#------------------------------------------------------------------------------
#$Date: 2022-09-02 04:49:51 +0300 (Fri, 02 Sep 2022) $
#$Revision: 277573 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/90/2109040.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_2109040
_cell_angle_alpha                90.000
_cell_angle_beta                 101.006
_cell_angle_gamma                90.000
_cell_length_a                   9.1703
_cell_length_b                   8.4987
_cell_length_c                   6.6953
_exptl_crystal_F_000             328.00
_reflns_d_resolution_high        0.7563
_cod_data_source_file            xk50965.00sup15.hkl
_cod_data_source_block           5.00
_shelx_title                     ' GPI_5 in P2(1)/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            106.45
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x-1/2, -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_observed_status
2 0 0 2068.64 2108.29 27.30 o
4 0 0 1278.36 1228.87 28.71 o
6 0 0 1799.45 1913.25 54.32 o
8 0 0 401.34 378.03 31.14 o
10 0 0 91.93 225.17 56.55 o
1 1 0 129.21 121.75 2.89 o
2 1 0 295.71 296.40 7.78 o
3 1 0 6764.77 6353.56 84.11 o
4 1 0 33.45 22.67 4.42 o
5 1 0 295.77 268.57 17.09 o
6 1 0 184.69 194.22 16.17 o
7 1 0 0.05 21.28 8.46 o
8 1 0 203.31 252.91 20.45 o
9 1 0 0.00 -3.42 12.82 o
10 1 0 536.50 605.22 47.98 o
11 1 0 46.57 47.15 42.17 o
0 2 0 1379.98 1421.42 25.35 o
1 2 0 46.56 56.35 3.26 o
2 2 0 819.63 760.56 11.33 o
3 2 0 779.59 694.91 12.08 o
5 2 0 809.15 755.39 24.69 o
6 2 0 202.52 166.23 25.33 o
7 2 0 798.14 846.26 30.55 o
8 2 0 74.15 66.04 14.69 o
9 2 0 345.68 354.79 28.93 o
10 2 0 19.36 42.50 16.42 o
11 2 0 90.34 104.15 42.92 o
1 3 0 306.67 247.31 7.71 o
2 3 0 302.61 310.67 9.62 o
3 3 0 1833.68 1909.14 31.15 o
4 3 0 746.69 698.99 16.00 o
5 3 0 142.09 126.55 6.41 o
6 3 0 99.51 93.55 8.79 o
7 3 0 34.65 61.57 12.37 o
8 3 0 188.87 188.10 20.20 o
9 3 0 6.53 -7.98 13.58 o
10 3 0 41.53 38.49 20.92 o
11 3 0 2.82 31.08 48.50 o
0 4 0 942.52 966.74 19.25 o
1 4 0 5.96 5.73 4.78 o
2 4 0 717.77 814.75 17.12 o
3 4 0 946.23 941.36 17.23 o
4 4 0 175.22 166.67 7.36 o
5 4 0 1980.52 2039.01 30.89 o
6 4 0 1.22 -9.79 9.98 o
7 4 0 971.14 1064.05 39.69 o
8 4 0 4.90 29.44 13.37 o
9 4 0 192.24 227.49 28.75 o
10 4 0 18.18 29.90 16.82 o
11 4 0 105.97 72.57 66.63 o
1 5 0 101.43 113.50 6.94 o
2 5 0 344.98 359.79 13.81 o
