#------------------------------------------------------------------------------
#$Date: 2022-09-02 04:49:51 +0300 (Fri, 02 Sep 2022) $
#$Revision: 277573 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/90/2109039.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_2109039
_cell_angle_alpha                90.000
_cell_angle_beta                 100.941
_cell_angle_gamma                90.000
_cell_length_a                   9.2008
_cell_length_b                   8.5014
_cell_length_c                   6.7445
_exptl_crystal_F_000             328.00
_reflns_d_resolution_high        0.7571
_cod_data_source_file            xk50964.54sup14.hkl
_cod_data_source_block           4.54
_shelx_title                     ' GPI_4 in P2(1)/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            105.70
_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 2177.19 2126.26 28.76 o
4 0 0 1328.34 1299.69 31.24 o
6 0 0 2109.55 2045.10 59.56 o
8 0 0 318.41 254.96 27.66 o
10 0 0 53.03 41.48 73.08 o
1 1 0 127.65 125.00 3.15 o
2 1 0 289.98 291.41 8.26 o
3 1 0 6897.98 6241.46 77.27 o
4 1 0 20.78 15.74 3.04 o
5 1 0 262.30 247.92 16.98 o
6 1 0 120.41 141.06 13.99 o
7 1 0 0.13 9.33 7.27 o
8 1 0 216.62 192.41 19.67 o
9 1 0 2.70 3.89 11.52 o
10 1 0 557.63 621.87 52.25 o
11 1 0 43.62 47.26 31.79 o
0 2 0 1375.92 1411.35 18.57 o
1 2 0 44.10 57.16 3.48 o
2 2 0 829.48 751.47 12.21 o
3 2 0 634.54 598.26 12.00 o
5 2 0 783.38 694.11 25.01 o
6 2 0 242.33 227.59 18.38 o
7 2 0 774.88 786.06 32.74 o
8 2 0 94.54 73.22 15.13 o
9 2 0 338.34 358.64 32.28 o
10 2 0 8.83 -15.80 15.80 o
11 2 0 106.04 105.31 34.35 o
1 3 0 311.62 245.46 8.30 o
2 3 0 335.48 343.44 10.85 o
3 3 0 1889.04 1907.76 26.03 o
4 3 0 733.52 690.81 16.97 o
5 3 0 153.72 141.09 6.91 o
6 3 0 93.35 92.73 9.45 o
7 3 0 57.91 67.31 11.65 o
8 3 0 209.35 209.96 19.95 o
9 3 0 15.34 3.38 15.69 o
10 3 0 50.83 62.51 21.70 o
11 3 0 5.00 -19.15 26.09 o
0 4 0 932.19 915.94 20.38 o
1 4 0 4.95 5.44 4.09 o
2 4 0 701.60 803.76 17.72 o
3 4 0 844.12 847.18 16.93 o
4 4 0 204.24 185.80 9.59 o
5 4 0 1931.19 1965.54 29.22 o
6 4 0 2.68 -0.66 5.41 o
7 4 0 962.54 997.00 40.33 o
8 4 0 7.04 3.95 14.72 o
9 4 0 205.14 194.15 27.57 o
10 4 0 13.22 21.80 17.72 o
11 4 0 131.34 180.65 82.41 o
1 5 0 101.85 110.77 7.24 o
2 5 0 293.91 311.65 13.81 o
3 5 0 852.20 861.09 21.06 o
4 5 0 11.92 20.77 3.90 o
5 5 0 220.33 229.59 16.56 o
6 5 0 33.07 21.73 7.70 o
7 5 0 55.39 25.77 9.57 o
8 5 0 56.65 76.30 16.71 o
