#------------------------------------------------------------------------------
#$Date: 2021-06-05 08:26:10 +0300 (Sat, 05 Jun 2021) $
#$Revision: 265824 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/23/2022386.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_2022386
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   8.5810
_cell_length_b                   9.2648
_cell_length_c                   11.4073
_exptl_crystal_F_000             1072.00
_reflns_d_resolution_high        0.7005
_cod_data_source_file            wm5609Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' khgi3_a.res in Pna2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            643.62
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'
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 0 -16 854.58 828.46 280.52 o
2 0 -16 8070.25 8293.49 355.71 o
1 1 -16 30.92 -80.81 179.13 o
2 1 -16 12.32 -182.77 191.44 o
0 2 -16 217.52 -67.61 262.62 o
1 2 -16 1378.18 1456.91 198.04 o
2 0 -15 194.57 -235.14 235.14 o
4 0 -15 708.19 654.00 298.38 o
0 1 -15 473.51 397.62 182.88 o
1 1 -15 6370.35 6218.13 193.06 o
2 1 -15 5881.28 5946.91 228.49 o
3 1 -15 5473.40 5531.98 219.03 o
4 1 -15 378.54 330.76 180.73 o
1 2 -15 119.39 279.33 131.11 o
2 2 -15 3.57 67.81 170.68 o
3 2 -15 360.34 318.25 164.75 o
4 2 -15 44.57 54.53 173.12 o
0 3 -15 7174.37 7178.76 292.86 o
1 3 -15 2352.71 2235.29 170.46 o
2 3 -15 17012.52 16309.79 300.34 o
3 3 -15 2132.15 1792.36 200.39 o
1 4 -15 756.80 738.26 166.21 o
2 4 -15 20.01 -150.44 158.31 o
3 4 -15 250.92 134.28 174.67 o
0 5 -15 2982.99 3152.19 324.77 o
1 5 -15 248.71 320.20 203.37 o
0 0 -14 21091.81 21110.42 554.28 o
2 0 -14 22050.21 22486.92 445.02 o
4 0 -14 14235.25 13930.11 451.86 o
6 0 -14 11332.75 11316.90 398.90 o
1 1 -14 109.36 42.84 131.91 o
2 1 -14 26.26 -45.25 172.54 o
3 1 -14 127.19 59.27 139.92 o
4 1 -14 50.65 3.57 165.50 o
5 1 -14 386.60 433.67 178.24 o
6 1 -14 179.58 231.10 189.36 o
0 2 -14 6771.08 6275.62 265.40 o
1 2 -14 578.21 548.98 132.71 o
2 2 -14 1378.41 1364.20 177.74 o
3 2 -14 651.93 620.67 167.08 o
4 2 -14 4977.97 5232.22 206.89 o
5 2 -14 292.56 137.93 173.94 o
1 3 -14 363.74 290.11 139.54 o
2 3 -14 61.08 -125.62 144.35 o
3 3 -14 398.52 428.51 149.90 o
4 3 -14 339.14 188.04 139.08 o
5 3 -14 279.09 304.93 151.07 o
0 4 -14 3006.17 3117.26 252.74 o
1 4 -14 13692.74 13898.47 273.25 o
2 4 -14 1041.02 1007.12 172.10 o
3 4 -14 11024.91 10877.44 253.71 o
4 4 -14 2058.10 1961.51 165.58 o
5 4 -14 8298.00 7986.00 251.23 o
1 5 -14 614.72 585.65 184.72 o
2 5 -14 23.75 -23.57 161.52 o
3 5 -14 1044.05 1071.41 182.03 o
4 5 -14 83.50 134.55 194.31 o
0 6 -14 548.99 1235.09 386.83 o
1 6 -14 2037.74 2057.10 226.73 o
2 6 -14 2950.89 2913.96 246.11 o
