796 184.342 o
-14 3 2 13.997 14.933 1.177 78.038 o
-14 3 3 34.663 40.199 2.813 19.098 o
-14 3 4 9.540 9.717 0.958 120.412 o
-14 3 5 20.434 21.569 2.900 24.073 o
-14 3 6 36.923 36.770 3.833 13.129 o
-14 3 7 6.595 4.864 1.067 142.072 o
-14 3 8 65.840 74.360 4.278 8.157 o
-14 3 9 38.911 36.653 2.631 19.835 o
-13 -3 -4 13.009 14.415 2.110 43.652 o
-13 -3 -3 2.467 2.004 0.799 298.434 o
-13 -3 -2 9.192 9.684 2.303 42.801 o
-13 -3 -1 37.281 38.118 1.628 28.517 o
-13 -3 0 22.237 21.877 1.520 46.842 o
-13 -2 -8 35.516 40.215 1.943 25.952 o
-13 -2 -7 13.666 9.221 1.402 74.140 o
-13 -2 -6 1.542 1.640 0.663 435.843 o
-13 -2 -5 59.366 57.477 2.688 13.809 o
-13 -2 -4 106.756 112.881 6.885 3.543 o
-13 -2 -3 148.819 158.166 5.489 3.274 o
-13 -2 -2 119.179 115.834 5.599 4.120 o
-13 -2 -1 226.234 224.399 6.718 1.827 o
-13 -2 0 2.169 2.437 0.618 410.332 o
-13 -1 -10 100.144 118.946 5.391 4.658 o
-13 -1 -9 15.657 20.536 2.301 35.327 o
-13 -1 -8 32.106 37.528 1.651 31.122 o
-13 -1 -7 10.593 10.499 0.882 119.122 o
-13 -1 -6 39.186 37.442 1.423 29.545 o
-13 -1 -5 2.743 2.305 0.623 380.179 o
-13 -1 -4 93.375 92.480 2.508 8.726 o
-13 -1 -3 24.271 23.665 1.370 46.968 o
-13 -1 -2 35.892 32.318 1.560 31.451 o
-13 -1 -1 238.642 243.949 4.518 1.973 o
-13 -1 0 108.381 114.855 2.571 6.954 o
-13 0 1 2.824 2.666 0.754 299.126 o
-13 0 2 141.662 144.736 4.152 4.145 o
-13 0 3 70.745 63.701 2.077 13.555 o
-13 0 4 1.818 2.115 0.682 391.221 o
-13 0 5 29.301 30.863 1.315 39.585 o
-13 0 6 23.764 25.876 1.463 44.442 o
-13 0 7 76.333 78.946 3.838 8.249 o
-13 0 8 19.822 20.630 1.301 56.292 o
-13 0 9 42.096 42.112 1.472 26.607 o
-13 0 10 7.145 6.688 0.873 159.422 o
-13 0 11 0.897 1.011 0.640 533.446 o
-13 0 12 11.004 10.057 0.890 117.391 o
-13 0 13 84.704 85.686 2.154 10.303 o
-13 0 14 0.094 -0.258 0.530 994.637 o
-13 0 15 31.196 35.985 1.438 34.609 o
-13 0 16 2.529 2.372 0.561 431.635 o
-13 0 17 3.497 1.735 0.659 338.957 o
-13 0 18 0.313 0.209 0.485 1051.680 o
-13 0 19 19.422 20.962 2.344 32.438 o
-13 1 1 146.316 156.643 2.598 4.550 o
-13 1 2 70.280 72.895 1.673 13.892 o
-13 1 3 118.297 117.782 2.235 6.601 o
-13 1 4 49.485 51.489 1.633 21.142 o
-13 1 5 0.849 0.682 0.615 589.998 o
-13 1 6 92.374 93.181 2.188 9.197 o
-13 1 7 24.736 25.790 1.360 45.530 o
-13 1 8 160.159 166.644 3.831 3.636 o
-13 1 9 59.385 63.757 2.046 15.554 o
-13 1 10 81.174 83.686 2.501 10.163 o
-13 1 11 21.995 21.894 2.142 34.318 o
-13 1 12 57.705 53.621 3.230 12.371 o
-13 1 13 15.639 15.370 1.788 50.257 o
-13 1 14 6.950 5.294 1.078 136.369 o
-13 1 15 6.764 7.545 1.637 77.306 o
-13 1 16 6.676 5.724 0.739 193.356 o
-13 1 17 14.922 15.989 1.010 82.158 o
-13 1 18 22.349 14.744 1.983 39.470 o