3 5 0 855.96 834.54 19.38 o
4 5 0 7.13 6.26 4.63 o
5 5 0 187.91 221.24 16.56 o
6 5 0 39.99 28.04 9.26 o
7 5 0 63.94 62.40 13.99 o
8 5 0 59.22 52.65 11.81 o
9 5 0 1.83 11.46 26.02 o
10 5 0 1.17 46.94 24.08 o
0 6 0 442.51 477.31 23.47 o
1 6 0 41.72 32.84 5.19 o
2 6 0 324.38 343.41 14.20 o
3 6 0 0.89 -1.13 6.02 o
4 6 0 204.71 208.55 13.88 o
5 6 0 2.11 -1.34 9.15 o
6 6 0 28.84 6.82 10.65 o
7 6 0 45.74 50.76 13.72 o
8 6 0 105.41 114.50 20.71 o
9 6 0 16.22 29.10 17.76 o
1 7 0 234.62 203.98 14.21 o
2 7 0 503.40 535.63 22.21 o
3 7 0 956.71 912.31 35.15 o
4 7 0 16.79 10.05 7.72 o
5 7 0 20.05 25.13 14.22 o
6 7 0 227.80 205.99 34.17 o
7 7 0 9.83 20.13 12.93 o
8 7 0 114.36 87.69 20.42 o
9 7 0 2.06 0.71 22.27 o
0 8 0 1629.78 1664.52 66.30 o
1 8 0 195.37 187.23 14.55 o
2 8 0 6.89 -7.34 9.91 o
3 8 0 120.54 116.06 14.27 o
4 8 0 46.19 47.85 13.45 o
5 8 0 134.91 109.81 19.55 o
6 8 0 148.75 157.52 22.11 o
7 8 0 26.38 17.56 15.66 o
8 8 0 29.84 48.96 36.26 o
1 9 0 3.83 -4.49 11.51 o
2 9 0 16.86 29.06 13.99 o
3 9 0 114.45 122.08 16.33 o
4 9 0 136.16 130.60 24.98 o
5 9 0 30.02 42.89 16.28 o
6 9 0 54.10 19.54 17.93 o
7 9 0 17.43 66.98 61.44 o
0 10 0 25.77 47.36 21.72 o
1 10 0 78.62 64.58 17.88 o
2 10 0 81.02 95.93 19.15 o
3 10 0 0.34 -0.23 19.36 o
4 10 0 3.11 8.62 27.71 o
5 10 0 1.67 -0.40 33.69 o
1 11 0 96.16 104.10 33.01 o
-10 0 1 11.24 18.60 20.99 o
-8 0 1 487.97 507.56 30.56 o
-6 0 1 0.41 -5.48 5.48 o
-4 0 1 664.15 705.90 16.77 o
-2 0 1 215.57 241.08 12.95 o
6 0 1 41.90 76.98 22.53 o
-12 1 1 23.71 30.80 30.87 o
-11 1 1 125.99 168.99 41.12 o
-10 1 1 41.62 38.48 17.68 o
-9 1 1 111.22 105.69 15.69 o
-8 1 1 117.79 112.63 11.62 o
-7 1 1 10.12 10.74 4.87 o
-6 1 1 381.53 401.06 12.89 o
-5 1 1 111.85 112.14 7.05 o
-4 1 1 4222.87 4282.68 47.88 o
-3 1 1 36.48 34.42 2.97 o
-2 1 1 11331.28 10541.41 106.16 o
4 1 1 269.48 226.78 48.00 o
5 1 1 88.32 94.35 15.18 o
6 1 1 450.71 486.25 40.18 o
7 1 1 331.18 270.45 35.73 o
-11 2 1 0.03 -1.15 19.56 o
-10 2 1 66.49 81.66 17.66 o
-9 2 1 57.97 43.95 11.27 o
-8 2 1 345.10 330.14 20.50 o
-7 2 1 63.11 64.54 7.59 o
-6 2 1 726.84 811.90 20.97 o
-5 2 1 1852.18 1919.62 28.02 o
-3 2 1 7.27 3.49 1.71 o
-2 2 1 10.47 7.71 2.05 o
-1 2 1 2499.61 2656.04 49.60 o
0 2 1 4.98 -2.01 2.87 o
4 2 1 616.86 598.98 36.62 o
5 2 1 94.25 112.57 16.27 o
6 2 1 295.90 312.66 41.72 o
7 2 1 44.08 75.94 19.62 o
8 2 1 115.82 55.38 47.45 o
-11 3 1 340.68 381.95 40.94 o
