#------------------------------------------------------------------------------
#$Date: 2022-09-02 04:49:51 +0300 (Fri, 02 Sep 2022) $
#$Revision: 277573 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/90/2109029.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_2109029
_cell_angle_alpha                90.000
_cell_angle_beta                 100.451
_cell_angle_gamma                90.000
_cell_length_a                   9.7272
_cell_length_b                   8.4963
_cell_length_c                   7.3318
_exptl_crystal_F_000             328.00
_reflns_d_resolution_high        0.7513
_cod_data_source_file            xk50960.36sup4.hkl
_cod_data_source_block           0.36
_shelx_title                     ' GPI_0 in P2(1)/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            107.26
_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 2675.92 2654.78 69.19 o
4 0 0 1716.18 1779.54 32.56 o
6 0 0 3279.96 3646.11 71.99 o
8 0 0 0.10 1.78 7.67 o
10 0 0 289.36 238.64 48.49 o
12 0 0 8.51 -8.82 13.09 o
1 1 0 138.72 136.89 2.69 o
2 1 0 48.17 48.83 2.99 o
3 1 0 7134.67 6222.25 48.97 o
4 1 0 396.12 495.09 15.86 o
5 1 0 206.96 189.87 11.90 o
6 1 0 265.33 266.25 12.12 o
7 1 0 17.58 25.99 5.83 o
8 1 0 29.01 45.86 7.58 o
9 1 0 90.48 81.57 12.88 o
10 1 0 88.23 73.65 16.30 o
11 1 0 1.82 11.66 10.65 o
12 1 0 27.39 24.62 19.31 o
0 2 0 1552.10 1637.82 18.93 o
1 2 0 133.15 141.51 4.96 o
2 2 0 714.35 635.73 9.51 o
3 2 0 81.15 86.92 4.05 o
4 2 0 432.31 412.03 8.49 o
5 2 0 127.25 104.05 7.08 o
6 2 0 394.76 431.86 16.01 o
7 2 0 90.98 93.70 10.02 o
8 2 0 475.72 519.03 26.43 o
9 2 0 111.50 111.06 15.46 o
10 2 0 156.98 159.92 19.51 o
11 2 0 73.62 69.88 15.61 o
12 2 0 1.34 -7.49 16.73 o
1 3 0 396.69 340.44 8.84 o
2 3 0 878.39 859.08 15.35 o
3 3 0 2367.02 2047.95 27.97 o
4 3 0 714.19 699.07 12.71 o
5 3 0 379.83 403.32 10.36 o
6 3 0 65.87 73.22 6.65 o
7 3 0 557.81 599.55 23.60 o
8 3 0 120.78 141.78 14.93 o
9 3 0 210.07 191.75 19.96 o
10 3 0 17.85 36.05 13.17 o
11 3 0 192.55 167.37 22.54 o
12 3 0 0.06 -15.61 15.61 o
0 4 0 1146.47 1113.52 20.61 o
2 4 0 933.82 910.21 19.61 o
3 4 0 173.01 170.07 8.17 o
4 4 0 333.69 299.38 17.45 o
5 4 0 930.67 940.21 19.83 o
6 4 0 52.86 50.85 6.64 o
