#------------------------------------------------------------------------------
#$Date: 2021-06-09 08:19:57 +0300 (Wed, 09 Jun 2021) $
#$Revision: 266288 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/38/2243851.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_2243851
_cell_angle_alpha                97.512
_cell_angle_beta                 100.345
_cell_angle_gamma                99.437
_cell_length_a                   6.0767
_cell_length_b                   6.1886
_cell_length_c                   11.7269
_exptl_crystal_F_000             368.00
_reflns_d_resolution_high        0.7331
_cod_data_source_file            dx2037Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' a_a.res in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            236.45
_shelx_f_squared_multiplier      1.000
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
1 0 0 6988.87 7975.54 89.07 o
2 0 0 3186.48 3514.32 128.72 o
3 0 0 942.62 840.05 82.39 o
4 0 0 10139.69 10534.24 295.42 o
4 0 0 3388.00 3067.29 116.18 o
5 0 0 885.87 886.84 115.44 o
5 0 0 296.16 296.49 57.93 o
6 0 0 26.05 112.58 73.92 o
6 0 0 77.92 1.08 76.38 o
7 0 0 112.02 124.63 89.78 o
7 0 0 462.90 665.29 227.37 o
8 0 0 67.64 27.27 101.85 o
8 0 0 202.33 315.69 142.56 o
-8 1 0 119.85 63.01 104.04 o
-8 1 0 387.74 481.89 245.88 o
-7 1 0 41.34 49.65 62.60 o
-7 1 0 123.65 96.48 91.41 o
-6 1 0 520.89 533.86 119.55 o
-6 1 0 1558.04 1576.54 160.28 o
-5 1 0 103.14 130.91 41.52 o
-5 1 0 403.36 310.48 118.43 o
-4 1 0 2562.00 2389.58 151.54 o
-4 1 0 856.42 947.28 57.19 o
-3 1 0 140.47 70.77 42.22 o
-3 1 0 46.96 68.22 23.23 o
-2 1 0 302.36 343.44 23.31 o
-2 1 0 904.40 807.73 43.78 o
-1 1 0 10.43 20.36 8.54 o
-1 1 0 38.99 44.94 16.98 o
0 1 0 43.16 60.20 8.77 o
0 1 0 129.10 190.65 16.72 o
0 1 0 164.81 130.88 48.55 o
1 1 0 406.48 424.66 27.45 o
1 1 0 135.90 192.13 30.21 o
2 1 0 4699.73 3951.24 95.46 o
2 1 0 684.83 624.33 67.15 o
2 1 0 2048.41 1730.79 62.29 o
3 1 0 1260.02 1106.47 118.56 o
3 1 0 315.57 382.03 71.74 o
4 1 0 2116.30 2115.63 151.03 o
4 1 0 707.53 686.76 99.84 o
5 1 0 276.63 276.79 98.25 o
6 1 0 1316.06 1732.31 243.99 o
6 1 0 365.02 511.25 114.75 o
-7 2 0 74.99 33.41 84.33 o
-6 2 0 1817.28 1030.96 105.92 o
-6 2 0 605.32 740.61 142.66 o
-5 2 0 1624.78 1643.31 158.18 o
-5 2 0 4871.60 4839.16 143.42 o
-4 2 0 13.80 26.77 42.85 o
-4 2 0 4.61 19.99 27.93 o
-3 2 0 109.63 157.15 37.82 o
-3 2 0 330.75 389.32 90.59 o
-3 2 0 327.92 309.71 80.28 o
-2 2 0 4926.98 6138.24 126.24 o
-2 2 0 18423.85 18232.93 210.93 o
-1 2 0 11652.71 13445.79 172.16 o
-1 2 0 34854.73 40340.98 295.29 o
0 2 0 106.53 126.38 18.78 o
0 2 0 318.64 347.48 36.69 o
