#------------------------------------------------------------------------------
#$Date: 2024-08-14 04:52:55 +0300 (Wed, 14 Aug 2024) $
#$Revision: 294106 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/25/2312576.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_2312576
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.727(3)
_cell_angle_beta                 107.165(3)
_cell_angle_gamma                112.180(4)
_cell_length_a                   8.1680(3)
_cell_length_b                   9.1290(4)
_cell_length_c                   9.8118(3)
_cell_volume                     594.91(5)
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_cod_data_source_file            vp30392DMAP.DITCBsup2.hkl
_cod_data_source_block           2DMAP.DITCB
_shelx_refln_list_code           4
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
-10 2 3 916.249 638.718 37.791 2.246 o
-10 2 4 10.315 10.004 3.657 978.348 o
-10 2 5 452.337 340.944 24.023 7.773 o
-10 2 6 343.182 228.718 17.390 14.540 o
-10 3 2 708.472 572.064 34.959 3.226 o
-10 3 3 1446.330 1300.070 50.767 0.854 o
-10 3 4 178.919 146.485 10.114 46.199 o
-10 3 5 804.192 677.515 29.409 2.816 o
-10 3 6 1133.520 816.809 47.544 1.437 o
-10 4 1 566.675 493.183 30.656 4.626 o
-10 4 2 6.929 13.123 4.518 657.747 o
-10 4 3 139.287 123.722 8.936 67.366 o
-10 4 4 56.957 48.261 7.458 181.698 o
-10 4 5 182.951 148.331 13.589 35.483 o
-10 4 6 514.445 375.543 25.242 6.388 o
-10 5 1 354.101 333.091 22.768 10.178 o
-10 5 2 130.167 138.845 12.460 49.580 o
-10 5 3 548.199 498.901 23.274 5.505 o
-10 5 4 319.392 272.646 15.794 15.489 o
-10 5 5 63.339 61.312 8.462 139.508 o
-10 6 1 972.275 857.719 48.547 1.639 o
-10 6 2 10.648 10.983 2.714 1688.830 o
-10 6 3 925.317 800.619 26.998 2.242 o
-10 6 4 1774.340 1419.610 53.895 0.628 o
-9 -1 4 0.135 1.599 1.717 4673.890 o
-9 -1 5 433.892 404.921 19.885 8.383 o
-9 -1 7 101.680 74.076 8.820 100.538 o
-9 0 3 2740.600 2870.000 107.163 0.211 o
-9 0 4 112.834 128.001 9.135 76.636 o
-9 0 5 580.635 596.394 20.852 4.893 o
-9 0 6 1207.400 1232.000 36.351 1.191 o
-9 0 7 46.407 50.492 5.979 267.348 o
-9 1 1 828.819 831.782 41.753 2.114 o
-9 1 2 13.651 15.934 2.790 1494.940 o
-9 1 3 96.978 98.922 6.393 128.825 o
-9 1 4 296.755 321.487 14.561 16.074 o
-9 1 5 186.410 185.073 14.614 30.398 o
-9 1 6 1338.500 1317.310 39.338 0.995 o
-9 1 7 1275.470 1210.730 50.134 1.027 o
-9 1 8 5.269 3.765 4.123 803.868 o
-9 2 1 790.618 861.226 92.452 1.049 o
-9 2 2 5.922 10.235 2.356 2327.800 o
-9 2 3 650.160 701.059 22.404 3.839 o
-9 2 4 502.078 519.145 18.450 6.472 o
-9 2 5 109.530 102.630 8.008 95.793 o
-9 2 6 580.757 547.411 18.399 5.321 o
-9 2 7 291.008 248.556 11.387 20.834 o
-9 2 8 72.889 54.858 10.577 96.499 o
-9 3 1 1433.400 1559.110 60.408 0.735 o
-9 3 2 29.683 28.163 3.319 814.774 o
-9 3 3 1348.050 1446.340 48.197 0.886 o
-9 3 4 2134.830 2110.190 84.666 0.358 o
-9 3 5 313.219 302.596 11.761 17.147 o
-9 3 6 392.934 377.008 12.896 11.400 o
-9 3 7 449.715 435.726 21.192 7.559 o
-9 3 8 23.638 18.626 4.663 549.636 o
-9 4 1 318.424 377.735 18.959 11.954 o
-9 4 2 235.975 250.282 11.480 25.813 o
-9 4 3 29.348 36.503 3.834 635.779 o
-9 4 4 1129.650 1135.350 30.066 1.408 o