7 4 0 245.41 232.21 16.49 o
8 4 0 4.42 2.04 6.70 o
9 4 0 17.90 10.63 11.16 o
10 4 0 3.21 -9.51 9.51 o
11 4 0 41.55 58.33 16.00 o
1 5 0 87.41 76.70 6.03 o
2 5 0 1.97 4.45 2.23 o
3 5 0 1013.14 948.28 22.13 o
4 5 0 3.40 1.86 2.52 o
5 5 0 496.86 505.17 18.21 o
6 5 0 13.11 12.07 4.79 o
7 5 0 508.31 473.44 27.02 o
8 5 0 4.28 20.56 8.44 o
9 5 0 57.08 41.17 14.69 o
10 5 0 14.68 10.47 11.29 o
11 5 0 119.47 150.83 58.69 o
0 6 0 421.32 402.23 21.62 o
1 6 0 86.63 84.31 6.23 o
2 6 0 612.26 583.83 17.20 o
3 6 0 22.54 18.52 3.45 o
4 6 0 638.40 674.54 23.87 o
5 6 0 44.54 30.66 8.20 o
6 6 0 202.31 225.35 18.48 o
7 6 0 7.03 6.77 5.42 o
8 6 0 322.15 351.19 26.30 o
9 6 0 0.59 4.59 8.52 o
10 6 0 103.50 89.82 33.65 o
1 7 0 29.88 19.89 4.25 o
2 7 0 194.17 192.19 12.46 o
3 7 0 1011.09 1002.07 28.74 o
4 7 0 0.41 -0.46 5.79 o
5 7 0 47.44 39.96 9.82 o
6 7 0 38.92 47.81 10.20 o
7 7 0 0.14 6.81 7.82 o
8 7 0 42.24 45.84 11.33 o
9 7 0 8.20 17.21 11.47 o
0 8 0 1726.21 1716.87 64.68 o
1 8 0 1.44 -1.16 4.24 o
2 8 0 0.71 -2.98 5.11 o
3 8 0 85.40 78.15 9.88 o
4 8 0 92.05 108.24 15.07 o
5 8 0 21.33 17.90 8.59 o
6 8 0 425.66 457.89 31.04 o
7 8 0 7.84 18.41 10.92 o
8 8 0 0.34 4.10 11.18 o
9 8 0 25.38 68.65 41.18 o
1 9 0 22.71 35.01 8.36 o
2 9 0 30.60 18.52 13.30 o
3 9 0 169.04 202.95 18.51 o
4 9 0 39.92 59.80 15.58 o
5 9 0 2.60 4.00 11.02 o
6 9 0 14.41 12.46 11.69 o
7 9 0 45.79 21.02 28.90 o
0 10 0 104.70 85.83 22.28 o
1 10 0 8.06 15.80 11.09 o
2 10 0 3.57 -1.83 8.52 o
3 10 0 0.01 9.86 13.58 o
4 10 0 6.60 -8.61 9.32 o
5 10 0 0.59 -12.14 20.74 o
1 11 0 122.26 170.09 33.10 o
-12 0 1 45.50 45.66 20.28 o
-10 0 1 17.37 1.56 10.00 o
-8 0 1 15.86 20.53 7.23 o
-6 0 1 285.99 273.60 18.57 o
-4 0 1 1880.58 2128.89 30.03 o
-2 0 1 1406.33 1436.63 61.90 o
4 0 1 282.23 252.93 25.82 o
6 0 1 18.80 28.05 8.81 o
8 0 1 11.79 16.19 17.16 o
-12 1 1 129.55 156.15 24.62 o
-11 1 1 57.39 70.96 12.26 o
-10 1 1 6.31 9.84 10.24 o
-9 1 1 7.35 6.61 4.74 o
-8 1 1 567.82 547.88 20.12 o
-7 1 1 39.43 31.19 3.58 o
-6 1 1 433.38 497.37 13.78 o
-5 1 1 102.86 101.41 5.43 o
-4 1 1 3370.33 3257.95 36.55 o
-3 1 1 43.81 51.96 3.14 o
-2 1 1 11505.23 11366.19 235.84 o
3 1 1 30.48 22.42 12.11 o
4 1 1 2059.82 2095.01 64.12 o
5 1 1 17.88 28.89 6.67 o
6 1 1 4.07 3.51 5.92 o