-10 3 1 65.98 70.74 18.19 o
-9 3 1 668.81 699.90 35.94 o
-8 3 1 31.68 32.09 11.37 o
-7 3 1 396.34 390.04 22.72 o
-6 3 1 8.94 24.60 10.64 o
-5 3 1 480.03 466.54 15.68 o
-4 3 1 106.20 116.29 7.38 o
-3 3 1 787.27 877.64 22.04 o
-2 3 1 2485.33 2668.09 41.10 o
-1 3 1 147.71 159.63 11.94 o
0 3 1 19.28 14.29 3.78 o
1 3 1 3913.31 3807.41 64.82 o
2 3 1 466.19 503.98 30.83 o
3 3 1 839.24 751.31 95.45 o
4 3 1 16.37 14.12 7.08 o
5 3 1 1372.03 1672.38 93.85 o
6 3 1 519.89 590.23 42.05 o
7 3 1 695.29 552.62 32.23 o
8 3 1 51.26 31.30 25.39 o
-11 4 1 25.78 76.49 51.10 o
-10 4 1 10.56 19.23 14.78 o
-9 4 1 83.63 72.04 19.55 o
-8 4 1 98.96 89.60 13.78 o
-7 4 1 535.18 527.33 24.15 o
-6 4 1 135.55 128.74 11.49 o
-5 4 1 12.57 14.62 5.94 o
-4 4 1 349.63 293.11 24.71 o
-3 4 1 15.10 9.78 3.11 o
-2 4 1 869.32 963.26 20.69 o
-1 4 1 2406.99 2522.65 56.22 o
1 4 1 117.53 101.33 7.74 o
2 4 1 0.01 3.45 5.18 o
3 4 1 358.41 351.90 15.01 o
4 4 1 1.03 -5.76 5.76 o
5 4 1 825.65 669.30 68.35 o
6 4 1 132.12 188.53 19.13 o
7 4 1 8.26 14.47 14.56 o
8 4 1 7.22 22.38 24.06 o
-10 5 1 21.88 -7.78 19.45 o
-9 5 1 274.06 299.12 35.86 o
-8 5 1 11.58 14.19 11.68 o
-7 5 1 287.19 292.37 22.00 o
-6 5 1 166.91 179.28 15.75 o
-5 5 1 497.19 497.75 27.03 o
-4 5 1 630.22 612.44 18.95 o
-3 5 1 301.81 277.20 12.57 o
-2 5 1 19.01 17.79 3.33 o
-1 5 1 111.00 127.76 8.30 o
0 5 1 628.17 705.30 15.73 o
1 5 1 518.36 563.44 19.92 o
2 5 1 416.49 385.36 17.35 o
3 5 1 286.60 286.13 12.49 o
4 5 1 26.15 18.32 6.10 o
5 5 1 171.83 158.85 15.37 o
6 5 1 113.07 90.90 24.63 o
7 5 1 257.61 253.33 40.92 o
8 5 1 39.67 43.61 32.49 o
-10 6 1 37.22 87.00 53.40 o
-9 6 1 9.02 -4.25 17.65 o
-8 6 1 99.81 65.54 13.96 o
-7 6 1 0.09 -9.38 10.93 o
-6 6 1 59.45 68.27 12.77 o
-5 6 1 368.08 336.43 21.31 o
-4 6 1 169.01 158.41 11.71 o
-3 6 1 137.48 137.05 10.61 o
-2 6 1 412.83 394.04 15.30 o
-1 6 1 1404.67 1352.61 33.40 o
0 6 1 42.86 54.05 7.09 o
1 6 1 1766.76 1942.35 42.62 o
2 6 1 18.63 20.75 6.64 o
3 6 1 10.72 7.22 7.62 o
4 6 1 757.47 824.37 30.59 o
5 6 1 590.83 623.65 48.01 o
6 6 1 4.52 -2.61 17.46 o
7 6 1 21.44 42.47 25.11 o
-9 7 1 23.06 -24.72 25.07 o
-8 7 1 2.32 1.56 14.01 o
-7 7 1 71.81 86.06 16.15 o
-6 7 1 99.36 77.87 18.36 o
-5 7 1 54.62 62.32 13.92 o
-4 7 1 165.29 185.33 15.34 o
-3 7 1 38.81 32.81 7.75 o
-2 7 1 508.57 570.81 24.54 o
-1 7 1 14.06 15.89 7.21 o
0 7 1 47.11 47.86 9.00 o
1 7 1 537.68 508.76 24.14 o
2 7 1 1070.74 1000.20 32.73 o