-9 4 5 528.384 504.995 18.553 6.195 o
-9 4 6 66.067 58.183 5.726 227.078 o
-9 4 7 2006.320 1809.340 100.895 0.380 o
-9 4 8 400.086 349.601 39.871 5.285 o
-9 5 1 496.576 554.602 20.649 6.063 o
-9 5 2 1014.370 1111.510 49.182 1.375 o
-9 5 3 84.297 86.414 6.707 144.940 o
-9 5 4 401.543 408.664 16.042 9.920 o
-9 5 5 424.105 426.150 16.219 9.096 o
-9 5 6 537.932 489.644 18.862 6.138 o
-9 6 1 1657.460 1948.970 78.654 0.500 o
-9 6 2 1857.660 2158.700 70.846 0.436 o
-9 6 3 152.461 162.829 10.274 50.267 o
-9 6 4 550.893 558.602 27.690 4.766 o
-9 6 5 595.096 557.000 18.402 5.119 o
-9 6 6 5.936 3.801 3.765 960.384 o
-9 6 7 693.831 490.587 47.041 2.795 o
-9 7 1 8.746 9.631 3.520 1064.310 o
-9 7 2 826.071 881.297 40.298 2.097 o
-9 7 3 269.070 270.014 12.459 20.923 o
-9 7 4 245.727 233.125 12.361 24.721 o
-9 7 5 1135.930 1035.630 60.057 1.145 o
-9 7 6 495.489 338.972 24.955 6.939 o
-9 8 1 0.353 3.370 2.731 1846.430 o
-9 8 2 86.324 100.597 7.514 120.919 o
-9 8 3 47.237 44.509 5.361 316.018 o
-9 8 4 137.447 101.935 11.007 59.777 o
-9 9 1 4.103 3.012 2.546 2097.100 o
-8 -3 4 256.456 211.006 16.493 20.391 o
-8 -3 5 417.982 318.714 24.525 8.460 o
-8 -3 6 1292.420 1216.390 49.666 1.013 o
-8 -3 7 82.118 73.287 9.430 104.135 o
-8 -2 1 932.033 720.933 41.627 2.002 o
-8 -2 2 12.769 12.836 5.091 509.780 o
-8 -2 3 363.948 334.091 22.405 10.051 o
-8 -2 4 533.930 504.835 22.049 5.759 o
-8 -2 5 40.469 46.949 6.136 274.401 o
-8 -2 6 1149.130 1210.680 50.212 1.147 o
-8 -2 7 1181.890 1192.690 63.337 1.001 o
-8 -2 8 8.144 6.454 2.318 2388.780 o
-8 -1 1 677.386 712.005 48.834 2.428 o
-8 -1 2 39.477 34.228 6.562 260.557 o
-8 -1 3 419.354 425.049 22.461 7.941 o
-8 -1 4 344.762 361.028 15.875 12.497 o
-8 -1 5 79.285 83.209 9.683 99.326 o
-8 -1 6 912.326 953.722 63.986 1.372 o
-8 -1 7 428.851 418.194 27.375 6.877 o
-8 -1 8 0.954 2.053 2.082 3173.130 o
-8 0 1 2526.580 2897.730 111.901 0.225 o
-8 0 2 18.596 18.007 7.334 245.737 o
-8 0 3 702.651 760.456 28.133 3.127 o
-8 0 4 2307.300 2578.130 61.751 0.315 o
-8 0 5 171.420 183.149 13.106 35.803 o
-8 0 6 501.348 506.394 23.860 5.928 o
-8 0 7 1295.610 1271.770 36.709 1.072 o
-8 0 8 4.633 4.331 3.064 1447.470 o
-8 0 9 1249.940 1001.320 65.937 0.999 o
-8 1 1 151.735 163.306 12.882 41.288 o
-8 1 2 1067.120 1115.080 47.555 1.325 o
-8 1 3 289.123 312.528 20.845 13.176 o
-8 1 4 2794.420 2817.070 81.809 0.225 o
-8 1 5 2047.450 2110.970 75.695 0.389 o
-8 1 6 57.843 62.548 6.714 198.196 o
-8 1 7 1098.160 1034.660 38.888 1.442 o
-8 1 8 443.001 412.749 33.525 5.687 o
-8 1 9 78.462 58.167 9.718 105.989 o
-8 2 1 837.509 878.112 36.724 2.162 o
-8 2 2 1088.110 1119.500 39.883 1.383 o
-8 2 3 0.114 2.422 3.147 1391.720 o
-8 2 4 427.472 400.255 23.042 7.896 o
-8 2 5 282.619 263.606 11.616 20.739 o
-8 2 6 181.055 168.817 9.832 43.900 o
-8 2 7 712.315 686.815 25.334 3.379 o
-8 2 8 673.704 631.259 32.538 3.381 o
-8 2 9 56.479 53.992 7.762 168.705 o
-8 3 1 2028.550 2368.910 98.052 0.333 o
-8 3 2 3172.250 3654.380 101.556 0.158 o
-8 3 3 127.646 110.241 10.030 67.712 o
-8 3 4 400.798 380.224 18.571 9.695 o
-8 3 5 852.389 825.884 26.958 2.433 o
-8 3 6 43.640 39.173 4.724 398.030 o
-8 3 7 1272.120 1218.020 59.194 0.956 o
-8 3 8 1745.850 1798.720 77.314 0.500 o
