#------------------------------------------------------------------------------
#$Date: 2020-09-25 08:57:49 +0300 (Fri, 25 Sep 2020) $
#$Revision: 256762 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/86/2108667.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_2108667
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   14.4673
_cell_length_b                   14.4673
_cell_length_c                   19.9186
_exptl_crystal_F_000             3354.64
_reflns_d_resolution_high        0.6476
_cod_data_source_file            je5031IVsup5.hkl
_cod_data_source_block           IV
_shelx_title                     ' sana038 in R-3c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1032.47
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
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 2 0 15386.36 15489.12 331.92 o
0 3 0 71131.62 68521.34 883.75 o
-2 4 0 474027.97 483461.41 5522.56 o
-1 5 0 270353.69 259704.58 2396.86 o
-3 6 0 160820.89 154587.75 2176.10 o
0 6 0 787445.06 773343.50 8881.64 o
-2 7 0 843.11 1000.30 125.09 o
-4 8 0 12315.86 11871.06 498.48 o
-1 8 0 1599.33 1703.70 163.73 o
-3 9 0 32098.14 31538.49 604.05 o
0 9 0 1989.98 2155.43 288.47 o
-5 10 0 935869.31 915684.06 15088.46 o
-2 10 0 79082.16 77755.49 1256.60 o
-4 11 0 34905.63 34413.40 641.19 o
-1 11 0 129063.78 129153.34 1561.80 o
-6 12 0 177802.23 174939.95 2765.29 o
-3 12 0 33560.34 32161.31 686.09 o
0 12 0 139031.12 131491.09 2585.44 o
-5 13 0 6395.47 6053.55 333.37 o
-2 13 0 877.42 1074.61 244.69 o
-7 14 0 69689.19 68023.39 1681.94 o
-4 14 0 6459.16 6416.26 451.12 o
-1 14 0 19291.49 19929.96 742.12 o
-6 15 0 2213.22 1959.72 295.72 o
-3 15 0 5599.66 6136.44 494.07 o
0 15 0 67794.84 68946.34 2443.69 o
-8 16 0 5174.96 4368.82 899.51 o
-5 16 0 169959.84 171685.42 2512.48 o
-2 16 0 4117.49 4696.05 479.49 o
-7 17 0 23173.62 23521.78 1038.42 o
-4 17 0 4045.05 4687.72 523.95 o
-1 17 0 71099.80 72784.95 1784.34 o
-9 18 0 11761.73 12861.59 1247.82 o
-6 18 0 16595.10 15911.31 791.12 o
-3 18 0 19899.64 20857.05 967.31 o
0 18 0 1381.00 1748.62 693.92 o
-8 19 0 12116.26 12530.40 916.67 o
-5 19 0 15932.21 16730.50 1118.06 o
-2 19 0 5656.03 5139.02 962.16 o
-10 20 0 22443.56 23917.84 1630.34 o
-7 20 0 22866.99 23404.18 1151.63 o
-4 20 0 685.95 421.10 517.04 o
-9 21 0 3970.12 4077.07 601.63 o
-6 21 0 10592.90 10169.60 948.63 o
-11 22 0 67097.03 66342.09 3666.36 o
-8 22 0 1080.48 215.35 425.94 o
-2 3 1 251937.72 252227.78 2004.12 o
-1 4 1 282387.81 278751.84 2405.76 o
-3 5 1 168756.69 166066.08 1533.85 o
-5 6 1 193.07 260.54 95.73 o
-2 6 1 76201.01 75970.02 832.86 o
-4 7 1 150225.41 143047.00 1480.53 o
-1 7 1 4109.29 4326.32 208.16 o
-6 8 1 29903.84 28959.48 506.43 o
-3 8 1 201152.09 198810.70 1995.38 o
-8 9 1 164614.55 163254.09 1764.76 o
