#------------------------------------------------------------------------------
#$Date: 2020-07-22 08:19:20 +0300 (Wed, 22 Jul 2020) $
#$Revision: 254475 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/35/2243503.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_2243503
_cell_angle_alpha                90.000
_cell_angle_beta                 112.562
_cell_angle_gamma                90.000
_cell_length_a                   14.4669
_cell_length_b                   12.2157
_cell_length_c                   16.9969
_exptl_crystal_F_000             2032.00
_reflns_d_resolution_high        0.8043
_cod_data_source_file            zl2791IIsup8.hkl
_cod_data_source_block           II
_shelx_title                     ' Berry836_a.res in C2/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1002.24
_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'
'-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
2 0 0 69835.71 75677.60 1724.05 o
4 0 0 1004493.12 917966.75 19935.25 o
6 0 0 124155.05 130231.91 2770.05 o
8 0 0 32776.27 36373.85 1076.93 o
10 0 0 575.45 679.21 322.11 o
12 0 0 622.39 785.23 200.97 o
14 0 0 991.30 1003.82 1279.37 o
16 0 0 1399.18 1426.99 255.87 o
1 1 0 11288.63 11795.37 249.51 o
3 1 0 11427.12 12895.15 266.15 o
5 1 0 573.85 659.59 89.77 o
7 1 0 41583.65 43090.14 807.64 o
9 1 0 20979.98 20025.85 619.42 o
11 1 0 38638.82 38164.95 921.14 o
13 1 0 10407.60 10322.22 913.03 o
15 1 0 9092.54 9456.54 728.26 o
0 2 0 63382.94 62755.39 1477.63 o
2 2 0 37999.85 39800.34 721.84 o
4 2 0 4469.43 5598.60 186.30 o
6 2 0 33830.39 36023.24 741.30 o
8 2 0 5766.77 5629.42 330.49 o
10 2 0 221.82 179.57 264.79 o
12 2 0 89.14 134.96 81.56 o
14 2 0 2142.21 2346.73 227.01 o
16 2 0 2277.52 2110.75 467.46 o
1 3 0 6773.30 7464.30 289.08 o
3 3 0 8063.72 8855.80 233.33 o
5 3 0 90076.67 90975.45 1341.59 o
7 3 0 58595.56 59250.88 1119.60 o
9 3 0 99605.86 95840.52 2017.74 o
11 3 0 78467.36 77164.73 1796.61 o
13 3 0 15615.43 15768.90 650.47 o
15 3 0 23509.22 23023.70 861.59 o
0 4 0 656566.75 532613.81 10400.53 o
2 4 0 3697.50 3562.83 188.78 o
4 4 0 254326.77 241563.08 3490.78 o
6 4 0 5184.54 5846.62 245.55 o
8 4 0 36153.32 36983.88 995.55 o
10 4 0 6588.79 6220.24 306.17 o
12 4 0 2079.21 2408.53 232.48 o
14 4 0 3573.28 3614.36 203.73 o
16 4 0 4597.71 4576.22 403.49 o
1 5 0 13874.30 14627.88 444.75 o
3 5 0 24717.86 25303.08 553.27 o
5 5 0 383.51 529.98 138.59 o
7 5 0 17909.52 17424.60 588.69 o
9 5 0 23058.69 22027.84 609.24 o
11 5 0 8885.23 8138.60 418.46 o