2 0 -13 135.86 -142.18 217.33 o
4 0 -13 255.92 52.32 222.75 o
6 0 -13 415.90 364.89 247.21 o
0 1 -13 20874.21 20830.17 437.69 o
1 1 -13 2711.93 2780.70 147.25 o
2 1 -13 4261.32 4492.99 207.60 o
3 1 -13 1812.57 1892.33 162.43 o
4 1 -13 15060.67 15077.26 262.54 o
5 1 -13 1247.31 1509.82 171.33 o
6 1 -13 1557.49 1640.18 192.31 o
7 1 -13 743.16 594.17 189.85 o
1 2 -13 259.38 205.20 134.30 o
2 2 -13 111.59 5.23 150.05 o
3 2 -13 501.13 510.53 156.84 o
4 2 -13 103.85 -52.69 142.23 o
5 2 -13 434.52 442.76 176.75 o
6 2 -13 473.05 484.10 185.49 o
7 2 -13 719.71 512.56 219.71 o
0 3 -13 14396.90 14629.98 347.37 o
1 3 -13 4813.10 5003.98 176.93 o
2 3 -13 698.99 915.95 142.95 o
3 3 -13 4393.51 4629.36 171.03 o
4 3 -13 11214.63 11477.89 213.11 o
5 3 -13 2593.72 2716.33 174.90 o
6 3 -13 148.05 248.67 160.93 o
1 4 -13 709.28 831.79 162.41 o
2 4 -13 24.31 84.75 138.89 o
3 4 -13 1103.47 1052.08 157.67 o
4 4 -13 146.70 239.44 151.65 o
5 4 -13 232.18 291.64 157.99 o
6 4 -13 124.39 136.85 170.74 o
0 5 -13 1835.63 2018.28 273.59 o
1 5 -13 7731.46 7797.06 252.98 o
2 5 -13 1724.39 1591.65 197.97 o
3 5 -13 6710.50 6778.24 262.14 o
4 5 -13 1361.39 1318.62 165.99 o
5 5 -13 4014.39 4229.01 233.23 o
1 6 -13 1020.18 864.69 194.25 o
2 6 -13 131.49 86.35 197.29 o
3 6 -13 1483.57 1468.96 190.92 o
4 6 -13 140.05 94.88 193.69 o
0 7 -13 270.61 209.46 308.09 o
1 7 -13 3454.81 3858.39 240.45 o
2 7 -13 4156.96 4245.72 234.81 o
3 7 -13 3301.05 3597.66 219.65 o
0 0 -12 61470.55 63743.75 818.97 o
2 0 -12 30942.79 31778.33 524.39 o
4 0 -12 45128.60 46207.37 591.46 o
6 0 -12 11812.43 12712.25 353.16 o
8 0 -12 15318.55 15876.40 397.08 o
1 1 -12 145.85 277.75 125.48 o
2 1 -12 46.47 35.39 152.64 o
3 1 -12 538.73 394.94 142.75 o
4 1 -12 136.52 -127.37 132.57 o
5 1 -12 802.01 841.71 153.45 o
6 1 -12 325.02 86.85 164.49 o
7 1 -12 1318.69 1251.01 149.77 o
8 1 -12 52.96 84.70 145.80 o
0 2 -12 16191.77 16473.14 307.58 o
1 2 -12 5749.42 5761.11 186.70 o
2 2 -12 352.42 393.93 161.17 o
3 2 -12 3742.43 4103.60 179.26 o
4 2 -12 11843.98 12022.31 204.35 o
5 2 -12 2841.89 3065.64 175.22 o
6 2 -12 147.30 -72.56 150.15 o
7 2 -12 1327.12 1453.11 177.94 o
8 2 -12 5316.12 5171.86 210.94 o
1 3 -12 578.69 612.76 144.90 o
2 3 -12 469.57 283.38 120.94 o
3 3 -12 925.56 854.96 135.87 o
4 3 -12 907.24 707.51 131.66 o
5 3 -12 133.57 164.60 141.83 o
6 3 -12 1371.57 1417.29 149.57 o
7 3 -12 879.88 868.10 186.25 o
0 4 -12 5399.37 5317.16 289.76 o
1 4 -12 28635.64 28964.99 355.96 o
2 4 -12 1632.88 1642.52 150.83 o
3 4 -12 24319.71 23524.04 295.21 o
4 4 -12 3959.84 4437.62 183.60 o
5 4 -12 14152.52 13964.13 321.97 o
6 4 -12 788.00 766.08 146.39 o
7 4 -12 9383.83 9566.33 310.90 o
1 5 -12 1082.52 1072.41 185.66 o
2 5 -12 117.41 269.08 171.47 o
