#------------------------------------------------------------------------------
#$Date: 2019-07-31 07:41:19 +0300 (Wed, 31 Jul 2019) $
#$Revision: 217323 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/30/2243037.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_2243037
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   13.6100
_cell_length_b                   9.7201
_cell_length_c                   9.9770
_exptl_crystal_F_000             892.00
_reflns_d_resolution_high        0.8299
_cod_data_source_file            vn2151IIIsup6.hkl
_cod_data_source_block           III
_shelx_title                     ' ABER111  CS/BR/ME-PIP            New: Amm2'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            579.13
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, z'
'x, -y, z'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, z+1/2'
'x, -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 1 -11 8526.10 8114.67 460.15 o
1 1 -11 4070.37 4072.59 230.38 o
2 1 -11 320.05 300.07 120.89 o
3 1 -11 3905.25 3824.98 224.81 o
4 1 -11 9376.69 9400.12 508.29 o
0 3 -11 1481.24 1386.91 235.52 o
1 3 -11 10969.74 10227.08 546.10 o
2 3 -11 4793.65 4610.50 312.22 o
3 3 -11 10337.27 9574.09 516.16 o
4 3 -11 2141.04 2130.70 207.50 o
5 3 -11 10714.40 10328.66 559.52 o
0 0 -10 12051.68 11649.63 591.37 o
1 0 -10 11516.37 11080.58 406.36 o
2 0 -10 19451.51 19413.16 538.63 o
3 0 -10 9302.38 9055.90 344.62 o
4 0 -10 12130.42 11860.08 404.92 o
0 2 -10 14942.59 14240.58 602.25 o
1 2 -10 9555.03 8861.58 327.49 o
2 2 -10 7640.65 7290.15 301.46 o
3 2 -10 7569.73 7455.66 312.65 o
4 2 -10 12635.32 12420.82 448.57 o
5 2 -10 7502.55 7548.37 316.82 o
6 2 -10 7537.91 7483.71 409.47 o
7 2 -10 7170.99 7283.18 585.69 o
8 2 -10 6883.86 6849.24 551.83 o
0 4 -10 4846.52 4846.13 352.91 o
1 4 -10 5005.88 4798.61 245.89 o
2 4 -10 8886.07 8516.02 322.83 o
3 4 -10 2556.26 2481.11 195.25 o
4 4 -10 5035.68 5001.65 262.77 o
5 4 -10 5084.20 4874.33 248.87 o
6 4 -10 5108.71 4897.03 330.85 o
7 4 -10 2511.86 2470.50 298.43 o
0 6 -10 2373.59 2431.78 310.73 o
1 6 -10 17308.50 16982.58 828.74 o
2 6 -10 2714.53 2631.07 227.46 o
3 6 -10 15067.02 14817.05 745.83 o
0 1 -9 1864.71 1836.48 164.56 o
1 1 -9 7087.88 6920.38 219.36 o
2 1 -9 14315.08 13782.06 327.66 o
3 1 -9 5264.06 5206.96 188.53 o
4 1 -9 2902.34 2739.59 156.95 o
5 1 -9 8183.39 8144.63 338.40 o
6 1 -9 9269.72 9572.89 477.22 o
7 1 -9 3388.84 3333.21 285.23 o
8 1 -9 2432.92 2505.61 250.22 o
9 1 -9 5627.11 5869.27 358.03 o
10 1 -9 7644.44 7644.68 588.61 o
0 3 -9 4830.96 4752.00 352.26 o
1 3 -9 18041.47 17430.11 536.57 o
2 3 -9 4918.64 4799.08 260.79 o
3 3 -9 17478.63 17177.90 531.08 o
4 3 -9 2338.38 2346.77 192.39 o
5 3 -9 14959.86 14898.85 479.56 o
6 3 -9 3878.17 3870.74 235.36 o
7 3 -9 13997.89 13844.27 574.45 o
8 3 -9 2257.33 2317.83 254.63 o
9 3 -9 9946.40 9932.13 730.16 o
10 3 -9 3322.13 3294.06 340.16 o
0 5 -9 2374.89 2352.98 262.40 o
1 5 -9 2415.41 2409.34 195.90 o
2 5 -9 21800.68 21668.74 598.62 o
3 5 -9 2191.58 2218.81 195.80 o
4 5 -9 4116.24 4031.74 239.50 o
5 5 -9 2560.41 2424.06 197.44 o
6 5 -9 14637.62 14190.22 475.20 o
7 5 -9 1536.99 1538.04 186.28 o
8 5 -9 3426.79 3352.92 356.61 o