13 5 0 27678.67 29589.91 997.53 o
15 5 0 11943.43 11460.98 378.57 o
0 6 0 105055.04 93285.84 2700.95 o
2 6 0 37704.23 36052.94 732.46 o
4 6 0 5015.04 5215.01 273.97 o
6 6 0 48689.51 46302.39 991.68 o
8 6 0 25732.99 24217.62 889.86 o
10 6 0 290.34 343.83 86.27 o
12 6 0 1055.00 1307.61 179.68 o
14 6 0 478.46 584.76 87.73 o
1 7 0 4646.24 4552.70 248.88 o
3 7 0 760.53 552.31 151.70 o
5 7 0 55544.02 54000.80 1196.77 o
7 7 0 11242.16 11516.31 467.24 o
9 7 0 114866.61 113477.67 2173.69 o
11 7 0 45922.62 46232.83 1388.97 o
13 7 0 52791.02 55599.15 1629.17 o
0 8 0 81010.73 77166.58 2136.07 o
2 8 0 13502.95 13259.27 551.77 o
4 8 0 79495.96 77355.84 1966.56 o
6 8 0 22045.66 22122.06 761.27 o
8 8 0 58652.66 58598.63 1161.43 o
10 8 0 2278.86 2555.54 145.27 o
12 8 0 4543.63 4892.29 262.14 o
14 8 0 40.45 19.94 129.26 o
1 9 0 2159.57 2193.61 262.11 o
3 9 0 32174.40 32410.31 1552.72 o
5 9 0 162.95 452.12 154.30 o
7 9 0 39321.46 38264.56 899.24 o
9 9 0 3009.13 3255.64 248.58 o
11 9 0 7463.70 8087.94 288.25 o
13 9 0 15570.05 18779.95 1444.62 o
0 10 0 32796.88 31557.70 859.79 o
2 10 0 10041.02 9397.17 277.23 o
4 10 0 11410.43 10735.70 414.29 o
6 10 0 15179.44 15127.93 430.69 o
8 10 0 254.90 405.70 78.42 o
10 10 0 4556.21 4629.40 199.89 o
12 10 0 309.42 470.40 96.01 o
1 11 0 298.29 373.31 126.95 o
3 11 0 2184.83 2216.22 164.81 o
5 11 0 6754.90 6990.00 255.05 o
7 11 0 3811.97 4207.68 183.30 o
9 11 0 24039.44 26235.07 787.89 o
11 11 0 7985.24 8225.97 367.31 o
0 12 0 59781.55 56398.15 1914.26 o
2 12 0 7737.07 7574.22 254.33 o
4 12 0 79783.29 75826.56 1653.76 o
6 12 0 7407.95 7799.66 237.32 o
8 12 0 60846.17 66060.02 1981.32 o
10 12 0 315.18 285.40 167.30 o
1 13 0 2423.57 2104.22 137.09 o
3 13 0 24005.34 22765.46 567.99 o
5 13 0 737.16 902.03 112.11 o
7 13 0 27756.70 28498.27 1027.43 o
0 14 0 1009.39 1115.41 145.91 o
2 14 0 42.19 154.90 70.31 o
4 14 0 4435.30 4891.08 237.05 o
6 14 0 476.86 541.27 186.99 o
1 15 0 8686.27 9358.29 386.37 o
-15 1 1 20176.92 21320.62 2086.36 o
-13 1 1 549.71 763.26 145.91 o
-11 1 1 31307.34 31066.79 715.49 o
-9 1 1 2326.44 2408.03 218.76 o
-7 1 1 1510.96 1684.32 155.51 o
-5 1 1 170771.75 169487.42 2667.63 o
-3 1 1 4918.53 5199.89 159.27 o
-1 1 1 319690.25 281952.41 5127.43 o
1 1 1 152060.50 151426.94 2660.28 o
3 1 1 30335.28 31660.59 559.36 o
5 1 1 17819.88 16747.98 343.81 o
7 1 1 22748.86 23010.85 571.66 o
9 1 1 26042.79 27352.53 874.78 o
11 1 1 11970.43 11916.55 542.90 o
13 1 1 26996.86 25558.50 1791.11 o
15 1 1 7578.62 8324.41 383.58 o
-16 2 1 1239.24 1355.56 155.75 o