1 2 0 283.83 332.51 72.45 o
1 2 0 1140.75 1152.65 77.99 o
2 2 0 11340.25 11207.88 193.06 o
2 2 0 3686.93 2764.59 151.95 o
2 2 0 11028.07 10471.25 290.92 o
3 2 0 7633.32 6745.99 113.69 o
3 2 0 2551.99 2329.28 162.60 o
4 2 0 156.68 95.65 63.25 o
4 2 0 52.38 72.54 73.81 o
5 2 0 80.01 203.69 91.26 o
5 2 0 245.16 -11.68 178.48 o
6 2 0 186.84 94.24 96.01 o
6 2 0 863.08 1092.43 235.74 o
7 2 0 178.47 164.66 114.76 o
7 2 0 59.67 39.26 117.19 o
-8 3 0 20.99 -105.86 110.51 o
-7 3 0 882.16 909.27 204.79 o
-7 3 0 224.71 193.55 119.88 o
-4 3 0 733.46 431.59 93.76 o
-3 3 0 406.07 383.25 68.33 o
-1 3 0 331.96 272.56 72.82 o
0 3 0 4626.09 5182.31 151.05 o
0 3 0 45.20 12.75 25.17 o
1 3 0 2834.90 2915.59 179.96 o
1 3 0 840.32 880.65 145.36 o
1 3 0 2513.49 2386.90 154.34 o
2 3 0 68.35 155.63 84.56 o
2 3 0 204.43 249.46 49.26 o
3 3 0 2223.07 2028.30 99.89 o
3 3 0 743.22 527.78 107.85 o
4 3 0 2.74 -43.79 70.34 o
4 3 0 8.18 20.52 53.61 o
5 3 0 454.00 386.74 122.52 o
5 3 0 1512.52 1589.53 250.00 o
6 3 0 24.43 20.59 104.20 o
6 3 0 8.17 10.43 89.08 o
-7 4 0 1463.90 1396.31 162.58 o
-7 4 0 488.56 627.64 93.27 o
-6 4 0 243.67 283.02 62.78 o
-6 4 0 730.98 714.33 211.48 o
-6 4 0 728.84 733.53 131.63 o
-5 4 0 142.12 169.73 53.75 o
-5 4 0 629.65 550.98 115.24 o
-4 4 0 984.48 1049.92 88.66 o
-4 4 0 263.27 286.67 59.64 o
-3 4 0 15691.35 15321.26 272.27 o
-3 4 0 4264.01 4530.93 141.84 o
-2 4 0 1337.54 1373.09 81.24 o
-2 4 0 4000.74 3755.48 128.68 o
-1 4 0 1230.13 1238.41 91.25 o
-1 4 0 410.48 559.87 68.75 o
0 4 0 211.53 2.51 81.97 o
0 4 0 632.71 901.59 154.69 o
0 4 0 1141.30 1328.00 112.12 o
1 4 0 10298.26 10384.59 210.34 o
3 4 0 418.00 623.60 178.94 o
4 4 0 509.03 393.64 127.90 o
4 4 0 598.97 725.73 220.64 o
6 4 0 398.53 820.14 395.37 o
6 4 0 52.07 40.22 116.42 o
-7 5 0 68.48 108.33 112.90 o
-6 5 0 152.83 316.12 138.95 o
-6 5 0 47.49 23.30 105.94 o
-5 5 0 68.15 115.54 52.19 o
-5 5 0 254.83 198.09 123.42 o
-4 5 0 2.18 -18.67 43.35 o
-3 5 0 41.83 63.66 45.04 o
-3 5 0 13.98 23.00 52.06 o
-2 5 0 16.99 112.97 46.46 o
-2 5 0 1778.76 1796.34 117.83 o
-1 5 0 1814.12 1975.84 118.14 o
-1 5 0 251.63 514.93 67.96 o
0 5 0 190.30 119.16 37.96 o
0 5 0 569.20 717.25 89.57 o
1 5 0 1754.44 1776.09 159.75 o
1 5 0 1441.96 1486.62 177.03 o
1 5 0 482.08 359.02 57.68 o
2 5 0 554.73 240.23 205.18 o
2 5 0 148.60 73.96 114.89 o
2 5 0 444.48 340.49 118.70 o
3 5 0 680.16 474.67 126.13 o
3 5 0 849.36 1036.49 238.29 o
3 5 0 227.39 269.51 153.70 o
4 5 0 383.11 460.04 90.32 o
5 5 0 89.60 78.73 130.93 o
-6 6 0 341.78 693.10 268.83 o
-5 6 0 3286.01 2720.26 197.18 o
-4 6 0 4189.96 3214.76 272.65 o
-3 6 0 111.26 193.38 180.42 o
-3 6 0 0.61 -8.42 106.17 o
