#------------------------------------------------------------------------------
#$Date: 2021-09-23 04:37:01 +0300 (Thu, 23 Sep 2021) $
#$Revision: 269252 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/88/2108890.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_2108890
_cell_angle_alpha                90.000
_cell_angle_beta                 101.859
_cell_angle_gamma                90.000
_cell_length_a                   14.3330
_cell_length_b                   17.1049
_cell_length_c                   16.3502
_exptl_crystal_F_000             2112.00
_reflns_d_resolution_high        0.7886
_cod_data_source_file            lo50943sup4.hkl
_cod_data_source_block           3
_shelx_title                     ' 11_a.res in Cc'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            549.75
_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 -20 2506.81 1749.90 628.74 o
2 0 -20 688.15 -187.41 317.39 o
4 0 -20 2849.76 2572.10 392.96 o
1 1 -20 664.25 971.74 302.52 o
3 1 -20 686.31 272.94 196.52 o
5 1 -20 4892.37 5098.86 716.40 o
0 2 -20 611.94 -174.26 385.41 o
2 2 -20 30.54 -63.48 374.83 o
4 2 -20 985.33 450.40 420.17 o
1 3 -20 298.95 249.85 103.60 o
3 3 -20 674.72 429.24 495.74 o
5 3 -20 471.67 175.32 389.94 o
7 3 -20 405.70 281.12 392.96 o
2 4 -20 271.06 414.85 146.61 o
4 4 -20 850.71 666.92 302.28 o
6 4 -20 5318.47 3947.47 813.13 o
3 5 -20 1004.89 839.27 148.14 o
5 5 -20 3566.45 3728.66 265.48 o
-3 1 -19 291.68 110.22 436.73 o
-1 1 -19 627.51 568.26 365.84 o
1 1 -19 1298.89 1097.68 338.29 o
3 1 -19 3549.52 3500.99 424.87 o
5 1 -19 819.74 661.99 317.39 o
-2 2 -19 993.20 1132.53 172.56 o
0 2 -19 2022.37 2007.29 411.07 o
2 2 -19 8845.11 8218.08 1018.68 o
4 2 -19 2732.54 2227.50 592.47 o
6 2 -19 1478.08 1447.92 423.19 o
8 2 -19 4036.64 4524.83 622.70 o
10 2 -19 437.42 21.16 359.71 o
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5 3 -19 2903.78 2402.82 674.08 o
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9 3 -19 2477.65 2024.97 535.04 o
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2 4 -19 2612.69 2559.95 318.91 o
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1 5 -19 45.58 -7.93 68.83 o
3 5 -19 3346.09 3006.45 402.03 o
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7 5 -19 409.23 476.48 100.06 o
9 5 -19 1247.08 1311.89 598.51 o
0 6 -19 269.99 162.49 145.09 o
2 6 -19 821.48 833.84 146.63 o
4 6 -19 2468.19 2422.16 516.75 o
6 6 -19 20.16 -9.78 60.12 o
8 6 -19 728.15 627.29 157.19 o
1 7 -19 93.94 199.46 350.64 o
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5 7 -19 96.58 -33.18 320.42 o
7 7 -19 790.41 643.53 370.29 o
2 8 -19 1031.56 1213.29 178.80 o
4 8 -19 1920.14 1766.12 309.69 o
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2 0 -18 4976.49 4566.84 677.11 o
4 0 -18 231.74 355.29 253.92 o
6 0 -18 7251.00 7127.15 501.78 o
-5 1 -18 2107.81 800.85 516.44 o
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-1 1 -18 1718.90 1131.29 403.15 o
1 1 -18 1176.49 1228.98 353.16 o
3 1 -18 991.21 718.50 231.06 o
5 1 -18 5039.15 5110.95 634.79 o
7 1 -18 1192.53 976.36 293.21 o
9 1 -18 1951.53 1849.65 435.28 o
11 1 -18 4331.12 3986.77 849.41 o
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0 2 -18 568.59 535.57 105.86 o
2 2 -18 1007.37 1180.75 125.72 o
4 2 -18 1089.42 1127.50 365.76 o
6 2 -18 1283.51 1662.24 450.40 o
8 2 -18 586.00 510.85 302.28 o
10 2 -18 900.19 819.18 371.80 o
-5 3 -18 48.98 202.29 272.22 o
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1 3 -18 522.29 518.41 100.16 o
3 3 -18 2395.40 2262.54 312.86 o
5 3 -18 2731.15 2786.87 239.37 o
7 3 -18 244.87 556.19 320.42 o
9 3 -18 543.43 1033.80 414.12 o
11 3 -18 559.26 522.94 411.10 o
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8 4 -18 207.97 81.62 323.44 o
10 4 -18 300.59 269.03 374.83 o
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1 5 -18 1803.28 1750.39 193.51 o
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5 5 -18 6297.48 6552.11 383.90 o
7 5 -18 1052.06 1003.17 135.22 o
9 5 -18 320.97 513.88 411.10 o
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0 6 -18 499.25 553.04 190.44 o