-13 2 1 20.074 19.205 1.056 64.325 o
-13 2 2 25.884 26.444 1.131 48.220 o
-13 2 3 27.643 31.953 1.297 40.823 o
-13 2 4 20.231 21.722 1.150 59.076 o
-13 2 5 45.917 48.929 1.498 23.508 o
-13 2 6 30.734 27.045 1.304 40.152 o
-13 2 7 70.844 74.685 2.222 12.402 o
-13 2 8 68.278 80.951 2.511 11.648 o
-13 2 9 111.682 120.352 6.680 3.539 o
-13 2 10 5.616 4.864 1.210 127.964 o
-13 2 11 102.088 108.942 4.224 5.800 o
-13 2 12 37.726 38.733 2.580 20.243 o
-13 2 13 6.249 5.564 1.200 123.741 o
-13 2 14 10.461 10.341 2.051 49.532 o
-13 2 15 2.641 1.547 0.780 309.396 o
-13 2 16 21.018 27.660 1.989 35.885 o
-13 2 17 0.743 -1.055 1.055 244.201 o
-13 3 1 30.184 29.067 1.218 40.973 o
-13 3 2 2.873 2.761 0.642 352.470 o
-13 3 3 3.220 2.923 0.644 334.475 o
-13 3 4 7.399 6.535 0.795 169.820 o
-13 3 5 7.373 6.533 1.035 135.084 o
-13 3 6 23.090 22.387 1.490 46.343 o
-13 3 7 23.483 24.950 1.510 44.222 o
-13 3 8 0.337 0.314 0.611 688.337 o
-13 3 9 29.597 32.014 1.415 37.479 o
-13 3 10 108.206 106.954 3.477 6.323 o
-13 3 11 12.293 10.741 0.738 120.228 o
-13 3 12 12.610 14.509 1.130 84.980 o
-13 3 13 0.440 0.218 0.563 785.371 o
-12 -3 -7 5.281 2.813 0.829 215.815 o
-12 -3 -5 74.709 82.379 5.157 6.157 o
-12 -3 -4 6.757 7.748 0.850 161.563 o
-12 -3 -3 3.843 6.219 0.922 189.032 o
-12 -3 -2 12.261 12.138 1.196 85.762 o
-12 -3 -1 2.682 1.828 0.568 434.465 o
-12 -3 0 1.172 2.332 0.825 320.452 o
-12 -2 -10 2.109 1.602 0.732 355.748 o
-12 -2 -9 0.804 0.347 0.761 430.868 o
-12 -2 -8 8.843 9.001 0.903 132.563 o
-12 -2 -7 36.446 31.159 2.096 25.924 o
-12 -2 -6 17.291 20.235 2.125 38.039 o
-12 -2 -5 6.243 7.606 0.901 159.227 o
-12 -2 -4 129.264 140.814 3.649 4.798 o
-12 -2 -3 99.707 101.359 2.504 7.957 o
-12 -2 -2 191.211 182.890 3.354 3.063 o
-12 -2 -1 18.877 15.261 1.025 72.097 o
-12 -2 0 11.845 9.695 0.957 108.566 o
-12 -1 -12 89.233 119.297 5.626 4.717 o
-12 -1 -11 44.144 49.830 1.768 22.362 o
-12 -1 -10 21.407 23.343 1.675 43.444 o
-12 -1 -9 23.371 23.117 1.102 54.307 o
-12 -1 -8 17.075 16.950 1.132 70.226 o
-12 -1 -7 46.689 49.744 1.580 22.619 o
-12 -1 -6 194.882 191.155 3.554 2.900 o
-12 -1 -5 9.175 10.882 1.136 103.303 o
-12 -1 -4 351.973 324.735 5.723 1.075 o
-12 -1 -3 130.851 141.152 3.037 5.088 o
-12 -1 -2 63.467 52.525 2.006 15.986 o
-12 -1 -1 235.873 252.348 5.089 1.891 o
-12 -1 0 225.104 231.260 4.576 2.137 o
-12 0 1 162.502 158.347 2.947 3.976 o
-12 0 2 0.231 -0.153 0.660 631.278 o
-12 0 3 1.044 0.914 1.148 197.812 o
-12 0 4 1531.580 1530.270 18.154 0.067 o
-12 0 5 184.539 185.020 3.316 3.164 o
-12 0 6 150.176 143.366 2.677 4.602 o
-12 0 7 1070.650 1109.900 13.685 0.130 o
-12 0 8 49.356 50.066 1.496 22.106 o
-12 0 9 0.026 0.159 0.579 837.082 o