-2 6 0 60.43 102.18 51.81 o
-2 6 0 250.03 193.79 107.12 o
-1 6 0 2312.85 2261.20 127.93 o
-1 6 0 773.24 666.36 72.53 o
0 6 0 4509.52 5066.79 235.72 o
0 6 0 3976.71 3695.12 282.22 o
0 6 0 1329.50 1137.86 84.33 o
1 6 0 66.14 22.83 40.94 o
1 6 0 197.82 209.53 104.83 o
1 6 0 224.63 251.04 133.72 o
2 6 0 31.45 -7.69 126.50 o
2 6 0 94.06 93.48 63.67 o
3 6 0 145.25 35.00 160.01 o
3 6 0 434.45 311.48 103.71 o
4 6 0 242.99 345.72 137.22 o
4 6 0 81.24 324.80 172.17 o
-5 7 0 0.15 -35.62 63.37 o
-5 7 0 0.46 -157.03 146.16 o
-4 7 0 282.92 534.34 187.74 o
-3 7 0 103.17 -282.07 236.79 o
-3 7 0 475.90 895.31 242.81 o
-3 7 0 528.40 598.25 191.70 o
-2 7 0 634.14 374.66 112.92 o
-1 7 0 53.71 -160.49 142.14 o
0 7 0 1090.40 1263.72 171.52 o
1 7 0 24.86 4.21 112.01 o
2 7 0 655.38 232.80 221.95 o
3 7 0 0.03 -304.55 283.04 o
3 7 0 0.01 93.69 164.19 o
3 7 0 0.03 139.30 246.90 o
-3 8 0 22.90 26.00 68.02 o
-3 8 0 68.51 159.23 79.65 o
-2 8 0 511.48 363.75 96.08 o
-2 8 0 1529.91 1471.42 238.31 o
-1 8 0 257.50 134.17 70.17 o
-1 8 0 770.20 538.07 166.80 o
0 8 0 8.97 -24.48 73.22 o
0 8 0 3.00 -3.54 59.29 o
-1 -8 1 442.46 448.09 103.92 o
-1 -8 1 147.92 66.89 156.27 o
0 -8 1 12.34 37.69 85.70 o
0 -8 1 4.13 19.00 64.37 o
1 -8 1 140.34 188.78 71.48 o
1 -8 1 419.77 667.43 205.76 o
2 -8 1 14.89 131.26 152.85 o
2 -8 1 44.54 69.89 158.28 o
3 -8 1 172.41 239.18 318.25 o
-3 -7 1 300.74 296.98 210.29 o
-3 -7 1 47.78 230.00 166.07 o
-3 -7 1 142.90 -61.23 137.32 o
-2 -7 1 144.43 62.64 66.34 o
-2 -7 1 48.29 -195.42 133.97 o
-1 -7 1 1256.30 1320.41 122.95 o
-1 -7 1 420.01 432.66 173.58 o
0 -7 1 405.69 327.31 67.27 o
0 -7 1 1213.46 1485.00 236.08 o
0 -7 1 1399.41 1621.26 174.44 o
1 -7 1 0.62 -24.53 45.48 o
1 -7 1 26.98 8.79 141.81 o
1 -7 1 1.86 -100.81 109.92 o
2 -7 1 1.69 -17.73 52.20 o
2 -7 1 5.04 -6.60 54.53 o
3 -7 1 3036.77 3091.30 178.77 o
3 -7 1 985.72 954.42 104.88 o
4 -7 1 1959.16 1787.16 169.21 o
4 -7 1 633.81 712.26 111.21 o
5 -7 1 53.06 -71.37 152.04 o
5 -7 1 17.74 -25.29 119.04 o
-4 -6 1 420.22 200.27 220.53 o
-3 -6 1 160.92 433.24 218.37 o
-3 -6 1 53.24 -25.51 121.85 o
-2 -6 1 383.73 556.75 291.74 o
-2 -6 1 1009.48 1323.29 199.21 o
-2 -6 1 1009.54 1319.76 189.52 o
-1 -6 1 127.11 143.24 48.56 o
-1 -6 1 380.21 264.99 120.22 o
-1 -6 1 261.29 435.61 260.32 o
-1 -6 1 435.68 606.11 166.53 o
0 -6 1 930.99 962.07 195.00 o
0 -6 1 701.01 807.35 254.12 o
0 -6 1 1366.57 1462.28 155.41 o
1 -6 1 96.56 88.94 110.09 o
1 -6 1 32.28 49.11 49.94 o
2 -6 1 84.57 187.66 60.15 o
2 -6 1 288.08 315.08 215.74 o
3 -6 1 34.10 76.48 99.51 o
3 -6 1 3.10 21.44 47.69 o
4 -6 1 8.58 -69.04 101.12 o
4 -6 1 2.87 -3.85 49.30 o
4 -6 1 190.90 443.92 185.07 o