2 6 -18 953.62 991.49 145.39 o
4 6 -18 927.48 830.07 139.87 o
6 6 -18 2561.83 2435.37 206.33 o
8 6 -18 347.25 343.44 194.97 o
10 6 -18 2668.64 1949.40 795.00 o
-3 7 -18 2848.55 2403.10 472.24 o
-1 7 -18 396.09 369.75 118.01 o
1 7 -18 112.07 55.29 90.68 o
3 7 -18 2057.21 1938.06 485.16 o
5 7 -18 1644.89 1646.95 235.63 o
7 7 -18 61.78 67.98 142.07 o
9 7 -18 2240.32 2237.28 374.83 o
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0 8 -18 110.73 29.55 81.30 o
2 8 -18 1197.77 1178.63 163.81 o
4 8 -18 5165.01 4455.10 1020.04 o
6 8 -18 1025.70 1157.61 147.21 o
8 8 -18 251.06 258.45 97.82 o
-1 9 -18 1560.41 1721.63 386.77 o
1 9 -18 528.85 583.97 302.28 o
3 9 -18 3892.17 3962.67 294.42 o
5 9 -18 5039.03 5171.07 819.03 o
7 9 -18 1142.07 1173.46 153.01 o
2 10 -18 1909.59 1824.52 312.71 o
4 10 -18 2292.64 2327.47 447.37 o
6 10 -18 4271.06 4179.74 927.85 o
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-3 1 -17 2383.89 2600.61 218.08 o
-1 1 -17 4965.14 4762.61 292.26 o
1 1 -17 2930.18 2907.38 194.25 o
3 1 -17 695.43 443.70 146.42 o
5 1 -17 2476.48 2717.19 504.81 o
7 1 -17 6857.61 6232.41 661.99 o
9 1 -17 2089.25 2442.12 462.49 o
11 1 -17 125.88 42.32 287.17 o
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-4 2 -17 76.46 219.02 190.62 o
-2 2 -17 13463.21 13224.08 595.64 o
0 2 -17 1281.45 1242.88 139.07 o
2 2 -17 11977.91 12120.39 444.21 o
4 2 -17 6866.77 6972.99 462.49 o
6 2 -17 8113.28 7822.09 870.57 o
8 2 -17 14952.97 15828.88 1254.46 o
10 2 -17 613.21 229.73 296.23 o
12 2 -17 236.22 389.94 368.78 o
-5 3 -17 707.95 681.45 269.65 o
-3 3 -17 1995.53 2041.89 194.05 o
-1 3 -17 4507.73 4720.57 436.58 o
1 3 -17 13045.28 13135.11 468.04 o
3 3 -17 11305.24 12286.46 1230.28 o
5 3 -17 10696.23 10406.92 529.77 o
7 3 -17 12027.69 11627.49 1124.48 o
9 3 -17 11625.71 11228.49 1115.41 o
11 3 -17 478.20 538.06 386.92 o
-6 4 -17 53.23 132.48 318.60 o
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-2 4 -17 2557.01 2851.56 565.92 o
0 4 -17 248.25 304.12 103.31 o
2 4 -17 11688.29 11811.76 569.63 o
4 4 -17 6547.56 6428.00 370.45 o
6 4 -17 2424.79 2169.78 536.40 o
8 4 -17 10576.86 9795.98 1628.99 o
10 4 -17 1781.58 1901.04 577.35 o
12 4 -17 66.62 284.14 456.44 o
-5 5 -17 861.77 924.39 167.27 o
-3 5 -17 1624.66 1665.75 277.98 o
-1 5 -17 201.22 8.26 77.94 o
1 5 -17 388.42 486.48 111.16 o
3 5 -17 6625.24 6352.11 371.23 o
5 5 -17 1611.05 1699.02 356.54 o
7 5 -17 599.98 526.60 181.37 o
9 5 -17 2886.02 2892.52 740.59 o
11 5 -17 899.29 1538.30 921.95 o
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0 6 -17 1658.39 2030.83 209.82 o
2 6 -17 1190.06 1217.17 165.51 o
4 6 -17 4862.85 4808.23 628.59 o
6 6 -17 899.17 960.54 131.39 o
8 6 -17 3768.05 3883.45 358.20 o
10 6 -17 2597.81 2481.41 737.56 o
-5 7 -17 212.97 8.00 227.53 o
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-1 7 -17 2638.21 2425.20 373.56 o
1 7 -17 1376.97 1168.59 208.57 o
3 7 -17 21.29 -28.56 155.67 o
5 7 -17 3011.16 3355.65 367.27 o
7 7 -17 3087.80 3308.84 745.12 o
9 7 -17 2992.88 2878.66 207.36 o
11 7 -17 694.71 684.40 137.83 o
-4 8 -17 50.80 147.95 416.76 o
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0 8 -17 207.18 161.10 88.83 o
2 8 -17 2334.73 2442.94 601.39 o
4 8 -17 3487.58 3363.37 260.43 o
6 8 -17 93.71 137.92 179.86 o
8 8 -17 4185.81 3962.92 265.95 o
10 8 -17 296.77 316.34 63.22 o
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-1 9 -17 693.92 859.93 150.71 o
1 9 -17 413.56 391.35 225.20 o
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5 9 -17 142.06 646.88 492.72 o
7 9 -17 292.21 275.84 281.12 o
9 9 -17 2577.08 2507.34 516.90 o
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0 10 -17 1539.27 1761.99 211.60 o
2 10 -17 2193.04 2107.39 246.36 o
4 10 -17 2898.25 2787.02 308.33 o
6 10 -17 1881.12 1964.12 649.75 o
8 10 -17 303.08 268.32 361.22 o
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12 4 -16 446.29 309.94 109.34 o
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-4 4 20 1068.69 1142.12 74.99 o
-2 4 20 366.31 360.15 44.30 o
-5 5 20 3246.56 3331.89 134.47 o
-3 5 20 1212.26 1231.29 86.37 o