9 5 0 4.46 -18.46 18.46 o
10 5 0 0.28 7.15 58.69 o
0 6 0 424.52 469.81 25.28 o
1 6 0 55.65 44.33 5.02 o
2 6 0 365.13 377.20 15.88 o
3 6 0 2.42 2.30 5.18 o
4 6 0 206.34 210.96 15.07 o
5 6 0 3.10 -7.79 8.63 o
6 6 0 41.03 29.50 10.23 o
7 6 0 42.56 38.41 12.64 o
8 6 0 115.37 121.79 20.48 o
9 6 0 21.89 65.34 20.91 o
10 6 0 6.24 66.93 76.28 o
1 7 0 196.96 192.67 14.81 o
2 7 0 481.30 549.33 23.95 o
3 7 0 939.75 930.01 31.83 o
4 7 0 14.27 10.77 7.02 o
5 7 0 17.92 20.24 10.99 o
6 7 0 242.99 207.76 22.49 o
7 7 0 6.80 14.64 10.76 o
8 7 0 102.76 98.98 16.78 o
9 7 0 4.10 -25.28 32.72 o
0 8 0 1595.91 1586.52 69.81 o
1 8 0 157.94 161.25 14.96 o
2 8 0 5.46 1.69 8.32 o
3 8 0 125.85 97.60 12.38 o
4 8 0 38.75 11.17 11.16 o
5 8 0 114.17 91.19 15.07 o
6 8 0 178.74 179.01 23.70 o
7 8 0 24.75 48.93 15.45 o
8 8 0 24.55 4.22 21.92 o
1 9 0 2.32 6.55 10.76 o
2 9 0 17.08 -4.53 11.59 o
3 9 0 121.91 133.90 18.89 o
4 9 0 132.02 139.91 25.66 o
5 9 0 34.70 34.77 15.99 o
6 9 0 46.18 51.61 18.30 o
7 9 0 6.17 3.54 31.33 o
0 10 0 19.73 32.06 18.25 o
1 10 0 56.57 47.89 13.88 o
2 10 0 65.85 94.66 16.97 o
3 10 0 0.06 -3.99 16.84 o
4 10 0 2.88 -6.64 44.89 o
5 10 0 1.31 -34.69 38.04 o
1 11 0 81.24 58.17 26.73 o
-12 0 1 303.70 304.49 94.01 o
-10 0 1 10.70 -10.02 20.07 o
-8 0 1 442.99 397.08 28.80 o
-6 0 1 7.51 0.59 8.44 o
-4 0 1 719.22 809.50 19.33 o
-2 0 1 237.75 278.00 14.93 o
4 0 1 626.82 477.77 70.58 o
6 0 1 64.72 77.34 26.69 o
-12 1 1 12.72 13.71 38.47 o
-11 1 1 124.45 130.70 25.58 o
-10 1 1 38.03 26.78 12.30 o
-9 1 1 78.64 74.58 12.66 o
-8 1 1 146.73 118.07 13.09 o
-7 1 1 9.80 3.98 4.04 o
-6 1 1 386.45 432.34 14.27 o
-5 1 1 89.36 86.83 6.43 o
-4 1 1 4141.53 4281.95 49.79 o
-3 1 1 38.99 39.22 3.27 o
-2 1 1 11173.05 10801.74 114.54 o
4 1 1 490.98 289.87 47.67 o
5 1 1 128.13 124.34 17.57 o
6 1 1 376.44 421.87 35.42 o
7 1 1 340.65 267.78 33.47 o
8 1 1 33.77 74.01 31.81 o
-11 2 1 0.18 9.82 18.08 o
-10 2 1 56.58 44.47 12.80 o
-9 2 1 61.83 52.68 11.60 o
-8 2 1 313.82 305.26 20.98 o
-7 2 1 61.33 53.18 7.62 o
-6 2 1 762.15 778.37 21.18 o
-5 2 1 1793.76 1973.37 30.84 o
-4 2 1 36.59 37.96 6.77 o
-3 2 1 4.45 0.58 1.57 o
-2 2 1 11.25 13.37 2.24 o
-1 2 1 2521.72 2593.70 53.43 o
0 2 1 6.30 0.04 2.92 o
4 2 1 672.24 724.97 46.47 o
5 2 1 174.10 168.53 22.02 o
6 2 1 362.93 407.08 31.42 o
7 2 1 8.74 42.86 17.31 o
8 2 1 97.82 21.38 54.67 o
-11 3 1 340.03 324.07 45.15 o
-10 3 1 67.14 58.69 16.15 o
-9 3 1 640.49 651.65 36.13 o