-14 2 1 73245.20 73935.47 2201.16 o
-12 2 1 2977.95 3286.66 379.94 o
-10 2 1 66551.33 66442.59 1600.19 o
-8 2 1 763.87 872.12 148.81 o
-6 2 1 6195.01 6624.37 258.15 o
-4 2 1 714.43 862.65 82.79 o
-2 2 1 39859.45 41464.25 710.36 o
0 2 1 7895.50 8548.21 250.44 o
2 2 1 163632.03 168192.97 2766.61 o
4 2 1 102766.98 104325.12 1601.14 o
6 2 1 346173.62 352538.97 4994.70 o
8 2 1 23116.87 22000.32 663.13 o
10 2 1 295190.00 274712.50 6714.94 o
12 2 1 249.90 427.52 188.88 o
14 2 1 48030.61 47569.06 2087.52 o
16 2 1 105.64 137.78 118.10 o
-15 3 1 3766.25 3972.83 210.32 o
-13 3 1 11961.41 12504.49 392.48 o
-11 3 1 28708.84 27687.20 804.31 o
-9 3 1 67959.90 65929.54 1415.24 o
-7 3 1 77377.18 78237.39 1420.67 o
-5 3 1 173536.28 173504.36 2607.36 o
-3 3 1 100247.57 99026.30 1607.52 o
-1 3 1 141701.70 140571.39 2845.85 o
1 3 1 87328.75 88831.03 1920.48 o
3 3 1 66398.24 69040.16 1106.27 o
5 3 1 278.96 381.60 87.18 o
7 3 1 5431.78 5190.58 266.83 o
9 3 1 5717.60 5539.09 539.86 o
11 3 1 1635.30 1738.68 163.37 o
13 3 1 5873.38 6110.76 277.22 o
15 3 1 9924.12 10093.97 429.75 o
-16 4 1 292.31 308.59 96.72 o
-14 4 1 2056.49 2564.87 176.75 o
-12 4 1 1413.08 1371.13 153.20 o
-10 4 1 3714.42 3850.75 200.37 o
-8 4 1 6722.09 6519.01 295.82 o
-6 4 1 60.27 -11.67 82.35 o
-4 4 1 5512.56 5598.59 231.23 o
-2 4 1 294.50 457.95 91.81 o
0 4 1 17372.63 17790.89 454.33 o
2 4 1 229.87 377.43 80.28 o
4 4 1 53209.21 51996.41 925.54 o
6 4 1 42264.03 41164.26 968.07 o
8 4 1 4203.61 4775.03 287.94 o
10 4 1 37579.92 37201.71 1121.85 o
12 4 1 11584.11 11835.72 604.36 o
14 4 1 453.10 582.01 128.07 o
-15 5 1 9293.41 9454.58 365.01 o
-13 5 1 1830.07 2233.49 172.19 o
-11 5 1 11266.93 11467.13 385.19 o
-9 5 1 8737.48 8341.42 453.33 o
-7 5 1 1599.58 1959.37 182.88 o
-5 5 1 196168.36 188745.09 2827.61 o
-3 5 1 17412.15 17482.73 439.13 o
-1 5 1 313652.91 287119.25 4542.95 o
1 5 1 179732.22 169672.27 2836.92 o
3 5 1 25287.56 25415.51 590.41 o
5 5 1 35200.27 33918.02 833.87 o
7 5 1 6017.02 5776.24 360.01 o
9 5 1 4561.29 4904.38 186.45 o
11 5 1 1561.68 1501.33 178.52 o
13 5 1 4263.24 4583.42 257.77 o
15 5 1 3734.75 3929.32 260.80 o
-14 6 1 86883.39 94516.09 2493.23 o
-12 6 1 467.47 543.12 126.76 o
-10 6 1 59386.92 57532.04 1086.71 o
-8 6 1 3762.13 3128.32 252.61 o
-6 6 1 89.14 384.91 109.11 o
-4 6 1 1235.86 1325.78 128.35 o
-2 6 1 116058.04 113837.30 1801.87 o
0 6 1 364.15 400.55 179.85 o
2 6 1 246734.61 240423.05 3715.49 o
4 6 1 464.86 571.72 96.61 o
6 6 1 231091.69 224192.69 3631.02 o