-5 9 1 29357.28 28776.58 522.28 o
-2 9 1 285897.84 283834.34 2775.00 o
-7 10 1 162758.02 158928.94 1745.28 o
-4 10 1 50708.58 50351.41 765.47 o
-1 10 1 10952.55 11084.72 467.75 o
-9 11 1 6879.01 7074.02 330.54 o
-6 11 1 24029.02 23827.59 520.30 o
-3 11 1 3156.10 2931.69 232.52 o
-11 12 1 574.04 476.30 169.22 o
-8 12 1 113651.62 112642.34 1481.95 o
-5 12 1 148.02 98.38 136.03 o
-2 12 1 87819.54 88711.80 1288.26 o
-10 13 1 53274.86 54350.61 1026.41 o
-7 13 1 2428.70 2586.38 258.59 o
-4 13 1 120205.84 119493.62 1602.17 o
-1 13 1 5573.29 5828.55 425.44 o
-12 14 1 82610.51 82377.48 1573.83 o
-9 14 1 22516.92 23698.06 673.88 o
-6 14 1 29610.70 30541.98 761.63 o
-3 14 1 3149.24 3169.13 341.39 o
-14 15 1 44662.12 46434.48 1197.14 o
-11 15 1 2463.52 2375.42 336.46 o
-8 15 1 128572.04 127341.66 1851.60 o
-5 15 1 484.32 249.54 221.81 o
-2 15 1 100229.05 103185.23 1888.26 o
-13 16 1 19591.55 21009.77 821.14 o
-10 16 1 2973.53 2461.72 382.97 o
-7 16 1 763.40 812.47 259.98 o
-4 16 1 33004.98 34435.50 1067.28 o
-1 16 1 4721.50 5081.64 510.72 o
-15 17 1 7961.10 10116.46 757.49 o
-12 17 1 9807.45 10386.10 852.88 o
-9 17 1 2077.64 2757.44 424.54 o
-6 17 1 4216.41 4825.09 488.34 o
-3 17 1 28825.52 30734.86 1032.51 o
-17 18 1 6033.60 5427.61 690.44 o
-14 18 1 61267.68 63199.04 1808.29 o
-11 18 1 38.10 -285.59 286.76 o
-8 18 1 72879.07 72706.35 2040.72 o
-5 18 1 1318.97 947.74 353.31 o
-2 18 1 28477.24 28883.94 1145.85 o
-16 19 1 2906.06 2182.06 501.21 o
-13 19 1 14416.57 15298.22 889.72 o
-10 19 1 32343.01 34598.04 1295.63 o
-7 19 1 18770.29 19598.78 1018.91 o
-4 19 1 20806.21 20077.05 1053.95 o
-1 19 1 9928.85 10170.41 1069.78 o
-18 20 1 23658.15 22104.35 1323.70 o
-15 20 1 4996.66 4404.35 942.37 o
-12 20 1 45860.43 46357.00 1459.77 o
-9 20 1 13808.43 13290.14 959.81 o
-6 20 1 3150.28 2653.97 559.06 o
-3 20 1 19609.97 21248.62 2092.30 o
-14 21 1 28750.68 28656.51 1345.44 o
-11 21 1 3852.11 3186.52 660.14 o
-8 21 1 32062.76 33216.87 1392.37 o
-5 21 1 2403.47 1908.91 518.49 o
-13 22 1 5532.30 5118.91 723.03 o
-10 22 1 2145.90 1759.75 532.27 o
0 1 2 110886.95 114840.51 1463.91 o
-2 2 2 4067.62 4530.65 155.90 o
-1 3 2 67213.34 69492.25 647.22 o
-3 4 2 3056.03 3663.56 135.08 o
0 4 2 91.93 55.34 98.89 o
-2 5 2 188.84 293.83 78.41 o
-4 6 2 2.42 -48.16 80.30 o
-1 6 2 97813.12 99748.97 968.03 o
-6 7 2 2096.24 1958.42 160.58 o
-3 7 2 12530.39 12474.09 286.38 o
0 7 2 40366.34 38697.42 840.76 o
-8 8 2 1509.73 1398.81 239.95 o
-5 8 2 58330.77 56940.61 735.24 o
-2 8 2 2391.52 2432.67 176.34 o
-7 9 2 34957.47 34756.77 626.37 o
-4 9 2 90199.09 88730.12 1081.43 o
-1 9 2 32667.05 32951.97 584.74 o
-9 10 2 51521.62 51800.58 814.01 o
-6 10 2 43632.54 42259.39 720.87 o
-3 10 2 9209.79 9841.78 328.72 o
0 10 2 13490.87 12739.36 555.05 o
-11 11 2 63885.87 63476.96 1553.51 o