3 5 -12 1516.17 1451.22 166.74 o
4 5 -12 127.07 150.61 138.24 o
5 5 -12 832.54 808.97 189.28 o
6 5 -12 327.86 404.96 168.38 o
0 6 -12 7826.42 7859.60 376.83 o
1 6 -12 4238.05 4372.54 218.62 o
2 6 -12 6271.99 6446.94 233.76 o
3 6 -12 3772.61 3780.22 191.46 o
4 6 -12 5022.24 5068.18 176.75 o
5 6 -12 2179.93 1891.32 213.55 o
6 6 -12 3227.56 3233.59 260.69 o
1 7 -12 1247.57 1265.08 201.31 o
2 7 -12 82.68 59.56 189.88 o
3 7 -12 2257.35 2248.41 186.26 o
4 7 -12 135.58 204.59 162.39 o
5 7 -12 974.67 961.36 223.02 o
0 8 -12 6759.56 6496.70 427.13 o
1 8 -12 989.38 975.28 197.12 o
2 8 -12 10935.17 11254.93 298.24 o
3 8 -12 1125.09 1163.16 200.90 o
2 0 -11 138.09 -148.16 186.24 o
4 0 -11 407.41 339.43 194.33 o
6 0 -11 338.18 93.91 224.04 o
8 0 -11 304.73 314.50 208.45 o
0 1 -11 22648.90 22290.81 389.66 o
1 1 -11 2226.08 2226.04 125.99 o
2 1 -11 16120.09 15308.46 259.74 o
3 1 -11 1181.41 1027.62 147.90 o
4 1 -11 14128.78 13938.87 224.59 o
5 1 -11 1296.20 1065.59 148.57 o
6 1 -11 9218.10 9232.54 238.53 o
7 1 -11 648.62 726.66 127.23 o
8 1 -11 5425.94 5364.40 186.52 o
1 2 -11 384.63 333.13 124.91 o
2 2 -11 11.34 -79.31 147.78 o
3 2 -11 476.16 475.02 124.05 o
4 2 -11 290.45 257.36 116.60 o
5 2 -11 615.42 681.93 139.65 o
6 2 -11 171.32 48.52 145.47 o
7 2 -11 137.47 149.40 136.46 o
8 2 -11 364.58 417.85 138.54 o
0 3 -11 8988.81 9740.87 281.41 o
1 3 -11 6704.73 6575.65 185.10 o
2 3 -11 9534.63 9525.38 186.96 o
3 3 -11 4238.29 4268.67 157.93 o
4 3 -11 7483.10 7470.60 176.99 o
5 3 -11 4511.02 4711.33 176.79 o
6 3 -11 5522.03 5771.10 193.25 o
7 3 -11 1995.69 2081.62 156.57 o
8 3 -11 2684.49 2531.40 179.53 o
1 4 -11 1126.84 1059.92 155.04 o
2 4 -11 24.32 -136.16 136.16 o
3 4 -11 1494.63 1600.81 158.57 o
4 4 -11 53.16 -73.61 127.90 o
5 4 -11 688.18 621.89 168.54 o
6 4 -11 194.21 75.86 147.16 o
7 4 -11 1151.33 1235.07 201.83 o
8 4 -11 135.00 63.88 161.20 o
0 5 -11 2258.69 2256.89 246.45 o
1 5 -11 10509.84 10748.85 265.51 o
2 5 -11 3135.42 3107.85 189.20 o
3 5 -11 9014.53 9121.65 202.30 o
4 5 -11 1705.75 1705.04 134.70 o
5 5 -11 6844.88 7088.46 227.69 o
6 5 -11 1785.51 2032.70 187.96 o
7 5 -11 3509.90 3501.00 218.29 o
1 6 -11 1914.42 1779.09 189.20 o
2 6 -11 33.18 3.25 168.25 o
3 6 -11 1501.63 1655.41 161.13 o
4 6 -11 109.33 200.40 120.74 o
5 6 -11 1327.82 1177.57 182.91 o
6 6 -11 80.52 51.81 211.54 o
7 6 -11 938.96 865.42 209.70 o
0 7 -11 2085.16 2370.73 293.71 o
1 7 -11 5841.05 5931.61 227.24 o
2 7 -11 1623.16 1594.58 192.32 o
3 7 -11 5452.37 5763.54 225.67 o
4 7 -11 1611.03 1577.04 159.72 o
5 7 -11 3258.91 2981.95 226.47 o
6 7 -11 1166.96 820.08 210.35 o
1 8 -11 1836.01 1862.06 190.04 o
2 8 -11 21.73 49.79 175.37 o
3 8 -11 1499.03 1573.32 198.06 o
4 8 -11 144.77 -2.36 154.62 o