8 6 1 2873.08 2862.57 128.70 o
10 6 1 154830.80 158942.34 3153.23 o
12 6 1 3548.01 3565.54 185.70 o
14 6 1 39946.31 39311.11 1077.73 o
-15 7 1 544.32 583.01 111.90 o
-13 7 1 5078.97 5200.96 242.19 o
-11 7 1 18248.24 17781.80 469.31 o
-9 7 1 32482.26 29624.54 712.75 o
-7 7 1 108345.72 105081.91 2511.47 o
-5 7 1 5373.67 5560.97 285.66 o
-3 7 1 30222.97 29041.81 753.60 o
-1 7 1 1718.24 2116.80 264.04 o
1 7 1 24412.78 24897.05 694.46 o
3 7 1 58443.55 57942.05 1255.26 o
5 7 1 37425.68 37269.57 1105.35 o
7 7 1 57249.14 56161.38 1033.61 o
9 7 1 1375.67 1667.42 136.84 o
11 7 1 2320.36 2886.02 378.90 o
13 7 1 1170.85 1331.17 206.46 o
-14 8 1 147.97 285.91 64.54 o
-12 8 1 1295.78 1493.57 125.47 o
-10 8 1 1537.97 1507.09 125.73 o
-8 8 1 9109.73 8963.46 331.25 o
-6 8 1 1520.74 1542.68 180.40 o
-4 8 1 2052.17 2081.28 274.92 o
-2 8 1 770.22 1372.21 136.96 o
0 8 1 539.64 875.27 184.78 o
2 8 1 1638.98 1902.85 254.76 o
4 8 1 11929.11 11673.72 465.59 o
6 8 1 2846.67 3097.24 219.31 o
8 8 1 3329.15 3799.81 208.26 o
10 8 1 7723.25 8379.85 311.52 o
12 8 1 6033.58 6337.43 256.71 o
-13 9 1 28912.41 30719.96 801.75 o
-11 9 1 14333.21 15019.57 416.74 o
-9 9 1 72021.01 70456.27 1591.81 o
-7 9 1 50593.64 49916.48 1096.62 o
-5 9 1 90379.88 85745.59 1660.40 o
-3 9 1 92773.90 92575.35 2620.55 o
-1 9 1 45366.29 43297.25 1832.82 o
1 9 1 80358.14 78143.04 1941.76 o
3 9 1 6950.87 7575.66 481.48 o
5 9 1 16663.95 16385.11 390.86 o
7 9 1 2.92 58.45 157.37 o
9 9 1 610.77 637.65 98.61 o
11 9 1 5780.51 5521.64 304.10 o
13 9 1 91.02 178.34 123.02 o
-12 10 1 401.18 448.76 79.24 o
-10 10 1 29359.45 30349.24 805.30 o
-8 10 1 647.00 759.11 88.51 o
-6 10 1 2806.14 2739.66 183.30 o
-4 10 1 1489.27 1520.08 140.74 o
-2 10 1 31519.10 30123.17 662.42 o
0 10 1 1063.34 971.90 74.09 o
2 10 1 98919.24 92361.59 1826.14 o
4 10 1 23.40 188.92 144.06 o
6 10 1 64935.10 66388.48 1364.09 o
8 10 1 5779.81 5954.51 257.26 o
10 10 1 41513.16 46013.29 1252.22 o
12 10 1 19408.31 20144.26 911.29 o
-11 11 1 9088.44 10005.77 377.27 o
-9 11 1 11513.31 11912.12 473.75 o
-7 11 1 33653.24 33818.93 740.92 o
-5 11 1 2468.44 2621.23 157.29 o
-3 11 1 3267.92 3333.15 145.00 o
-1 11 1 1118.37 1107.82 113.53 o
1 11 1 12595.45 12887.61 298.58 o
3 11 1 35730.90 33779.93 818.99 o
5 11 1 13594.72 14237.25 368.04 o
7 11 1 25487.10 27208.98 688.73 o
9 11 1 4144.56 4963.47 254.07 o
-10 12 1 5230.14 5840.25 293.31 o
-8 12 1 29896.89 30680.75 838.19 o
-6 12 1 1361.90 1432.20 92.13 o
-4 12 1 26179.48 25116.21 615.70 o
-2 12 1 1895.42 1817.92 110.29 o