-8 11 2 44206.75 43213.13 741.08 o
-5 11 2 72826.38 70538.51 987.80 o
-2 11 2 5591.83 5354.28 304.38 o
-10 12 2 9366.83 9808.47 408.24 o
-7 12 2 6615.68 6267.40 327.08 o
-4 12 2 19113.42 19272.14 494.36 o
-1 12 2 7839.84 7761.10 421.57 o
-12 13 2 1.57 -130.95 187.71 o
-9 13 2 93.32 9.15 156.76 o
-6 13 2 14409.16 13692.16 493.62 o
-3 13 2 5533.97 5337.80 372.77 o
0 13 2 27342.23 26447.57 1075.19 o
-14 14 2 103519.99 104346.02 2682.84 o
-11 14 2 16753.69 17092.13 682.67 o
-8 14 2 7531.59 7790.61 441.48 o
-5 14 2 5920.20 5493.45 390.42 o
-2 14 2 302.57 372.18 224.36 o
-13 15 2 6804.67 7123.04 624.90 o
-10 15 2 458.18 506.12 296.79 o
-7 15 2 11301.91 11840.39 657.58 o
-4 15 2 17070.06 16050.03 642.38 o
-1 15 2 267.46 546.94 263.49 o
-15 16 2 3721.20 3776.95 488.07 o
-12 16 2 3411.76 3062.92 513.77 o
-9 16 2 1034.72 937.77 292.72 o
-6 16 2 6230.85 5507.83 453.54 o
-3 16 2 31.87 176.43 260.78 o
0 16 2 10545.15 10059.37 1103.64 o
-17 17 2 12666.74 14831.12 1340.15 o
-14 17 2 3509.21 3381.48 500.78 o
-11 17 2 4426.17 4812.64 516.85 o
-8 17 2 5.20 15.76 262.12 o
-5 17 2 1146.48 730.79 291.74 o
-2 17 2 10332.38 10864.76 700.07 o
-16 18 2 14841.03 16486.07 1083.03 o
-13 18 2 31575.24 29337.42 1105.62 o
-10 18 2 1719.96 1568.75 384.53 o
-7 18 2 7049.12 7067.62 634.54 o
-4 18 2 4376.71 4104.79 582.98 o
-1 18 2 38.68 367.05 365.04 o
-18 19 2 7822.18 9331.38 869.63 o
-15 19 2 1357.13 1028.36 422.33 o
-12 19 2 2416.96 2407.00 471.76 o
-9 19 2 15250.74 16446.94 921.02 o
-6 19 2 18298.35 19235.19 1011.84 o
-3 19 2 4312.97 4424.03 649.59 o
0 19 2 19237.62 18003.51 1894.10 o
-17 20 2 14892.91 16127.25 1077.24 o
-14 20 2 13461.85 15272.68 1001.44 o
-11 20 2 8927.46 7958.20 790.71 o
-8 20 2 2234.59 2024.08 491.58 o
-5 20 2 17749.55 19059.97 1069.00 o
-2 20 2 2.31 -153.37 484.46 o
-16 21 2 2572.17 1968.63 596.68 o
-13 21 2 5339.05 4560.42 630.47 o
-10 21 2 11564.90 11126.14 883.40 o
-7 21 2 3250.84 1739.18 799.23 o
-12 22 2 1774.26 1779.50 437.59 o
-9 22 2 472.72 90.46 432.63 o
-1 2 3 54849.68 55934.59 526.11 o
-2 4 3 343687.22 346584.19 2742.09 o
-4 5 3 2601.01 2943.19 184.76 o
-1 5 3 45754.27 46160.18 528.48 o
-3 6 3 3884.74 3722.33 159.41 o
-5 7 3 67649.79 67267.20 831.28 o
-2 7 3 3093.27 3268.65 165.54 o
-7 8 3 43398.45 43829.38 636.93 o
-4 8 3 133269.91 131819.70 1418.87 o
-1 8 3 62540.10 61140.32 849.97 o
-6 9 3 82428.99 81598.23 1025.55 o
-3 9 3 8728.54 7915.36 364.28 o
-8 10 3 7115.35 7409.86 311.76 o
-5 10 3 9417.28 9782.13 326.47 o
-2 10 3 44117.11 44951.81 725.00 o
-10 11 3 17661.55 17945.12 505.52 o
-7 11 3 4602.61 5209.92 284.40 o
-4 11 3 46289.62 46680.81 759.15 o
-1 11 3 10150.18 10527.96 400.31 o
-9 12 3 34675.25 34013.45 714.65 o
-6 12 3 11389.21 11827.75 426.93 o
-3 12 3 21906.43 22472.12 573.69 o