-8 3 1 17.37 29.89 8.11 o
-7 3 1 336.72 341.07 20.57 o
-6 3 1 3.77 -0.72 6.50 o
-5 3 1 413.74 436.98 16.22 o
-4 3 1 122.34 119.80 7.35 o
-3 3 1 735.77 821.49 24.80 o
-2 3 1 2491.74 2616.83 36.29 o
-1 3 1 143.30 147.54 13.20 o
0 3 1 21.02 15.71 4.64 o
1 3 1 3658.32 3752.34 71.07 o
2 3 1 438.42 481.13 41.66 o
3 3 1 948.44 923.09 97.84 o
4 3 1 8.57 9.08 10.37 o
5 3 1 1300.06 1854.45 106.90 o
6 3 1 549.09 803.12 43.77 o
7 3 1 814.08 915.47 51.20 o
8 3 1 48.66 12.25 20.31 o
-11 4 1 13.69 -17.40 21.94 o
-10 4 1 9.48 13.27 14.70 o
-9 4 1 90.43 80.42 17.80 o
-8 4 1 105.92 109.84 14.42 o
-7 4 1 511.65 554.95 26.53 o
-6 4 1 144.36 139.44 11.52 o
-5 4 1 8.70 8.73 5.30 o
-4 4 1 355.00 286.58 31.26 o
-3 4 1 15.47 14.31 2.65 o
-2 4 1 793.97 893.16 19.29 o
-1 4 1 2405.57 2534.87 63.46 o
1 4 1 107.02 95.68 8.12 o
2 4 1 0.51 1.29 4.58 o
3 4 1 397.41 403.58 17.68 o
4 4 1 0.04 -1.72 4.64 o
5 4 1 885.82 1020.56 30.96 o
6 4 1 103.68 180.03 21.69 o
7 4 1 16.16 41.15 23.34 o
8 4 1 6.05 20.18 31.13 o
-10 5 1 15.55 -9.84 15.95 o
-9 5 1 273.44 252.06 31.48 o
-8 5 1 8.85 23.92 10.37 o
-7 5 1 259.47 251.87 20.79 o
-6 5 1 147.31 163.15 15.44 o
-5 5 1 460.03 446.23 22.83 o
-4 5 1 563.75 634.56 21.67 o
-3 5 1 313.78 285.95 13.36 o
-2 5 1 19.42 13.22 2.93 o
-1 5 1 115.71 115.31 8.42 o
0 5 1 679.59 706.97 16.71 o
1 5 1 518.53 516.73 20.21 o
2 5 1 438.92 407.01 15.76 o
3 5 1 242.49 256.30 12.56 o
4 5 1 13.84 5.64 5.37 o
5 5 1 132.98 139.83 15.24 o
6 5 1 133.35 146.93 22.76 o
7 5 1 329.98 444.68 76.15 o
8 5 1 28.06 14.59 27.29 o
-10 6 1 33.65 16.20 29.66 o
-9 6 1 6.14 3.74 18.72 o
-8 6 1 103.87 76.82 18.69 o
-7 6 1 2.68 0.13 8.90 o
-6 6 1 51.66 51.21 11.19 o
-5 6 1 356.30 386.31 24.11 o
-4 6 1 156.45 160.39 11.27 o
-3 6 1 131.39 133.67 10.97 o
-2 6 1 363.21 367.14 15.83 o
-1 6 1 1415.81 1348.85 42.39 o
0 6 1 47.61 50.93 7.15 o
1 6 1 1752.25 1853.18 39.48 o
2 6 1 19.43 16.51 5.46 o
3 6 1 9.73 5.70 6.54 o
4 6 1 774.55 779.62 31.76 o
5 6 1 571.37 714.04 48.96 o
6 6 1 6.01 -1.77 12.97 o
7 6 1 39.85 167.15 63.61 o
-9 7 1 27.00 13.08 17.96 o
-8 7 1 0.05 28.25 13.15 o
-7 7 1 65.88 50.31 12.18 o
-6 7 1 82.91 94.07 15.84 o
-5 7 1 44.84 44.39 12.85 o
-4 7 1 184.55 167.79 14.57 o
-3 7 1 45.93 48.47 7.93 o
-2 7 1 505.80 566.43 25.41 o
-1 7 1 18.66 13.77 6.37 o
0 7 1 49.81 42.20 7.47 o
1 7 1 487.01 484.25 25.46 o
2 7 1 1043.72 1014.19 33.30 o
3 7 1 57.42 51.65 10.12 o
4 7 1 160.13 175.97 16.93 o
5 7 1 8.02 6.24 11.53 o
6 7 1 0.09 -11.37 15.20 o