5 -6 1 14.42 -20.55 52.82 o
5 -6 1 78.68 -91.79 141.75 o
6 -6 1 156.45 108.34 172.87 o
6 -6 1 41.84 73.17 61.32 o
-5 -5 1 81.57 107.15 142.59 o
-5 -5 1 243.97 248.96 141.14 o
-4 -5 1 189.59 96.80 76.04 o
-4 -5 1 63.38 158.14 124.37 o
-3 -5 1 778.89 899.95 226.71 o
-3 -5 1 621.69 742.23 139.10 o
-3 -5 1 207.84 289.55 151.54 o
-2 -5 1 1153.64 817.97 177.69 o
-2 -5 1 3450.69 3237.28 218.25 o
-1 -5 1 284.36 184.63 44.25 o
-1 -5 1 1185.88 1150.80 139.30 o
-1 -5 1 886.12 1031.14 201.03 o
0 -5 1 381.91 219.48 85.35 o
1 -5 1 2187.97 2416.91 126.87 o
2 -5 1 14488.56 15489.59 263.01 o
5 -5 1 701.99 630.20 169.69 o
6 -5 1 3558.22 2584.97 248.61 o
6 -5 1 908.73 977.08 185.94 o
7 -5 1 246.15 416.06 185.20 o
7 -5 1 82.29 172.83 65.45 o
-6 -4 1 121.76 101.61 102.43 o
-6 -4 1 382.16 240.56 298.73 o
-5 -4 1 28.19 40.65 83.66 o
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-4 -4 1 1056.12 1133.15 119.24 o
-4 -4 1 1344.99 1088.69 229.84 o
-4 -4 1 353.08 419.47 126.17 o
-3 -4 1 458.90 585.62 114.91 o
-3 -4 1 153.42 53.55 118.11 o
-2 -4 1 832.07 884.45 171.46 o
-2 -4 1 2488.83 2549.51 126.11 o
-1 -4 1 373.22 252.00 66.14 o
-1 -4 1 124.77 134.51 32.64 o
0 -4 1 2369.84 2819.08 117.85 o
0 -4 1 398.68 527.07 60.72 o
1 -4 1 207.80 113.06 65.62 o
1 -4 1 44.19 44.55 36.37 o
2 -4 1 74.84 26.44 38.86 o
2 -4 1 25.02 -0.48 31.36 o
3 -4 1 58.45 180.23 84.06 o
3 -4 1 9.20 35.70 34.96 o
4 -4 1 515.34 452.97 79.78 o
4 -4 1 137.81 212.17 52.64 o
5 -4 1 92.66 131.27 173.63 o
5 -4 1 28.56 91.35 44.68 o
6 -4 1 144.39 204.47 108.91 o
6 -4 1 431.88 488.20 138.05 o
7 -4 1 942.98 608.86 215.94 o
7 -4 1 65.21 159.07 117.83 o
-7 -3 1 139.69 266.38 141.25 o
-7 -3 1 46.70 134.32 128.47 o
-6 -3 1 89.86 172.46 114.64 o
-6 -3 1 268.78 157.74 106.45 o
-5 -3 1 77.53 85.41 94.47 o
-5 -3 1 240.30 197.66 203.32 o
-4 -3 1 2101.85 1859.69 103.36 o
-4 -3 1 702.69 600.66 143.98 o
-3 -3 1 1505.22 932.90 153.31 o
-3 -3 1 4502.29 4190.54 131.57 o
-2 -3 1 0.04 -26.10 37.00 o
-2 -3 1 0.01 12.72 60.85 o
-1 -3 1 7.38 50.26 75.67 o
-1 -3 1 22.08 -35.16 57.13 o
0 -3 1 4676.30 4581.55 107.99 o
0 -3 1 14394.50 14117.28 228.07 o
1 -3 1 5907.90 6569.91 144.96 o
1 -3 1 17671.27 18484.80 244.39 o
2 -3 1 3.79 29.82 23.16 o
2 -3 1 11.34 93.11 70.37 o
3 -3 1 877.78 837.11 67.49 o
3 -3 1 234.74 329.22 53.44 o
4 -3 1 2114.62 2186.01 97.09 o
4 -3 1 7901.53 7878.59 191.84 o
5 -3 1 4697.98 4180.24 149.30 o
5 -3 1 1570.64 1435.02 84.90 o
6 -3 1 11.06 72.98 54.97 o
6 -3 1 34.51 -126.91 105.06 o
7 -3 1 4.56 -58.04 99.69 o
7 -3 1 13.82 -142.74 145.00 o
-7 -2 1 151.77 422.94 145.29 o
-7 -2 1 419.75 212.89 119.73 o
-6 -2 1 188.35 285.69 110.61 o