7 1 1 345.10 360.43 25.24 o
8 1 1 538.34 460.92 36.14 o
9 1 1 85.37 54.43 23.52 o
-12 2 1 12.28 8.93 14.57 o
-11 2 1 150.81 167.32 21.67 o
-10 2 1 6.16 16.29 7.20 o
-9 2 1 65.65 65.23 8.92 o
-8 2 1 52.27 67.71 8.78 o
-7 2 1 2.97 -1.97 2.95 o
-6 2 1 419.85 374.29 12.77 o
-5 2 1 1518.58 1604.46 26.03 o
-4 2 1 27.74 34.27 3.19 o
-3 2 1 175.96 202.45 5.90 o
-2 2 1 91.89 88.00 5.11 o
-1 2 1 2705.08 2661.58 39.38 o
0 2 1 8.42 7.53 4.98 o
1 2 1 3491.77 3473.86 84.98 o
2 2 1 133.42 80.70 67.38 o
3 2 1 1045.42 1166.45 45.46 o
4 2 1 382.61 370.49 23.08 o
5 2 1 824.87 901.75 34.21 o
6 2 1 88.88 69.73 10.40 o
7 2 1 307.93 293.31 23.08 o
8 2 1 2.28 -6.45 7.06 o
9 2 1 43.53 28.56 10.72 o
-12 3 1 77.61 62.84 28.63 o
-11 3 1 117.12 117.54 19.22 o
-10 3 1 140.68 122.16 16.13 o
-9 3 1 193.18 197.23 17.82 o
-8 3 1 0.38 -4.11 4.11 o
-7 3 1 21.04 16.66 4.87 o
-6 3 1 199.89 204.54 10.49 o
-5 3 1 16.92 14.81 2.71 o
-4 3 1 188.45 198.05 9.02 o
-3 3 1 231.64 237.53 9.89 o
-2 3 1 2631.24 2695.81 46.30 o
-1 3 1 364.51 343.91 15.54 o
0 3 1 0.50 5.09 2.16 o
1 3 1 2301.96 2414.76 41.01 o
2 3 1 435.48 502.77 17.93 o
3 3 1 750.46 807.97 29.19 o
4 3 1 6.04 7.63 3.34 o
5 3 1 250.88 266.50 16.31 o
6 3 1 512.00 552.43 24.78 o
7 3 1 438.52 512.46 31.53 o
8 3 1 36.91 37.27 9.89 o
-11 4 1 97.88 97.36 16.61 o
-10 4 1 9.00 8.71 7.46 o
-9 4 1 624.27 633.02 33.54 o
-8 4 1 129.18 128.32 11.89 o
-7 4 1 626.38 629.80 24.53 o
-6 4 1 308.16 289.52 14.44 o
-5 4 1 3.09 10.17 2.92 o
-4 4 1 435.19 412.27 13.31 o
-3 4 1 69.65 65.28 4.22 o
-2 4 1 262.45 263.01 9.67 o
-1 4 1 2325.41 2372.15 37.18 o
1 4 1 2.28 -2.42 2.53 o
2 4 1 1.65 0.97 1.85 o
3 4 1 907.96 886.55 22.64 o
4 4 1 25.04 21.61 3.60 o
5 4 1 1822.45 2001.99 34.58 o
6 4 1 39.30 35.18 8.09 o
7 4 1 223.90 252.16 26.56 o
8 4 1 0.00 -0.52 13.10 o
-11 5 1 56.29 91.77 34.02 o
-10 5 1 68.29 52.35 14.82 o
-9 5 1 84.01 93.36 12.97 o
-8 5 1 5.55 0.93 4.71 o
-7 5 1 40.75 37.72 7.04 o
-6 5 1 149.73 154.77 12.18 o
-5 5 1 120.77 117.86 9.62 o
-4 5 1 372.11 397.57 14.58 o
-3 5 1 383.42 367.04 12.24 o
-2 5 1 1.78 -0.65 1.70 o
-1 5 1 19.44 20.99 3.14 o
0 5 1 1272.82 1354.33 26.53 o
1 5 1 385.39 368.68 15.36 o
2 5 1 810.14 857.64 19.04 o
3 5 1 62.57 67.06 5.12 o
4 5 1 94.06 88.14 8.03 o