7 7 1 10.01 33.86 37.26 o
-8 8 1 288.76 277.07 38.42 o
-7 8 1 7.20 3.44 14.40 o
-6 8 1 177.00 160.17 21.76 o
-5 8 1 35.73 13.40 14.77 o
-4 8 1 150.75 140.02 26.70 o
-3 8 1 43.49 44.17 10.88 o
-2 8 1 59.54 68.31 11.75 o
-1 8 1 167.33 217.84 20.10 o
0 8 1 78.22 90.82 13.46 o
1 8 1 148.94 156.58 15.93 o
2 8 1 24.82 24.34 9.65 o
3 8 1 30.63 36.62 9.60 o
4 8 1 242.43 264.04 28.44 o
5 8 1 1.34 18.92 16.29 o
6 8 1 105.02 96.80 32.71 o
7 8 1 11.77 72.33 47.81 o
-7 9 1 4.63 15.61 53.40 o
-6 9 1 4.95 22.62 14.67 o
-5 9 1 1.97 6.26 12.49 o
-4 9 1 164.53 174.38 28.67 o
-3 9 1 4.05 -9.57 9.57 o
-2 9 1 280.43 298.88 24.68 o
-1 9 1 151.17 179.15 21.68 o
0 9 1 40.60 44.73 16.50 o
1 9 1 97.24 88.74 13.26 o
2 9 1 313.51 385.85 27.84 o
3 9 1 19.64 18.35 11.47 o
4 9 1 131.66 174.87 28.54 o
5 9 1 3.27 22.46 17.74 o
6 9 1 7.01 22.42 30.21 o
-5 10 1 71.29 65.48 56.09 o
-4 10 1 45.34 29.20 25.13 o
-3 10 1 23.15 58.07 22.02 o
-2 10 1 61.24 52.02 15.90 o
-1 10 1 196.20 237.06 31.57 o
0 10 1 29.25 36.09 17.39 o
1 10 1 219.41 255.52 29.82 o
2 10 1 127.64 99.63 19.02 o
3 10 1 1.06 1.25 23.85 o
4 10 1 47.62 21.53 26.70 o
5 10 1 46.38 -23.30 27.73 o
-1 11 1 15.86 25.84 21.46 o
0 11 1 70.53 104.78 37.84 o
1 11 1 7.27 -18.49 18.49 o
-12 0 2 184.30 228.38 78.25 o
-10 0 2 77.43 124.83 53.57 o
-8 0 2 68.14 59.95 17.00 o
-6 0 2 341.56 357.61 19.41 o
-4 0 2 3927.66 4944.51 144.80 o
-12 1 2 41.52 74.29 40.83 o
-11 1 2 0.43 -2.43 15.88 o
-10 1 2 384.88 373.33 31.67 o
-9 1 2 16.33 5.89 8.64 o
-8 1 2 60.02 56.53 9.79 o
-7 1 2 417.41 504.36 21.20 o
-6 1 2 1.32 6.83 4.40 o
-5 1 2 0.80 6.08 3.56 o
-4 1 2 169.71 191.63 18.33 o
-11 2 2 2.97 15.94 16.74 o
-10 2 2 0.06 -10.83 10.83 o
-9 2 2 51.19 41.77 11.99 o
-8 2 2 28.47 8.69 8.39 o
-7 2 2 482.25 352.72 46.77 o
-6 2 2 160.06 184.94 12.45 o
-5 2 2 20.83 20.82 5.29 o
-4 2 2 102.90 97.03 12.19 o
-3 2 2 8.84 -24.36 50.70 o
-11 3 2 7.26 -16.81 16.81 o
-10 3 2 186.97 190.86 24.61 o
-9 3 2 3.77 2.69 15.77 o
-8 3 2 260.58 272.71 20.80 o
-7 3 2 102.47 130.47 14.00 o
-6 3 2 547.76 534.70 23.62 o
-5 3 2 111.62 124.27 10.21 o
-4 3 2 128.03 80.50 12.53 o
-3 3 2 45.45 35.44 9.95 o
-11 4 2 46.40 16.59 51.01 o
-10 4 2 3.87 8.61 12.76 o
-9 4 2 721.24 742.82 44.07 o
-8 4 2 0.87 1.44 9.19 o
-7 4 2 667.08 727.12 33.58 o
-6 4 2 5.78 8.18 9.23 o
-5 4 2 214.08 161.90 12.31 o
-4 4 2 52.46 57.69 8.31 o
-3 4 2 0.54 6.70 4.97 o
-2 4 2 3.25 -3.61 7.20 o
-10 5 2 2.85 10.97 16.58 o
-9 5 2 1.48 11.17 13.07 o