-8 3 9 7.318 9.485 5.226 496.967 o
-8 4 1 17.548 24.697 5.867 371.000 o
-8 4 2 1556.740 1722.050 43.962 0.690 o
-8 4 3 665.530 657.925 24.711 3.765 o
-8 4 4 488.991 483.641 15.088 7.351 o
-8 4 5 3623.160 3716.820 69.922 0.141 o
-8 4 6 1181.970 1201.270 37.849 1.227 o
-8 4 7 10.227 6.813 5.508 446.261 o
-8 4 8 553.228 561.594 53.388 2.760 o
-8 4 9 142.520 135.784 10.105 57.767 o
-8 5 1 1.613 4.411 2.523 2152.250 o
-8 5 2 331.457 336.680 15.200 13.764 o
-8 5 3 379.126 379.099 14.813 11.327 o
-8 5 4 74.895 81.199 8.365 124.096 o
-8 5 5 331.075 331.168 14.564 14.168 o
-8 5 6 926.689 949.793 26.539 2.038 o
-8 5 7 1.744 2.673 5.671 428.558 o
-8 5 8 364.152 335.577 22.576 9.973 o
-8 6 1 57.950 48.429 5.508 269.542 o
-8 6 2 831.643 866.486 27.889 2.413 o
-8 6 3 1321.790 1406.950 40.822 0.963 o
-8 6 4 5.168 6.024 2.617 1955.480 o
-8 6 5 726.136 740.035 23.647 3.232 o
-8 6 6 629.008 664.345 29.556 3.702 o
-8 6 7 142.504 122.588 19.684 26.749 o
-8 7 1 312.535 358.657 19.170 12.379 o
-8 7 2 489.360 543.572 21.811 6.092 o
-8 7 3 1868.440 2121.060 55.097 0.467 o
-8 7 4 1184.450 1243.050 35.343 1.219 o
-8 7 5 100.785 109.789 8.869 89.873 o
-8 7 6 1101.950 1024.530 46.242 1.355 o
-8 8 1 224.703 245.708 19.200 18.601 o
-8 8 2 3.537 5.843 3.282 1265.520 o
-8 8 3 770.916 742.760 26.185 2.926 o
-8 8 4 309.690 302.213 15.586 15.354 o
-8 8 5 26.311 12.836 5.916 360.095 o
-8 9 1 1248.350 1243.690 86.799 0.752 o
-8 9 2 38.902 43.107 4.401 450.037 o
-8 9 3 302.685 346.975 32.879 7.745 o
-8 9 4 187.391 160.952 14.557 31.826 o
-7 -4 2 28.042 19.684 5.127 449.034 o
-7 -4 3 132.196 118.774 8.504 74.311 o
-7 -4 4 242.784 214.110 13.034 25.185 o
-7 -4 5 0.764 1.485 2.843 1704.680 o
-7 -4 6 986.143 1043.800 38.482 1.623 o
-7 -4 7 864.063 858.386 52.709 1.737 o
-7 -4 8 88.391 77.166 7.579 128.663 o
-7 -4 9 211.843 192.935 17.318 23.247 o
-7 -3 1 1510.910 1187.980 70.777 0.738 o
-7 -3 2 116.182 113.605 8.623 82.729 o
-7 -3 3 738.434 725.365 33.513 2.835 o
-7 -3 4 1786.650 1955.120 53.071 0.522 o
-7 -3 5 314.360 353.083 19.939 12.084 o
-7 -3 6 348.803 367.399 18.351 11.380 o
-7 -3 7 437.658 488.586 23.623 6.919 o
-7 -3 8 24.339 26.916 4.090 652.497 o
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-7 -2 2 906.029 952.235 76.550 1.173 o
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-7 -2 5 1243.160 1328.610 43.480 1.051 o
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-7 -2 7 1722.770 1700.450 62.071 0.568 o
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-7 -1 1 317.750 380.903 41.406 5.492 o
-7 -1 2 1215.900 1317.570 54.481 0.998 o
-7 -1 3 157.758 175.435 12.723 39.650 o
-7 -1 4 262.879 281.093 12.623 20.844 o
-7 -1 5 839.943 879.640 26.493 2.396 o
-7 -1 6 0.268 5.222 2.767 1795.280 o
-7 -1 7 657.437 709.003 26.540 3.568 o
-7 -1 8 1556.140 1506.610 81.924 0.595 o
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-7 0 1 1533.200 1730.280 91.950 0.526 o
-7 0 2 2783.090 3135.070 107.560 0.197 o
-7 0 3 336.020 366.398 19.305 11.448 o
-7 0 4 634.911 663.179 27.271 3.803 o
-7 0 5 1467.340 1471.150 48.662 0.795 o
-7 0 6 26.469 29.779 7.471 225.787 o
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-7 0 8 1279.190 1260.890 47.132 1.023 o