5 5 1 21.33 20.00 3.54 o
6 5 1 573.53 529.80 76.92 o
7 5 1 81.46 74.77 18.63 o
8 5 1 35.76 18.57 9.46 o
-10 6 1 6.02 5.85 10.73 o
-9 6 1 144.31 134.03 16.27 o
-8 6 1 11.44 20.15 8.04 o
-7 6 1 66.24 63.07 9.93 o
-6 6 1 10.68 11.06 6.02 o
-5 6 1 835.53 744.42 28.70 o
-4 6 1 9.84 10.15 4.48 o
-3 6 1 153.58 167.06 10.17 o
-2 6 1 112.06 105.67 7.40 o
-1 6 1 1593.28 1577.15 30.45 o
0 6 1 67.42 63.03 6.38 o
1 6 1 1147.17 1134.16 26.10 o
2 6 1 26.14 25.22 5.23 o
3 6 1 26.78 21.66 6.74 o
4 6 1 155.70 138.40 12.37 o
5 6 1 600.46 594.14 30.06 o
6 6 1 0.21 -9.20 9.20 o
7 6 1 52.04 44.97 16.06 o
8 6 1 2.36 0.77 17.64 o
9 6 1 2.34 33.70 22.85 o
-9 7 1 6.37 18.35 9.65 o
-8 7 1 277.37 264.88 21.88 o
-7 7 1 71.29 73.17 11.07 o
-6 7 1 236.38 211.34 19.00 o
-5 7 1 1.69 5.80 5.81 o
-4 7 1 379.45 379.64 18.99 o
-3 7 1 72.54 63.06 7.33 o
-2 7 1 659.00 654.91 23.83 o
-1 7 1 97.69 90.90 8.92 o
0 7 1 51.95 60.08 7.16 o
1 7 1 154.12 158.11 12.85 o
2 7 1 1166.08 1150.00 32.07 o
3 7 1 149.82 148.71 14.78 o
4 7 1 245.17 258.91 16.92 o
5 7 1 98.62 114.33 13.97 o
6 7 1 63.62 66.88 13.41 o
7 7 1 0.83 -12.11 12.11 o
-9 8 1 7.80 4.02 19.89 o
-8 8 1 73.49 80.19 16.13 o
-7 8 1 0.45 -4.58 8.71 o
-6 8 1 71.37 107.40 15.72 o
-5 8 1 26.73 19.45 8.68 o
-4 8 1 44.51 44.70 11.80 o
-3 8 1 9.23 15.22 6.10 o
-2 8 1 11.86 6.09 6.63 o
-1 8 1 110.68 124.83 12.74 o
0 8 1 72.32 68.56 8.27 o
1 8 1 52.59 63.34 9.56 o
2 8 1 53.92 62.38 9.26 o
3 8 1 33.10 35.17 8.87 o
4 8 1 94.81 109.49 16.08 o
5 8 1 3.35 20.38 9.59 o
6 8 1 48.52 56.18 13.03 o
7 8 1 0.47 -22.56 22.56 o
-7 9 1 18.13 7.66 22.14 o
-6 9 1 41.35 37.47 12.86 o
-5 9 1 0.31 19.86 13.37 o
-4 9 1 203.73 200.76 24.97 o
-3 9 1 6.52 1.73 10.40 o
-2 9 1 470.11 447.05 28.93 o
-1 9 1 32.68 40.85 9.54 o
0 9 1 5.63 6.43 8.55 o
1 9 1 12.95 8.38 6.53 o
2 9 1 332.06 339.93 26.29 o
3 9 1 0.53 -8.85 8.85 o
4 9 1 112.94 124.59 21.21 o
5 9 1 1.08 -5.27 10.26 o
6 9 1 1.30 -3.60 10.85 o
7 9 1 40.04 98.68 50.94 o
-5 10 1 410.99 478.51 85.20 o
-4 10 1 4.06 8.43 12.61 o
-3 10 1 54.66 103.25 21.63 o
-2 10 1 11.60 16.69 9.98 o
-1 10 1 243.68 284.89 27.30 o
0 10 1 21.16 12.51 8.85 o
1 10 1 342.48 396.12 33.24 o
2 10 1 8.21 -1.23 9.63 o
3 10 1 0.03 7.38 17.55 o
4 10 1 30.24 32.29 35.68 o