-6 -2 1 62.97 127.73 101.77 o
-5 -2 1 415.41 514.92 132.65 o
-5 -2 1 1622.85 1602.25 256.29 o
-4 -2 1 214.57 275.66 140.15 o
-3 -2 1 3205.55 2897.19 120.31 o
-3 -2 1 3203.57 2539.58 123.16 o
-2 -2 1 4448.72 4222.60 181.60 o
-1 -2 1 2694.56 2638.90 101.90 o
0 -2 1 3.30 -128.46 98.00 o
1 -2 1 50.43 31.53 23.69 o
1 -2 1 16.86 39.82 19.16 o
1 -2 1 606.02 492.52 51.55 o
2 -2 1 18.83 31.94 37.57 o
2 -2 1 5.04 22.30 19.25 o
3 -2 1 1430.92 1344.85 127.97 o
3 -2 1 478.39 621.82 107.68 o
3 -2 1 4957.00 4831.11 149.41 o
4 -2 1 203.34 220.79 53.36 o
4 -2 1 67.98 52.96 30.73 o
5 -2 1 485.28 506.25 59.49 o
5 -2 1 2293.57 1975.49 110.53 o
6 -2 1 9.28 61.14 53.54 o
6 -2 1 1464.57 955.37 139.36 o
7 -2 1 240.06 182.11 96.05 o
7 -2 1 779.84 624.72 225.98 o
8 -2 1 4.14 33.80 70.70 o
8 -2 1 12.38 122.83 125.06 o
-7 -1 1 166.42 222.11 119.19 o
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-6 -1 1 122.37 162.40 82.43 o
-6 -1 1 421.71 652.69 192.45 o
-5 -1 1 3618.32 3145.85 231.21 o
-5 -1 1 1209.68 993.80 116.88 o
-4 -1 1 649.44 723.45 108.74 o
-4 -1 1 1942.55 1786.81 130.19 o
-3 -1 1 241.35 304.50 66.54 o
-3 -1 1 731.27 587.76 97.78 o
-2 -1 1 3349.70 3171.83 78.20 o
-2 -1 1 954.55 984.30 77.76 o
-1 -1 1 43922.94 43233.54 182.66 o
-1 -1 1 14684.42 14420.03 159.97 o
0 -1 1 1939.76 2015.46 39.17 o
0 -1 1 5802.07 6846.82 119.69 o
0 -1 1 6682.67 6834.65 121.18 o
1 -1 1 630.81 746.09 30.08 o
1 -1 1 2358.85 2484.35 43.94 o
2 -1 1 436.05 458.89 32.71 o
2 -1 1 1304.28 1190.14 47.96 o
3 -1 1 18716.17 16085.72 181.79 o
3 -1 1 9146.97 9531.80 143.02 o
4 -1 1 7545.74 8372.44 257.20 o
4 -1 1 4238.46 4680.01 222.01 o
5 -1 1 948.89 949.94 158.42 o
6 -1 1 414.16 523.71 205.38 o
8 -1 1 253.60 343.04 321.34 o
8 -1 1 37.88 111.72 110.31 o
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0 1 1 982.68 1351.72 39.66 o
0 1 1 328.53 366.54 21.07 o
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1 1 1 5822.96 5441.83 106.06 o
2 1 1 6386.45 5933.84 179.98 o
2 1 1 19200.96 20354.57 340.75 o
2 1 1 19102.66 21081.82 211.49 o
3 1 1 394.75 356.35 102.11 o
3 1 1 70.30 65.67 46.89 o
4 1 1 38.13 101.05 73.95 o
4 1 1 12.75 -30.31 39.37 o
5 1 1 481.48 514.76 97.25 o
5 1 1 1440.15 1530.91 150.71 o
6 1 1 273.28 214.78 101.50 o
6 1 1 1410.61 1754.00 244.93 o
7 1 1 49.82 63.52 98.20 o
7 1 1 149.03 83.32 141.60 o
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-7 2 1 15.31 -100.11 71.87 o
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-6 2 1 418.44 580.31 83.70 o
-5 2 1 2917.44 2165.66 98.03 o
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-3 2 1 2.55 -17.94 21.67 o
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