3 7 1 50.40 46.21 10.47 o
4 7 1 124.33 146.08 15.89 o
5 7 1 5.71 -0.71 14.54 o
6 7 1 0.58 20.20 16.13 o
7 7 1 4.98 -6.44 24.53 o
-8 8 1 273.60 208.51 41.52 o
-7 8 1 6.27 21.20 17.60 o
-6 8 1 197.82 188.60 24.63 o
-5 8 1 41.85 11.69 16.15 o
-4 8 1 145.52 139.84 20.96 o
-3 8 1 41.99 27.80 12.83 o
-2 8 1 54.89 50.11 11.51 o
-1 8 1 184.05 228.52 19.58 o
0 8 1 79.94 78.32 13.01 o
1 8 1 164.56 162.35 15.66 o
2 8 1 26.29 30.22 9.76 o
3 8 1 35.51 53.33 12.80 o
4 8 1 251.93 254.42 26.76 o
5 8 1 0.35 5.69 14.33 o
6 8 1 100.92 86.02 49.95 o
7 8 1 9.77 25.96 65.60 o
-7 9 1 2.85 -28.57 52.11 o
-6 9 1 2.18 10.02 18.13 o
-5 9 1 0.13 -1.54 15.03 o
-4 9 1 172.08 147.63 27.26 o
-3 9 1 1.44 -0.33 12.60 o
-2 9 1 297.03 309.46 24.26 o
-1 9 1 162.61 162.31 19.72 o
0 9 1 47.76 50.67 14.31 o
1 9 1 124.29 110.81 16.86 o
2 9 1 311.09 347.81 25.17 o
3 9 1 26.44 38.08 13.94 o
4 9 1 112.41 118.44 25.43 o
5 9 1 6.82 13.03 18.35 o
6 9 1 4.09 49.70 34.89 o
-5 10 1 74.17 44.05 45.87 o
-4 10 1 58.07 78.51 36.03 o
-3 10 1 28.47 25.89 20.55 o
-2 10 1 65.90 71.56 16.58 o
-1 10 1 210.97 283.83 31.36 o
0 10 1 22.18 18.99 16.31 o
1 10 1 204.88 230.44 28.65 o
2 10 1 146.25 113.16 31.26 o
3 10 1 0.01 -3.68 17.97 o
4 10 1 59.93 54.28 25.66 o
5 10 1 49.39 -36.62 36.62 o
-1 11 1 23.39 2.19 26.24 o
0 11 1 77.62 190.39 49.23 o
1 11 1 20.21 46.11 28.08 o
-10 0 2 75.52 93.36 36.40 o
-8 0 2 91.49 107.57 19.36 o
-6 0 2 325.15 244.70 57.35 o
-4 0 2 4301.38 5110.39 139.93 o
-12 1 2 29.82 25.47 33.36 o
-11 1 2 1.09 -18.00 18.00 o
-10 1 2 405.59 405.94 29.80 o
-9 1 2 18.50 13.71 10.15 o
-8 1 2 61.92 59.75 10.08 o
-7 1 2 486.48 508.15 19.65 o
-6 1 2 5.17 5.70 4.65 o
-5 1 2 1.36 2.19 3.92 o
-4 1 2 140.00 132.39 13.47 o
-11 2 2 7.93 21.68 19.53 o
-10 2 2 2.23 8.12 13.15 o
-9 2 2 38.38 28.23 14.10 o
-8 2 2 33.94 14.36 12.26 o
-7 2 2 557.82 519.35 21.86 o
-6 2 2 169.51 175.23 12.17 o
-5 2 2 25.29 26.56 5.80 o
-4 2 2 121.17 108.45 12.71 o
-11 3 2 15.17 27.39 17.32 o
-10 3 2 175.92 184.72 23.29 o
-9 3 2 4.70 19.52 13.43 o
-8 3 2 264.79 283.00 20.57 o
-7 3 2 104.71 114.60 20.11 o
-6 3 2 636.20 597.02 23.76 o
-5 3 2 134.71 153.33 11.05 o
-4 3 2 103.33 75.52 11.81 o
-3 3 2 39.77 28.35 15.61 o
-11 4 2 41.46 15.30 25.97 o
-10 4 2 13.22 4.60 16.24 o
-9 4 2 778.04 739.23 41.37 o
-8 4 2 0.00 1.04 9.53 o
-7 4 2 679.03 686.71 35.29 o
-6 4 2 0.93 7.08 7.02 o
-5 4 2 224.51 178.70 12.06 o