5 8 -11 1496.52 1454.44 211.78 o
0 9 -11 3719.85 3677.60 349.03 o
1 9 -11 120.23 8.53 210.32 o
2 9 -11 4303.03 4808.97 258.44 o
3 9 -11 110.96 42.99 199.64 o
0 0 -10 9478.34 9429.83 419.02 o
2 0 -10 38369.71 38071.79 413.84 o
4 0 -10 3056.79 2872.06 196.26 o
6 0 -10 19350.13 19995.92 412.22 o
8 0 -10 261.90 308.27 173.36 o
1 1 -10 222.08 187.45 112.60 o
2 1 -10 393.69 170.05 118.60 o
3 1 -10 999.62 925.63 118.66 o
4 1 -10 792.41 741.99 112.27 o
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6 1 -10 1546.37 1564.90 137.43 o
7 1 -10 757.07 650.91 133.94 o
8 1 -10 1532.93 1459.84 135.93 o
9 1 -10 879.49 861.15 190.93 o
0 2 -10 19391.90 19736.10 333.99 o
1 2 -10 32014.74 33027.74 298.66 o
2 2 -10 49808.52 49750.34 470.67 o
3 2 -10 29858.25 30182.56 273.60 o
4 2 -10 12199.49 12449.20 198.23 o
5 2 -10 15654.21 15634.44 231.16 o
6 2 -10 23000.47 22928.13 283.76 o
7 2 -10 8976.98 8543.73 196.66 o
8 2 -10 3788.73 3804.10 173.16 o
9 2 -10 3738.06 3554.67 222.03 o
1 3 -10 1578.19 1472.82 137.41 o
2 3 -10 209.32 138.67 114.59 o
3 3 -10 487.04 520.21 122.80 o
4 3 -10 789.38 976.76 120.04 o
5 3 -10 1520.08 1401.32 140.13 o
6 3 -10 1280.86 1347.04 142.32 o
7 3 -10 290.88 202.96 132.13 o
8 3 -10 1051.65 1127.91 135.41 o
9 3 -10 825.08 733.97 187.35 o
0 4 -10 8364.38 8237.46 261.70 o
1 4 -10 9920.09 9996.71 220.69 o
2 4 -10 14438.93 14940.61 272.32 o
3 4 -10 7307.75 7240.24 188.25 o
4 4 -10 4043.23 4184.53 150.69 o
5 4 -10 6234.28 6679.41 199.07 o
6 4 -10 7836.82 7836.20 238.32 o
7 4 -10 2465.17 2471.12 183.32 o
8 4 -10 1270.80 1111.00 166.92 o
1 5 -10 2499.29 2607.64 189.86 o
2 5 -10 17.63 -6.99 143.37 o
3 5 -10 1745.73 1802.42 140.15 o
4 5 -10 589.64 458.72 110.59 o
5 5 -10 3958.25 4109.78 190.86 o
6 5 -10 161.95 230.00 169.53 o
7 5 -10 1482.54 1494.62 170.05 o
8 5 -10 444.11 570.34 194.44 o
0 6 -10 20703.81 21055.73 445.64 o
1 6 -10 12326.85 12239.47 271.60 o
2 6 -10 16918.01 16947.42 288.19 o
3 6 -10 8982.97 9495.16 236.06 o
4 6 -10 13668.31 13085.27 229.31 o
5 6 -10 7967.74 7914.60 235.55 o
6 6 -10 5671.44 6083.11 260.85 o
7 6 -10 3564.48 3624.36 213.61 o
1 7 -10 2278.64 2417.37 188.41 o
2 7 -10 17.28 66.00 155.03 o
3 7 -10 1752.16 1910.27 176.58 o
4 7 -10 101.81 148.27 138.32 o
5 7 -10 2187.78 2116.02 209.12 o
6 7 -10 160.89 7.39 181.06 o
7 7 -10 1212.42 1175.83 214.88 o
0 8 -10 5458.52 5650.69 280.84 o
1 8 -10 10979.29 11433.37 311.20 o
2 8 -10 617.73 484.15 163.20 o
3 8 -10 7637.37 7844.66 243.16 o
4 8 -10 4115.58 3876.18 176.46 o
5 8 -10 7082.64 7761.93 286.37 o
6 8 -10 257.31 211.61 212.04 o
1 9 -10 1901.66 2002.11 238.62 o
2 9 -10 141.11 65.88 173.47 o
3 9 -10 1317.23 1297.76 191.32 o
4 9 -10 705.27 535.14 189.90 o
0 10 -10 4438.82 4469.10 386.38 o
