#------------------------------------------------------------------------------
#$Date: 2024-12-03 05:01:28 +0200 (Tue, 03 Dec 2024) $
#$Revision: 296197 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/27/2312718.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_2312718
_cell_angle_alpha                71.986
_cell_angle_beta                 83.860
_cell_angle_gamma                85.624
_cell_length_a                   3.7244
_cell_length_b                   13.0497
_cell_length_c                   14.9818
_exptl_crystal_F_000             351.65
_reflns_d_resolution_high        0.3135
_cod_data_source_file            px5065Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' written by MoPro rev260'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            112.20
_shelx_f_squared_multiplier      1.0
loop_
_space_group_symop_operation_xyz
' x , y , z '
' -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_observed_status
0 -2 -7 236.1845 224.7342 8.1896 o
0 -1 -7 1685.1310 1566.7249 75.8993 o
0 -4 -6 1025.7891 1058.3782 50.7085 o
-1 -3 -6 402.2215 412.5601 8.0300 o
0 -3 -6 166.5104 183.0580 8.5592 o
-1 -2 -6 168.4367 175.0743 6.0951 o
0 -2 -6 217.8472 217.4366 8.3954 o
-1 -1 -6 370.2383 356.3915 8.5627 o
0 -1 -6 1036.1626 1022.0187 34.5546 o
0 0 -6 257.2471 226.5093 6.0767 o
0 1 -6 1972.4009 1828.7275 691.7860 o
0 -5 -5 1856.8589 1743.4028 407.3612 o
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0 -4 -5 0.7834 0.9862 1.0655 o
-1 -3 -5 1027.8696 936.1451 19.9670 o
0 -3 -5 1881.8705 1644.3575 60.7551 o
1 -3 -5 556.1981 559.6102 12.2337 o
-1 -2 -5 55.8834 59.0499 1.2886 o
0 -2 -5 7.1081 6.4058 0.8843 o
1 -2 -5 389.0814 371.0639 14.1161 o
-1 -1 -5 277.2127 242.9225 16.1346 o
0 -1 -5 29.2709 28.6588 2.6761 o
1 -1 -5 1082.4620 1140.0497 24.8020 o
-1 0 -5 545.5549 518.7229 13.4859 o
0 0 -5 437.1375 436.5110 22.9772 o
1 0 -5 46.2033 44.4460 3.0918 o
-1 1 -5 90.9347 81.1571 4.5734 o
0 1 -5 143.1752 133.5010 11.4288 o
0 2 -5 3501.6304 3102.8357 833.1920 o
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0 -5 -4 768.1911 772.2702 27.1629 o
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0 -4 -4 2526.4834 2332.0146 1209.8442 o
1 -4 -4 1134.6970 1117.6766 31.1915 o
-1 -3 -4 590.2684 565.3470 14.5834 o
0 -3 -4 5.9559 3.8589 0.7235 o
1 -3 -4 135.8611 131.3915 3.0082 o
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0 -2 -4 1063.5308 1059.2271 121.8990 o
1 -2 -4 1521.5228 1589.8097 51.5515 o
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1 -1 -4 48.1195 47.5160 2.1394 o
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0 1 -4 494.2694 505.5168 14.3436 o
1 1 -4 2.7911 3.3615 0.5419 o
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1 2 -4 376.6119 386.3538 8.8887 o
0 3 -4 839.3636 851.3264 13.6336 o
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0 -5 -3 647.9686 638.5548 29.2053 o
-1 -4 -3 101.5378 93.8658 4.3284 o
0 -4 -3 204.5494 223.6108 5.9550 o
1 -4 -3 125.6600 116.6505 2.8979 o
-1 -3 -3 93.3471 87.7687 2.9357 o
0 -3 -3 60.5759 69.8977 3.1076 o
1 -3 -3 28.7996 24.7913 0.9565 o
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0 -2 -3 367.3051 363.8692 7.4445 o
1 -2 -3 683.0743 628.2215 31.7010 o
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0 -1 -3 536.5710 551.7551 13.4101 o
1 -1 -3 1598.1460 1598.6166 117.5688 o
-1 0 -3 24.2124 23.5565 1.0018 o
0 0 -3 121.9727 123.1763 4.3034 o
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0 1 -3 329.2587 277.6098 19.0109 o
1 1 -3 186.4493 186.8140 6.2965 o
-1 2 -3 2642.8696 2287.8860 1800.7095 o
0 2 -3 304.4599 298.7737 7.0464 o
1 2 -3 5.6126 8.2924 0.5621 o
-1 3 -3 729.3107 826.0805 22.8891 o
0 3 -3 698.0293 681.5687 11.2506 o
1 3 -3 4.4933 5.3596 0.5856 o
0 4 -3 1487.7826 1426.4236 29.3397 o
0 -6 -2 1039.6467 986.3624 44.9836 o
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0 -5 -2 951.9379 963.2947 40.4372 o