-11 13 3 860.58 831.41 212.36 o
-8 13 3 615.28 548.41 183.60 o
-5 13 3 2150.74 2347.85 255.06 o
-2 13 3 36310.10 34989.02 884.34 o
-13 14 3 7870.10 8303.95 570.64 o
-10 14 3 6566.13 6999.21 459.83 o
-7 14 3 36063.21 35714.17 826.08 o
-4 14 3 16579.92 16465.18 580.28 o
-1 14 3 16818.66 18387.65 727.17 o
-12 15 3 41997.16 42179.79 1050.68 o
-9 15 3 3707.62 3781.30 397.82 o
-6 15 3 7600.47 8054.08 522.07 o
-3 15 3 14949.71 16012.11 649.92 o
-14 16 3 1209.23 848.52 350.53 o
-11 16 3 2072.60 2155.89 430.78 o
-8 16 3 362.85 421.18 250.99 o
-5 16 3 263.35 277.99 248.69 o
-2 16 3 7242.56 7258.97 584.59 o
-16 17 3 9477.15 8161.80 851.64 o
-13 17 3 2919.84 2799.98 410.42 o
-10 17 3 22371.53 22859.79 997.45 o
-7 17 3 25944.90 24653.87 889.21 o
-4 17 3 20751.78 21791.02 860.03 o
-1 17 3 27747.13 28632.00 1168.31 o
-15 18 3 15671.44 15101.60 960.71 o
-12 18 3 2712.00 1495.49 403.15 o
-9 18 3 21412.02 22822.64 1060.14 o
-6 18 3 678.04 499.14 353.44 o
-3 18 3 2225.78 1586.18 419.04 o
-17 19 3 121.11 -183.90 377.94 o
-14 19 3 1966.74 1833.57 447.91 o
-11 19 3 942.20 913.45 364.53 o
-8 19 3 233.71 314.01 346.90 o
-5 19 3 3707.56 3310.86 560.90 o
-2 19 3 1776.05 1500.63 485.91 o
-16 20 3 1126.59 902.47 490.48 o
-13 20 3 2563.86 2547.97 489.91 o
-10 20 3 1214.07 774.76 397.54 o
-7 20 3 11459.31 10804.03 913.30 o
-4 20 3 5881.46 6254.36 750.67 o
-15 21 3 911.97 -99.31 439.69 o
-12 21 3 27111.69 30129.30 1319.95 o
-9 21 3 4383.05 3600.05 612.78 o
-6 21 3 15152.52 16955.39 1084.08 o
-11 22 3 915.48 805.52 476.93 o
-1 1 4 241399.03 241803.70 2582.67 o
0 2 4 42590.03 43405.17 573.39 o
-2 3 4 258883.11 262740.19 2025.12 o
-4 4 4 88460.86 97939.60 1347.18 o
-1 4 4 106820.12 108694.10 996.51 o
-3 5 4 95084.92 95990.40 931.26 o
-5 6 4 494618.00 503671.16 4328.45 o
-2 6 4 1187.89 1371.08 113.42 o
-7 7 4 11545.02 12220.89 417.57 o
-4 7 4 164636.75 161764.19 1566.76 o
-1 7 4 74497.96 74884.15 828.56 o
-6 8 4 74166.17 75330.08 900.73 o
-3 8 4 152180.39 151592.22 1523.82 o
0 8 4 59043.74 56242.05 1111.60 o
-8 9 4 216626.38 219701.36 2163.65 o
-5 9 4 18222.64 18152.59 387.82 o
-2 9 4 105540.45 104200.85 1176.57 o
-10 10 4 16804.80 16902.56 595.61 o
-7 10 4 18348.82 18716.62 442.78 o
-4 10 4 8259.81 8563.98 309.64 o
-1 10 4 952.26 952.91 160.20 o
-9 11 4 1096.44 1233.16 183.37 o
-6 11 4 272120.88 271582.97 2629.59 o
-3 11 4 36000.31 35721.84 697.11 o
0 11 4 243591.05 248263.20 4121.07 o
-11 12 4 100020.63 98871.98 1422.68 o
-8 12 4 63809.34 61972.62 1007.86 o
-5 12 4 60060.46 61451.14 1053.15 o
-2 12 4 126.27 93.95 163.55 o
-13 13 4 40317.46 42277.05 1332.50 o
-10 13 4 27758.07 27460.99 724.79 o
-7 13 4 23776.86 24772.45 621.81 o
-4 13 4 119144.09 119084.89 1692.70 o
-1 13 4 434.00 708.96 221.28 o
-12 14 4 40518.57 41043.37 939.53 o