-12 0 10 167.180 163.650 3.109 3.757 o
-12 0 11 10.329 11.925 1.168 94.331 o
-12 0 12 17.353 16.128 1.085 72.372 o
-12 0 13 0.016 -0.478 0.614 762.000 o
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-12 0 15 9.571 12.395 1.022 107.723 o
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-12 0 17 22.278 19.407 1.957 38.403 o
-12 0 18 0.273 1.229 0.610 633.962 o
-12 0 19 5.101 5.673 0.989 164.195 o
-12 0 20 0.751 0.376 0.468 942.060 o
-12 1 1 380.211 396.788 5.011 0.911 o
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-12 1 5 53.076 53.419 1.578 20.044 o
-12 1 6 639.177 642.848 9.365 0.346 o
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-12 1 9 194.647 194.618 3.895 2.807 o
-12 1 10 11.385 10.700 1.071 99.722 o
-12 1 11 40.148 33.688 1.372 30.496 o
-12 1 12 30.742 25.673 1.872 32.482 o
-12 1 13 40.702 37.972 1.437 28.512 o
-12 1 14 18.381 17.863 1.124 66.797 o
-12 1 15 4.047 2.634 0.735 273.165 o
-12 1 16 13.993 12.466 1.196 80.312 o
-12 1 17 8.467 7.660 0.905 139.783 o
-12 1 18 36.371 35.668 1.522 30.636 o
-12 1 19 15.722 13.702 1.672 55.019 o
-12 1 20 1.225 0.694 0.508 711.611 o
-12 2 1 3.615 4.923 0.675 276.491 o
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-12 2 4 14.986 15.950 0.875 88.423 o
-12 2 5 12.236 12.340 0.964 100.431 o
-12 2 6 40.354 41.557 1.752 25.356 o
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-12 2 8 31.864 32.339 1.631 33.007 o
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-12 2 13 6.615 7.392 0.885 159.209 o
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-12 2 16 32.485 33.041 1.408 35.087 o
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-11 -4 -2 0.752 1.113 0.816 365.889 o
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-11 -3 -9 17.533 17.669 1.934 43.246 o
-11 -3 -8 4.252 6.838 1.686 80.295 o
-11 -3 -7 21.594 19.807 2.930 23.647 o
-11 -3 -6 58.992 60.997 6.733 4.866 o
-11 -3 -5 13.697 14.332 0.971 90.676 o
-11 -3 -4 19.247 16.866 1.175 64.326 o
-11 -3 -3 22.887 19.590 1.032 59.539 o
-11 -3 -2 3.716 3.350 0.751 266.381 o
-11 -3 -1 124.436 136.096 4.048 4.767 o
-11 -3 0 18.450 16.870 1.135 67.289 o
-11 -2 -12 2.868 3.750 1.289 136.330 o
-11 -2 -11 5.627 7.618 1.492 91.287 o
-11 -2 -10 25.079 30.717 2.061 31.539 o
-11 -2 -9 0.358 1.807 0.630 560.968 o
-11 -2 -8 31.316 29.291 1.570 35.107 o
-11 -2 -7 32.496 30.677 1.527 34.422 o
-11 -2 -6 26.418 28.691 1.872 34.121 o
-11 -2 -5 31.541 31.474 1.691 32.714 o
-11 -2 -4 53.482 55.761 1.938 18.049 o
-11 -2 -3 54.768 56.278 1.793 18.298 o
-11 -2 -2 35.638 30.518 1.751 30.008 o
-11 -2 -1 155.740 149.307 3.629 3.995 o
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