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0 -4 -2 186.1981 185.6563 8.9598 o
1 -4 -2 0.2488 0.7632 0.8878 o
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1 -3 -2 257.5719 267.4480 14.1359 o
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0 -2 -2 1303.0410 1224.1482 37.3950 o
1 -2 -2 15.9328 16.7477 0.4957 o
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0 -1 -2 416.2363 438.7834 33.2490 o
1 -1 -2 453.8589 475.7175 23.5905 o
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0 0 -2 2279.5242 1992.2766 1372.9482 o
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1 1 -2 2333.4844 2028.8074 1445.9244 o
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0 2 -2 579.1523 578.9904 18.1737 o
1 2 -2 135.7893 124.8914 10.7107 o
-1 3 -2 3438.1296 3422.4561 1508.3234 o
0 3 -2 82.9503 80.7283 2.5705 o
1 3 -2 92.1719 94.7233 6.4426 o
-1 4 -2 201.4442 204.9251 7.7745 o
0 4 -2 167.7570 165.3670 5.4510 o
1 4 -2 105.1756 110.5706 2.0450 o
0 5 -2 2863.6423 2558.7300 2026.9968 o
0 -6 -1 1043.4541 1019.8749 49.8376 o
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0 -5 -1 368.3978 362.5315 13.7739 o
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0 -4 -1 861.5908 866.3075 47.1379 o
1 -4 -1 1865.5049 1843.2712 1318.6327 o
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0 -3 -1 166.4648 160.6763 3.7426 o
1 -3 -1 9.1630 11.0279 1.1066 o
-1 -2 -1 28.7519 28.9761 2.7969 o
0 -2 -1 566.8703 571.5042 22.0351 o
-1 -1 -1 7011.8149 6295.4380 3114.9397 o
1 -1 -1 10.4143 10.0846 0.8207 o
-1 0 -1 419.2112 414.3694 9.5669 o
1 0 -1 298.2175 295.4551 19.4786 o
-1 1 -1 15.2628 15.0240 0.7653 o
1 1 -1 4966.1309 4463.1948 4718.1753 o
-1 2 -1 104.0732 102.1839 4.7425 o
0 2 -1 856.7680 797.6876 20.2222 o
1 2 -1 2126.2107 2077.3269 1768.9187 o
-1 3 -1 132.8603 144.5375 4.5295 o
0 3 -1 134.6486 137.0684 2.6977 o
1 3 -1 225.3421 215.7644 9.7516 o
-1 4 -1 1112.1216 1108.6639 31.8378 o
0 4 -1 8.2012 7.4949 0.6060 o
1 4 -1 295.9113 293.6971 8.3645 o
0 5 -1 225.1981 260.2533 14.6540 o
-1 -5 0 426.4124 418.4599 12.4379 o
0 -5 0 411.0130 399.2768 12.9466 o
-1 -4 0 120.0390 107.7407 3.4049 o
0 -4 0 502.1908 525.5832 11.5585 o
1 -4 0 1850.5533 1594.1918 177.7036 o
-1 -3 0 767.2030 740.8930 27.1818 o
0 -3 0 139.5404 130.5768 3.7054 o
1 -3 0 3100.0415 3031.1802 1216.3448 o
0 -2 0 449.3823 455.3853 10.5124 o
1 -2 0 55.5194 59.9074 1.6795 o
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1 -1 0 116.9166 125.7060 3.5523 o
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0 -5 -8 175.5260 191.2474 5.9275 o
-1 -4 -8 1108.4932 1032.0261 44.8003 o
0 -4 -8 809.6058 732.4463 14.6474 o
-1 -3 -8 1078.9500 1072.7933 20.0920 o
0 -3 -8 36.6436 36.7968 1.7437 o
-1 -2 -8 354.8463 361.2966 16.9422 o
0 -2 -8 573.8029 527.3411 13.1175 o
-1 -1 -8 30.4873 31.2314 2.7108 o
0 -1 -8 0.3131 1.7322 0.4566 o
0 0 -8 9.5285 10.1446 0.6555 o
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0 -6 -7 22.1094 21.7042 1.1114 o
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0 -5 -7 494.5656 477.6641 18.0611 o
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0 -4 -7 1621.6017 1597.3046 50.9748 o
1 -4 -7 102.0608 110.8364 5.2586 o
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0 -3 -7 1473.7379 1578.6447 104.0535 o
1 -3 -7 1008.1576 1001.6865 58.0413 o
-1 -2 -7 1378.1903 1314.1637 38.1602 o
1 -2 -7 383.5099 394.8348 7.1975 o
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1 -1 -7 828.5099 838.2490 24.0198 o
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1 0 -7 276.4037 283.5696 5.1450 o
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0 -6 -6 41.6095 39.8582 2.1396 o
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1 -5 -6 634.9780 671.8185 32.8060 o
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1 -4 -6 369.9358 379.3391 13.0144 o
1 -3 -6 537.8810 552.4669 19.5036 o
1 -2 -6 4258.5703 3933.2556 993.5304 o
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