-9 14 4 42092.97 41048.26 953.90 o
-6 14 4 10349.71 10198.09 472.36 o
-3 14 4 56245.67 54875.80 1086.26 o
0 14 4 40305.84 38437.02 1493.12 o
-14 15 4 39970.16 37621.01 1154.74 o
-11 15 4 33378.01 34491.62 984.25 o
-8 15 4 52003.23 52645.04 1203.82 o
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-2 15 4 28756.14 28757.92 860.07 o
-16 16 4 93431.09 98240.47 4103.61 o
-13 16 4 7803.37 7535.86 693.32 o
-10 16 4 96816.06 96524.65 1808.14 o
-7 16 4 20.33 137.43 214.70 o
-4 16 4 19726.77 20478.93 786.92 o
-1 16 4 20382.49 19906.23 833.65 o
-15 17 4 2901.31 2449.83 487.13 o
-12 17 4 41236.11 40932.79 1239.26 o
-9 17 4 4605.37 4235.91 455.11 o
-6 17 4 101925.48 105817.74 1975.99 o
-3 17 4 26023.47 27299.73 1032.12 o
0 17 4 45781.09 49735.07 2242.77 o
-17 18 4 4165.10 3692.69 596.67 o
-14 18 4 43934.82 41794.59 1432.01 o
-11 18 4 7525.81 7312.96 655.43 o
-8 18 4 45410.71 45367.20 1253.25 o
-5 18 4 7.32 151.11 302.43 o
-2 18 4 2061.91 1674.76 429.75 o
-19 19 4 27559.68 27738.40 1882.64 o
-16 19 4 3096.20 2474.79 543.92 o
-13 19 4 58159.45 57412.49 1499.99 o
-10 19 4 21936.54 21071.21 909.27 o
-7 19 4 9956.36 10850.14 841.97 o
-4 19 4 12543.06 12559.70 946.93 o
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-18 20 4 12397.74 13909.21 1112.94 o
-15 20 4 19689.78 20350.37 1120.10 o
-12 20 4 3639.21 3109.93 567.20 o
-9 20 4 13273.89 14774.13 981.77 o
-6 20 4 0.82 -254.57 346.00 o
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-14 21 4 1846.10 969.38 582.48 o
-11 21 4 32612.67 33948.05 1396.35 o
-8 21 4 15021.85 16299.75 1017.82 o
-5 21 4 39619.00 41524.39 1570.17 o
-10 22 4 29922.25 30779.67 1390.05 o
-1 3 5 1066003.12 1076730.62 9191.66 o
-3 4 5 207744.70 199669.20 1715.30 o
-2 5 5 189.54 188.35 79.42 o
-4 6 5 77002.42 76961.11 818.17 o
-1 6 5 1369.43 1434.48 115.92 o
-6 7 5 78227.63 79964.98 880.50 o
-3 7 5 661789.69 655580.31 5371.60 o
-5 8 5 42450.59 41324.05 626.73 o
-2 8 5 176275.66 175569.75 1836.64 o
-7 9 5 418612.09 416018.19 3905.91 o
-4 9 5 18802.82 19663.49 524.54 o
-1 9 5 188586.11 184943.78 1952.46 o
-9 10 5 56960.30 57650.97 862.31 o
-6 10 5 13597.57 13396.52 384.19 o
-3 10 5 100096.79 97958.73 1283.68 o
-8 11 5 19281.94 19061.57 537.17 o
-5 11 5 10992.68 10744.24 365.52 o
-2 11 5 229.61 199.57 160.60 o
-10 12 5 23384.53 23960.25 646.13 o
-7 12 5 22219.30 22160.12 564.41 o
-4 12 5 176656.56 176093.72 2202.88 o
-1 12 5 0.20 -23.57 160.28 o
-12 13 5 44700.57 45793.73 922.02 o
-9 13 5 232675.69 232262.31 3418.70 o
-6 13 5 37646.61 37751.77 824.76 o
-3 13 5 116171.44 113480.59 1660.49 o
-11 14 5 12.75 117.82 211.58 o
-8 14 5 29200.26 29726.61 807.00 o
-5 14 5 14504.94 14533.16 544.49 o
-2 14 5 93503.48 91082.46 1501.54 o
-13 15 5 165111.16 164700.50 2783.96 o
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