1 10 -10 3853.77 3736.85 265.55 o
2 10 -10 1942.45 1967.84 248.81 o
2 0 -9 395.54 252.48 132.59 o
4 0 -9 1281.11 1051.94 143.85 o
6 0 -9 2116.01 2037.26 162.34 o
8 0 -9 2049.37 2515.90 204.40 o
10 0 -9 549.77 1006.90 344.10 o
0 1 -9 2854.31 2869.24 184.45 o
1 1 -9 10892.00 10964.83 176.27 o
2 1 -9 54459.02 54914.48 364.82 o
3 1 -9 11154.18 10876.63 170.23 o
4 1 -9 1766.74 1665.46 95.77 o
5 1 -9 5524.97 5740.23 159.67 o
6 1 -9 28605.05 28101.35 277.87 o
7 1 -9 3051.95 3338.79 148.39 o
8 1 -9 524.79 507.52 158.37 o
9 1 -9 1103.62 691.62 182.14 o
10 1 -9 8915.82 8927.35 271.44 o
1 2 -9 521.36 398.75 109.58 o
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3 2 -9 665.07 649.68 105.61 o
4 2 -9 623.70 730.19 101.87 o
5 2 -9 1121.12 1057.34 117.13 o
6 2 -9 36.92 -81.91 119.19 o
7 2 -9 91.96 57.58 125.50 o
8 2 -9 788.88 601.31 139.83 o
9 2 -9 986.54 951.94 169.04 o
10 2 -9 26.29 168.41 182.45 o
0 3 -9 19991.80 19334.14 342.36 o
1 3 -9 12261.95 12538.83 211.32 o
2 3 -9 33055.18 32663.19 296.34 o
3 3 -9 9584.27 9962.79 204.19 o
4 3 -9 10598.84 10479.26 170.35 o
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6 3 -9 15025.21 15492.18 235.39 o
7 3 -9 3521.56 3676.85 150.88 o
8 3 -9 3522.85 3747.30 157.23 o
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1 4 -9 2370.49 2569.46 145.56 o
2 4 -9 11.74 -27.85 113.89 o
3 4 -9 998.56 1001.63 115.70 o
4 4 -9 57.45 65.82 105.70 o
5 4 -9 3354.19 3547.75 163.90 o
6 4 -9 138.37 229.53 152.57 o
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8 4 -9 170.38 -63.19 147.53 o
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0 5 -9 4756.79 4889.99 249.52 o
1 5 -9 17200.56 17508.19 270.06 o
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6 5 -9 3798.74 3827.94 205.46 o
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8 5 -9 1450.77 1485.60 195.70 o
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8 0 -8 2331.35 2638.53 190.97 o
10 0 -8 4674.86 4147.43 319.47 o
1 1 -8 704.44 750.00 91.97 o
2 1 -8 250.02 135.40 84.63 o
3 1 -8 37.09 80.62 74.65 o
4 1 -8 2017.53 2051.08 95.68 o
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6 1 -8 928.99 955.48 114.01 o
7 1 -8 731.13 755.34 129.45 o
8 1 -8 1471.84 1531.24 176.28 o
9 1 -8 501.19 373.51 148.39 o
10 1 -8 1355.65 1383.26 195.98 o
0 2 -8 53708.82 53272.26 458.77 o
1 2 -8 43730.26 43199.02 276.40 o
2 2 -8 41790.04 41921.07 275.55 o
3 2 -8 25415.84 24886.22 219.95 o
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10 2 -8 5505.41 5525.11 205.22 o
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2 3 -8 237.94 265.67 95.85 o
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8 3 -8 1030.28 1131.81 128.35 o
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