-7 0 9 4.636 13.801 5.499 450.092 o
-7 0 10 720.030 691.941 44.209 2.525 o
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-7 1 2 3870.780 4016.480 103.052 0.118 o
-7 1 3 1961.550 1914.760 81.841 0.418 o
-7 1 4 189.913 184.795 11.517 36.426 o
-7 1 5 2766.580 2739.600 129.080 0.199 o
-7 1 6 1373.320 1353.920 38.314 0.955 o
-7 1 7 190.115 176.028 8.472 44.413 o
-7 1 8 1407.270 1428.120 39.093 0.895 o
-7 1 9 456.038 450.198 23.985 6.871 o
-7 1 10 384.453 417.771 31.178 6.700 o
-7 1 11 1031.960 926.525 63.140 1.267 o
-7 2 1 257.505 249.499 21.723 14.945 o
-7 2 2 244.640 248.079 16.323 20.107 o
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-7 2 5 1413.720 1324.440 39.169 0.930 o
-7 2 6 1705.810 1697.720 45.730 0.620 o
-7 2 7 424.581 387.868 14.812 9.850 o
-7 2 8 824.477 759.144 33.696 2.458 o
-7 2 9 291.451 310.514 18.706 14.281 o
-7 2 10 15.516 13.813 4.127 742.134 o
-7 3 1 46.004 46.332 5.668 294.134 o
-7 3 2 319.302 303.639 14.562 15.374 o
-7 3 3 2249.400 2225.810 56.123 0.363 o
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-7 3 5 1112.680 1066.970 32.133 1.468 o
-7 3 6 2334.430 2207.260 51.175 0.353 o
-7 3 7 538.008 532.474 22.814 5.480 o
-7 3 8 711.048 697.437 25.242 3.361 o
-7 3 9 1085.350 1112.470 45.314 1.330 o
-7 3 10 38.086 28.453 4.648 459.072 o
-7 4 1 853.627 849.751 31.230 2.291 o
-7 4 2 1622.660 1601.270 45.118 0.684 o
-7 4 3 5564.590 5699.400 102.440 0.060 o
-7 4 4 2576.170 2694.050 60.073 0.270 o
-7 4 5 76.811 73.551 6.151 177.603 o
-7 4 6 1051.450 1000.770 33.408 1.613 o
-7 4 7 389.639 400.947 19.041 9.595 o
-7 4 8 403.715 361.822 26.129 7.937 o
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-7 5 2 120.455 108.500 6.424 101.808 o
-7 5 3 952.748 949.058 24.718 1.999 o
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-7 5 5 0.269 2.654 3.144 1394.450 o
-7 5 6 839.800 821.261 29.315 2.426 o
-7 5 7 827.540 871.634 34.645 2.251 o
-7 5 8 11.805 12.600 5.426 452.907 o
-7 5 9 306.799 251.625 13.373 18.232 o
-7 6 1 1669.040 1714.790 44.017 0.637 o
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-7 7 5 344.612 345.512 23.130 10.133 o
-7 7 6 115.176 110.117 8.753 83.057 o
-7 7 7 1201.970 1056.200 64.861 1.026 o
-7 8 1 707.168 812.865 58.372 1.906 o
-7 8 2 326.934 334.856 18.625 12.524 o
-7 8 3 7.542 9.331 3.211 1280.960 o
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-7 9 1 241.665 290.955 34.428 8.370 o
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-7 9 3 31.691 27.001 4.184 579.398 o
-7 9 4 542.543 564.835 21.334 5.396 o
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-6 -6 4 857.496 586.657 43.062 2.321 o
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-6 -2 7 60.735 76.191 7.492 159.858 o
-6 -2 8 2152.210 2127.600 87.188 0.349 o
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-6 -2 10 581.066 590.493 48.476 2.922 o
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-6 -1 2 70.007 81.036 8.079 133.944 o
-6 -1 3 1878.900 2098.140 59.339 0.460 o
-6 -1 4 52.900 54.299 7.511 181.035 o
-6 -1 5 1674.200 1799.840 44.903 0.614 o
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-6 -1 7 307.337 298.378 13.004 16.977 o
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