-4 4 2 64.23 56.97 7.59 o
-3 4 2 0.61 -0.74 6.14 o
-2 4 2 1.03 2.13 7.30 o
-10 5 2 2.18 -2.61 19.55 o
-9 5 2 0.04 13.86 16.35 o
-8 5 2 11.50 33.78 12.35 o
-7 5 2 15.86 11.27 10.61 o
-6 5 2 19.48 6.89 8.37 o
-5 5 2 510.24 503.66 25.90 o
-4 5 2 391.11 411.97 20.97 o
-3 5 2 727.43 724.91 31.28 o
-2 5 2 4.69 3.37 7.64 o
-1 5 2 128.06 123.71 19.06 o
-10 6 2 0.73 -1.50 36.86 o
-9 6 2 76.71 75.56 27.78 o
-8 6 2 51.85 19.46 14.19 o
-7 6 2 495.10 512.15 40.42 o
-6 6 2 0.06 3.23 10.15 o
-5 6 2 1.46 0.61 9.70 o
-3 6 2 188.47 230.47 21.34 o
-2 6 2 597.12 597.98 48.33 o
-1 6 2 147.22 133.16 23.20 o
-9 7 2 0.01 -23.80 27.04 o
-8 7 2 10.66 11.95 14.96 o
-7 7 2 150.18 110.51 21.81 o
-6 7 2 232.58 262.38 32.03 o
-5 7 2 232.84 222.80 22.68 o
-4 7 2 119.80 104.23 14.30 o
-3 7 2 882.18 1035.55 43.92 o
-2 7 2 0.13 -9.05 12.48 o
-1 7 2 1189.63 1247.45 58.55 o
-8 8 2 21.53 -3.88 27.17 o
-7 8 2 2.07 -7.62 17.02 o
-6 8 2 29.43 22.66 22.13 o
-5 8 2 3.86 11.15 14.95 o
-4 8 2 721.88 868.50 48.18 o
-3 8 2 4.12 32.05 13.63 o
-2 8 2 356.19 389.61 34.68 o
-1 8 2 136.34 82.16 30.81 o
0 8 2 552.82 268.90 79.95 o
1 8 2 8.87 9.27 14.80 o
-7 9 2 105.57 169.40 72.09 o
-6 9 2 163.06 172.11 37.98 o
-5 9 2 1.28 15.39 16.95 o
-4 9 2 411.30 489.89 84.57 o
-3 9 2 1.75 3.29 17.77 o
-2 9 2 104.02 121.14 22.67 o
-1 9 2 61.54 64.79 18.04 o
0 9 2 56.71 16.61 36.12 o
1 9 2 9.31 -14.91 14.91 o
-3 10 2 3.54 -13.66 24.83 o
-2 10 2 208.86 240.88 36.57 o
-1 10 2 23.65 28.95 20.25 o
0 10 2 92.87 36.79 26.23 o
-10 0 3 13.56 41.91 30.05 o
-11 1 3 3.23 23.37 19.94 o
-10 1 3 64.52 33.45 23.67 o
-9 1 3 82.14 114.58 25.95 o
-8 1 3 76.84 113.14 28.44 o
-7 1 3 0.11 -21.12 22.76 o
-11 2 3 0.00 36.28 22.20 o
-10 2 3 89.51 140.90 34.57 o
-9 2 3 167.65 170.21 29.39 o
-8 2 3 565.65 675.98 83.36 o
-7 2 3 101.65 117.43 22.70 o
-6 2 3 38.29 -127.25 127.25 o
-10 3 3 19.38 8.51 23.29 o
-9 3 3 62.27 92.58 24.62 o
-8 3 3 30.29 34.93 19.96 o
-7 3 3 357.19 332.92 29.54 o
-10 4 3 43.72 107.18 29.97 o
-9 4 3 2.29 4.68 18.41 o
-8 4 3 106.05 104.40 21.38 o
-7 4 3 6.69 3.43 16.26 o
-6 4 3 41.62 20.54 24.11 o
-10 5 3 66.24 39.05 29.18 o
-9 5 3 59.63 88.06 22.65 o
-8 5 3 0.86 14.10 20.04 o
-7 5 3 73.75 81.05 21.38 o
-9 6 3 79.52 53.43 28.32 o
-8 6 3 220.40 166.65 51.06 o
-7 6 3 213.70 190.53 43.17 o
-6 6 3 99.83 22.83 57.19 o
-8 7 3 17.43 15.37 39.51 o
-7 7 3 19.22 15.42 44.01 o
-5 7 3 23.48 16.70 22.87 o
-7 8 3 84.28 14.92 63.51 o