-1 11 1 11.51 19.16 18.74 o
0 11 1 5.23 11.74 21.97 o
1 11 1 1.85 1.58 16.70 o
-12 0 2 23.98 38.64 16.54 o
-10 0 2 839.20 802.61 47.56 o
-8 0 2 14.22 12.42 6.82 o
-6 0 2 758.64 875.95 20.78 o
-4 0 2 5117.47 5878.59 130.10 o
-12 1 2 35.23 25.42 17.67 o
-11 1 2 8.17 9.73 8.38 o
-10 1 2 37.60 28.62 6.24 o
-9 1 2 8.41 8.39 5.88 o
-8 1 2 84.95 79.49 9.13 o
-7 1 2 525.04 598.87 19.47 o
-6 1 2 45.67 44.98 3.14 o
-5 1 2 162.24 144.41 11.87 o
-4 1 2 206.61 174.90 26.44 o
-12 2 2 40.80 70.93 20.45 o
-11 2 2 19.31 19.65 9.96 o
-10 2 2 176.55 186.94 18.50 o
-9 2 2 61.35 50.46 8.47 o
-8 2 2 147.71 158.03 12.27 o
-7 2 2 159.75 176.73 10.19 o
-6 2 2 165.16 174.17 10.38 o
-5 2 2 0.31 0.52 2.44 o
-4 2 2 19.25 27.05 5.35 o
-3 2 2 8.60 1.86 6.44 o
-12 3 2 30.87 52.50 26.94 o
-11 3 2 35.15 27.12 11.35 o
-10 3 2 78.89 83.56 14.06 o
-9 3 2 97.07 72.49 9.24 o
-8 3 2 83.51 92.02 9.60 o
-7 3 2 239.07 233.82 24.80 o
-6 3 2 84.72 87.77 8.24 o
-5 3 2 26.74 28.09 3.37 o
-4 3 2 169.93 155.42 9.84 o
-3 3 2 76.37 71.93 8.75 o
-11 4 2 36.91 26.87 13.60 o
-10 4 2 5.57 1.88 8.10 o
-9 4 2 250.31 263.84 23.03 o
-8 4 2 14.77 17.06 6.74 o
-7 4 2 388.37 377.82 18.26 o
-6 4 2 6.95 9.64 6.24 o
-5 4 2 28.74 22.54 4.50 o
-4 4 2 75.95 73.01 7.05 o
-3 4 2 156.59 140.90 19.56 o
-2 4 2 1.20 3.16 3.83 o
-1 4 2 47.97 18.11 11.60 o
-11 5 2 77.80 78.92 28.85 o
-10 5 2 1.52 1.25 12.87 o
-9 5 2 151.34 149.40 16.75 o
-8 5 2 2.27 -3.78 5.61 o
-7 5 2 312.81 308.47 20.19 o
-6 5 2 7.72 10.11 4.70 o
-5 5 2 643.54 621.20 22.17 o
-4 5 2 52.03 66.46 7.85 o
-3 5 2 929.87 872.70 41.53 o
-2 5 2 35.30 34.06 6.49 o
-1 5 2 53.48 55.61 9.96 o
-10 6 2 58.20 42.26 12.15 o
-9 6 2 1.21 7.49 7.27 o
-8 6 2 130.29 114.13 13.56 o
-7 6 2 39.50 41.15 7.21 o
-6 6 2 168.16 162.80 13.95 o
-5 6 2 34.19 24.81 7.22 o
-4 6 2 0.37 12.93 4.67 o
-3 6 2 9.63 15.27 4.72 o
-2 6 2 800.12 709.64 32.71 o
-1 6 2 149.12 108.96 36.01 o
0 6 2 691.31 637.03 86.31 o
3 6 2 11.74 -7.55 11.82 o
-9 7 2 1.09 19.66 9.11 o
-8 7 2 0.04 3.90 7.09 o
-7 7 2 568.28 630.12 33.14 o
-6 7 2 51.89 63.84 12.88 o
-5 7 2 170.35 207.62 17.42 o
-4 7 2 14.11 9.81 5.90 o
-3 7 2 698.77 737.40 33.41 o
-2 7 2 3.00 1.39 5.67 o
-1 7 2 659.46 681.53 85.27 o
0 7 2 2.49 2.35 7.06 o
1 7 2 50.74 45.20 10.82 o