-8 5 2 4.61 6.70 9.95 o
-7 5 2 25.02 28.49 10.59 o
-6 5 2 12.74 4.25 6.86 o
-5 5 2 479.81 490.36 32.95 o
-4 5 2 332.38 342.95 20.05 o
-3 5 2 772.19 619.11 55.81 o
-2 5 2 0.97 -5.79 5.79 o
-1 5 2 126.28 94.56 18.05 o
-10 6 2 0.02 -38.57 52.59 o
-9 6 2 87.42 104.57 22.36 o
-8 6 2 29.76 16.08 11.12 o
-7 6 2 468.55 510.40 31.73 o
-6 6 2 0.27 5.91 10.34 o
-5 6 2 1.07 3.79 8.36 o
-4 6 2 1.13 32.42 11.15 o
-3 6 2 169.55 171.74 17.68 o
-2 6 2 573.16 562.39 47.75 o
-1 6 2 156.46 125.42 17.23 o
1 6 2 35.65 11.32 9.55 o
-9 7 2 0.97 31.00 22.85 o
-8 7 2 9.52 29.17 13.89 o
-7 7 2 161.54 154.93 21.43 o
-6 7 2 272.67 296.44 28.45 o
-5 7 2 257.78 237.06 33.92 o
-4 7 2 110.25 83.49 13.04 o
-3 7 2 825.30 951.96 44.17 o
-2 7 2 3.41 -8.22 10.29 o
-1 7 2 1163.93 1210.64 55.63 o
0 7 2 20.62 9.41 7.58 o
-8 8 2 25.44 33.96 22.68 o
-7 8 2 3.69 11.21 18.53 o
-6 8 2 46.35 58.49 18.58 o
-5 8 2 2.17 13.29 14.18 o
-4 8 2 702.66 886.79 52.29 o
-3 8 2 13.72 -2.10 11.61 o
-2 8 2 362.46 399.16 36.33 o
-1 8 2 146.84 102.66 35.17 o
0 8 2 581.06 261.55 99.46 o
1 8 2 10.77 4.47 10.10 o
-7 9 2 75.36 120.50 56.76 o
-6 9 2 145.85 110.87 34.01 o
-5 9 2 0.18 16.73 21.36 o
-4 9 2 416.40 574.71 58.14 o
-3 9 2 0.20 25.61 18.73 o
-2 9 2 91.08 128.35 22.14 o
-1 9 2 69.76 65.19 17.08 o
0 9 2 57.51 26.31 21.76 o
1 9 2 12.95 14.49 13.31 o
-3 10 2 6.95 29.50 20.87 o
-2 10 2 225.69 243.85 57.42 o
-1 10 2 33.12 10.37 13.91 o
0 10 2 106.99 38.03 20.52 o
1 10 2 50.19 -30.56 30.56 o
-10 0 3 2.65 16.09 73.85 o
-11 1 3 10.63 34.48 21.56 o
-10 1 3 53.87 52.81 25.08 o
-9 1 3 57.93 59.99 22.06 o
-8 1 3 103.46 55.79 25.50 o
-7 1 3 1.60 0.74 9.82 o
-11 2 3 0.00 14.62 24.23 o
-10 2 3 98.53 141.09 35.50 o
-9 2 3 116.67 170.78 50.48 o
-8 2 3 539.26 633.42 101.80 o
-7 2 3 66.52 68.38 17.94 o
-6 2 3 12.19 -51.64 51.64 o
-11 3 3 431.83 925.04 157.11 o
-10 3 3 15.90 31.49 18.95 o
-9 3 3 75.27 69.73 24.34 o
-8 3 3 42.15 61.58 19.03 o
-7 3 3 391.04 379.04 35.75 o
-6 3 3 30.68 28.77 22.03 o
-10 4 3 23.27 50.82 23.74 o
-9 4 3 1.93 60.84 25.69 o
-8 4 3 88.79 96.91 18.44 o
-7 4 3 10.89 -13.97 13.97 o
-6 4 3 19.64 -12.17 27.01 o
-10 5 3 69.04 107.83 39.89 o
-9 5 3 63.52 102.46 24.55 o
-8 5 3 3.48 24.79 15.07 o
-7 5 3 81.99 75.45 23.44 o
-9 6 3 78.45 124.78 47.55 o
-8 6 3 234.25 188.13 42.49 o
-7 6 3 210.35 202.57 56.56 o
-6 6 3 64.45 0.15 25.43 o
-8 7 3 32.43 0.50 31.70 o
-7 7 3 22.15 14.72 30.51 o
-5 7 3 18.11 -1.43 13.33 o
-7 8 3 83.99 2.48 69.27 o
-5 8 3 70.75 -51.80 51.80 o