0 12 1 5145.63 5476.93 235.47 o
2 12 1 1000.92 1053.13 106.06 o
4 12 1 3789.84 3518.53 210.14 o
6 12 1 290.70 504.20 91.85 o
8 12 1 4877.07 5416.72 258.52 o
-7 13 1 67402.13 69359.91 2334.98 o
-5 13 1 25583.69 25540.80 866.24 o
-3 13 1 63799.62 63306.26 1440.14 o
-1 13 1 8090.73 7776.86 291.70 o
1 13 1 9811.48 9126.80 284.85 o
3 13 1 6919.72 6912.00 257.96 o
5 13 1 2675.15 3048.45 174.10 o
7 13 1 637.82 1132.55 315.66 o
-6 14 1 4167.59 4389.24 433.02 o
-4 14 1 6428.21 6085.69 296.87 o
-2 14 1 2241.95 2469.58 126.89 o
0 14 1 450.30 563.29 124.23 o
2 14 1 36500.63 36537.39 927.80 o
4 14 1 2854.78 3421.31 251.42 o
-1 15 1 20861.91 21553.63 783.94 o
1 15 1 73.99 92.28 84.85 o
-16 0 2 108862.38 119258.05 4950.54 o
-14 0 2 855.41 1170.47 186.83 o
-12 0 2 168925.75 166846.75 4125.89 o
-10 0 2 276.13 574.49 215.03 o
-8 0 2 197328.55 202100.12 4241.50 o
-6 0 2 102628.34 101760.19 2323.57 o
-4 0 2 651732.12 576755.75 13603.60 o
-2 0 2 85749.59 86779.52 2591.80 o
0 0 2 360637.78 277981.03 7295.27 o
2 0 2 114627.10 116952.66 2508.52 o
4 0 2 1518.48 1715.58 180.15 o
6 0 2 84408.27 90962.77 2054.55 o
8 0 2 153836.80 146169.33 4024.92 o
10 0 2 14729.54 14749.41 556.29 o
12 0 2 123597.67 116972.51 4706.21 o
14 0 2 10320.64 11257.51 895.56 o
-15 1 2 13341.79 13763.89 430.72 o
-13 1 2 37.90 502.96 114.45 o
-11 1 2 3263.02 3190.99 242.04 o
-9 1 2 5844.60 5778.76 302.74 o
-7 1 2 6997.91 7043.68 269.92 o
-5 1 2 21864.46 21115.06 437.14 o
-3 1 2 4223.99 4786.54 153.60 o
-1 1 2 12917.55 13523.65 378.94 o
1 1 2 29237.33 30438.37 1013.54 o
3 1 2 2089.45 2657.64 141.84 o
5 1 2 173104.58 174944.17 2263.88 o
7 1 2 5018.55 5253.74 315.30 o
9 1 2 87042.27 81349.05 2010.41 o
11 1 2 7728.54 7178.60 625.22 o
13 1 2 6644.10 7043.07 399.69 o
15 1 2 263.52 344.45 114.66 o
-16 2 2 780.31 1015.78 121.69 o
-14 2 2 933.98 701.02 224.50 o
-12 2 2 1807.28 1761.09 183.95 o
-10 2 2 12.28 204.55 169.29 o
-8 2 2 19516.97 18958.28 564.46 o
-6 2 2 23136.30 23414.08 538.94 o
-4 2 2 473.78 555.13 58.88 o
-2 2 2 9660.92 10135.77 253.27 o
0 2 2 78148.92 78990.81 1410.46 o
2 2 2 1875.55 1891.03 136.49 o
4 2 2 29837.52 31388.00 643.42 o
6 2 2 2751.69 2727.97 204.39 o
8 2 2 1305.29 1431.15 262.91 o
10 2 2 308.29 630.77 207.06 o
12 2 2 700.09 773.76 115.59 o
14 2 2 590.94 779.42 299.69 o
-15 3 2 5582.97 6511.06 292.98 o
-13 3 2 11035.81 11674.31 471.33 o
-11 3 2 1246.33 1396.41 124.19 o
-9 3 2 1221.67 1392.27 202.45 o
-7 3 2 53045.62 53750.92 1079.62 o
-5 3 2 83342.21 83678.95 1392.10 o
-3 3 2 78375.63 81332.88 1388.63 o