-9 8 2 30.45 57.65 31.34 o
-8 8 2 34.72 22.16 17.53 o
-7 8 2 0.29 -3.28 9.45 o
-6 8 2 288.81 289.56 25.16 o
-5 8 2 7.36 2.26 7.55 o
-4 8 2 850.99 921.45 45.88 o
-3 8 2 9.92 10.81 7.49 o
-2 8 2 185.32 138.28 36.43 o
-1 8 2 143.09 112.84 25.10 o
0 8 2 814.52 853.29 70.90 o
1 8 2 24.64 18.77 9.62 o
2 8 2 74.25 20.21 19.84 o
3 8 2 10.35 6.13 9.80 o
-7 9 2 122.36 82.97 37.53 o
-6 9 2 9.46 21.44 9.10 o
-5 9 2 0.89 -3.22 13.61 o
-4 9 2 114.55 144.30 25.17 o
-3 9 2 76.21 78.79 15.58 o
-2 9 2 27.33 43.18 11.44 o
-1 9 2 132.65 113.87 27.40 o
0 9 2 9.99 9.84 7.87 o
1 9 2 1.58 -6.33 9.68 o
2 9 2 4.19 -4.87 8.20 o
-4 10 2 19.74 -27.79 27.79 o
-3 10 2 5.91 -2.72 13.07 o
-2 10 2 124.37 143.27 26.85 o
-1 10 2 6.25 14.48 9.19 o
1 10 2 24.94 -7.92 13.48 o
2 10 2 0.16 -26.13 26.69 o
-12 0 3 0.08 14.70 16.52 o
-10 0 3 0.07 8.14 7.00 o
-8 0 3 139.25 145.11 31.29 o
-6 0 3 0.02 -4.47 7.32 o
-12 1 3 110.17 68.77 31.43 o
-11 1 3 12.25 7.73 12.01 o
-10 1 3 0.59 -2.92 11.36 o
-9 1 3 11.71 8.63 6.14 o
-8 1 3 1089.53 1215.89 67.94 o
-7 1 3 36.14 26.80 6.29 o
-12 2 3 4.10 21.40 20.27 o
-11 2 3 152.04 143.98 20.58 o
-10 2 3 55.67 69.50 15.97 o
-9 2 3 349.71 394.32 32.02 o
-8 2 3 108.66 123.21 13.91 o
-7 2 3 18.11 17.84 8.46 o
-6 2 3 7.26 2.94 8.79 o
-12 3 3 0.08 -18.87 18.87 o
-11 3 3 157.83 100.28 41.44 o
-10 3 3 22.19 18.62 6.90 o
-9 3 3 52.81 65.09 13.77 o
-8 3 3 30.26 34.40 8.18 o
-7 3 3 191.65 238.67 27.53 o
-6 3 3 83.78 43.01 16.78 o
-11 4 3 340.42 329.73 66.74 o
-10 4 3 2.67 8.06 8.61 o
-9 4 3 22.31 18.08 10.30 o
-8 4 3 26.91 46.91 10.75 o
-7 4 3 164.62 172.46 16.31 o
-6 4 3 6.06 6.76 8.63 o
-11 5 3 76.92 55.21 43.49 o
-10 5 3 42.56 61.95 18.80 o
-9 5 3 0.03 4.80 7.66 o
-8 5 3 73.59 81.84 12.93 o
-7 5 3 0.09 -6.99 6.99 o
-6 5 3 1.52 41.17 23.06 o
-5 5 3 64.67 21.28 23.01 o
-10 6 3 22.09 14.49 18.66 o
-9 6 3 194.65 138.40 33.34 o
-8 6 3 28.03 46.30 13.05 o
-7 6 3 36.58 28.94 11.96 o
-6 6 3 22.35 7.69 12.82 o
-4 6 3 0.78 -5.54 11.93 o
-9 7 3 21.67 9.32 14.41 o
-8 7 3 290.25 156.18 71.10 o
-7 7 3 50.89 43.80 17.71 o
-5 7 3 22.96 -1.32 12.75 o
-8 8 3 42.95 -11.17 62.57 o
-7 8 3 0.74 -10.12 13.16 o
-6 8 3 0.45 0.27 21.45 o
-5 8 3 26.09 10.54 17.99 o
-4 8 3 0.00 -6.23 20.95 o
-5 9 3 0.02 23.77 27.68 o