-1 3 2 58319.48 61701.43 1431.86 o
1 3 2 157805.58 155684.12 2597.84 o
3 3 2 2331.73 2964.22 152.61 o
5 3 2 308198.56 292411.78 4612.28 o
7 3 2 34876.82 33967.57 879.42 o
9 3 2 95345.27 86729.38 2779.54 o
11 3 2 61778.28 62176.79 1419.49 o
13 3 2 273.64 465.57 126.81 o
15 3 2 1542.26 1614.83 126.81 o
-16 4 2 56728.22 60767.76 2215.80 o
-14 4 2 112.85 196.11 94.59 o
-12 4 2 106667.53 106411.93 2207.14 o
-10 4 2 2716.44 3089.52 189.01 o
-8 4 2 116647.17 114541.38 2085.34 o
-6 4 2 35810.02 34732.90 760.49 o
-4 4 2 211427.16 205473.77 3261.41 o
-2 4 2 30091.94 30413.34 653.70 o
0 4 2 107881.41 107112.37 1828.74 o
2 4 2 11969.73 12892.95 338.38 o
4 4 2 2653.56 2605.80 204.06 o
6 4 2 6670.40 6814.13 352.85 o
8 4 2 95913.80 90618.59 2188.35 o
10 4 2 4315.82 4631.43 192.95 o
12 4 2 87331.44 85659.57 2702.93 o
14 4 2 10452.16 10410.45 559.90 o
-15 5 2 13417.29 14214.15 454.43 o
-13 5 2 67.17 33.73 167.32 o
-11 5 2 10966.25 11045.92 517.58 o
-9 5 2 1898.08 2131.68 212.95 o
-7 5 2 1600.58 1580.89 148.10 o
-5 5 2 13640.26 14375.38 417.46 o
-3 5 2 55111.33 51926.48 969.17 o
-1 5 2 65594.30 64408.63 1148.91 o
1 5 2 85569.88 85817.80 1425.58 o
3 5 2 55038.73 52906.03 1007.20 o
5 5 2 26832.39 26628.15 839.89 o
7 5 2 878.19 649.43 151.23 o
9 5 2 10189.67 10580.22 460.26 o
11 5 2 4031.12 4102.29 227.69 o
13 5 2 15122.29 14475.53 472.94 o
-14 6 2 6245.49 6547.83 252.34 o
-12 6 2 259.02 279.78 139.95 o
-10 6 2 11879.69 11885.02 321.04 o
-8 6 2 18897.75 18234.86 734.90 o
-6 6 2 8979.53 9083.23 321.58 o
-4 6 2 1598.16 1753.65 132.93 o
-2 6 2 3530.89 3199.40 174.47 o
0 6 2 56495.65 54476.04 1206.66 o
2 6 2 47825.30 49029.52 1023.81 o
4 6 2 2007.32 1706.57 154.55 o
6 6 2 44403.26 43577.93 1070.29 o
8 6 2 4160.51 4517.29 219.34 o
10 6 2 2351.95 2293.94 143.03 o
12 6 2 817.48 980.75 100.75 o
14 6 2 56.78 78.53 61.87 o
-15 7 2 11898.65 12382.58 439.24 o
-13 7 2 15434.29 16359.58 480.84 o
-11 7 2 400.12 325.21 237.95 o
-9 7 2 4223.38 4321.88 211.30 o
-7 7 2 58674.71 55722.16 1410.31 o
-5 7 2 13066.62 12806.18 450.42 o
-3 7 2 91498.35 86277.14 1699.60 o
-1 7 2 33792.07 31919.16 802.02 o
1 7 2 112802.55 115273.20 2196.98 o
3 7 2 15771.25 15910.39 585.38 o
5 7 2 166940.12 155129.33 3131.33 o
7 7 2 22335.78 22170.41 552.51 o
9 7 2 65914.84 70131.92 1629.79 o
11 7 2 21032.53 21369.36 594.56 o
13 7 2 935.89 1138.02 91.17 o
-14 8 2 10783.31 11696.81 342.96 o
-12 8 2 58289.61 61041.00 1657.57 o
-10 8 2 23369.59 23463.13 634.10 o
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