0 7 -9 2333.24 2524.12 335.58 o
1 7 -9 13736.66 13833.23 717.66 o
2 7 -9 2133.65 2128.93 311.72 o
3 7 -9 11669.31 11995.49 889.22 o
4 7 -9 1359.48 1400.39 252.00 o
0 0 -8 3231.99 2943.18 205.26 o
1 0 -8 20264.00 19851.09 500.49 o
2 0 -8 26664.83 26295.87 614.94 o
3 0 -8 24761.69 24297.85 696.11 o
4 0 -8 1638.26 2076.97 407.09 o
5 0 -8 16888.42 17097.40 727.16 o
6 0 -8 23963.69 23879.59 909.21 o
7 0 -8 17178.85 17331.36 691.84 o
8 0 -8 1509.80 1607.41 207.98 o
9 0 -8 10118.85 10197.03 455.87 o
10 0 -8 12445.96 12338.64 490.96 o
0 2 -8 1107.27 1146.91 116.19 o
1 2 -8 18756.19 18945.56 381.68 o
2 2 -8 18950.00 19189.96 434.54 o
3 2 -8 18767.87 18497.41 474.09 o
4 2 -8 164.53 190.54 76.08 o
5 2 -8 15810.83 15381.86 526.86 o
6 2 -8 17559.93 17339.02 528.81 o
7 2 -8 11228.46 11296.10 557.57 o
8 2 -8 261.67 258.17 145.34 o
9 2 -8 14545.11 14400.46 593.69 o
10 2 -8 10265.68 10319.57 464.63 o
11 2 -8 5098.10 5216.75 446.65 o
0 4 -8 11408.16 11236.13 573.27 o
1 4 -8 8850.29 8855.72 366.26 o
2 4 -8 25453.73 25698.41 720.11 o
3 4 -8 10789.89 10587.45 399.35 o
4 4 -8 7036.41 6845.86 315.89 o
5 4 -8 8240.31 8157.89 350.37 o
6 4 -8 23570.82 23383.83 686.56 o
7 4 -8 6187.41 6238.56 299.76 o
8 4 -8 5131.67 4989.84 341.59 o
9 4 -8 6761.19 6646.51 374.82 o
10 4 -8 13858.57 13370.60 918.38 o
0 6 -8 2515.49 2598.33 297.95 o
1 6 -8 2311.35 2454.07 209.51 o
2 6 -8 3264.83 3366.03 227.91 o
3 6 -8 3288.40 3263.21 233.08 o
4 6 -8 2851.55 2772.86 278.54 o
5 6 -8 2196.41 2170.36 259.96 o
6 6 -8 3336.07 3152.00 282.03 o
7 6 -8 1268.98 1247.08 207.03 o
8 6 -8 1765.16 1713.13 252.00 o
0 8 -8 9192.05 9311.90 740.73 o
1 8 -8 2855.85 2976.47 257.94 o
2 8 -8 37381.09 35803.85 2310.58 o
3 8 -8 4752.86 5175.00 520.01 o
4 8 -8 6526.31 6883.06 641.78 o
0 1 -7 9875.34 9779.45 263.87 o
1 1 -7 4030.59 4093.11 117.45 o
2 1 -7 38537.14 38983.20 483.84 o
3 1 -7 552.61 613.36 59.26 o
4 1 -7 7524.80 7383.92 227.73 o
5 1 -7 3376.04 3475.13 152.68 o
6 1 -7 32778.02 32806.93 833.63 o
7 1 -7 2030.21 2089.28 158.29 o
8 1 -7 5136.06 5207.25 242.88 o
9 1 -7 1053.28 1185.90 133.22 o
10 1 -7 20811.63 21162.00 521.91 o
11 1 -7 1166.67 1251.84 194.69 o
12 1 -7 2913.53 2870.93 249.61 o
13 1 -7 1310.13 1366.17 219.12 o
0 3 -7 4226.89 4206.68 206.87 o
1 3 -7 1852.14 1930.95 111.51 o
2 3 -7 26121.11 26289.13 786.93 o
3 3 -7 5370.55 5516.42 200.17 o
4 3 -7 5133.01 5012.86 270.86 o
5 3 -7 1085.89 1141.84 144.39 o
6 3 -7 20692.98 20331.28 611.33 o
7 3 -7 2492.63 2482.96 256.68 o
8 3 -7 2815.28 2820.47 261.53 o
9 3 -7 1500.11 1422.22 195.92 o
10 3 -7 12013.27 11342.57 493.87 o
11 3 -7 1956.58 1861.68 223.42 o
12 3 -7 1958.43 2054.49 260.64 o
0 5 -7 7615.17 8028.25 499.80 o
1 5 -7 11822.81 12361.84 452.54 o
2 5 -7 53116.48 54081.47 2229.66 o
3 5 -7 5609.14 5827.84 300.12 o
4 5 -7 5768.61 5647.48 293.90 o
5 5 -7 10804.35 10585.88 528.88 o
6 5 -7 43939.06 42809.00 1617.94 o
7 5 -7 6955.64 6842.94 402.48 o
8 5 -7 4878.04 4714.78 323.95 o
9 5 -7 5266.96 5138.71 347.67 o
10 5 -7 26881.44 26824.54 1749.84 o
11 5 -7 4170.56 4184.75 396.02 o
0 7 -7 1425.10 1261.03 235.58 o
1 7 -7 1364.86 1411.08 260.77 o
2 7 -7 9049.75 9037.58 541.09 o
3 7 -7 3256.50 3367.86 348.75 o
4 7 -7 1461.37 1498.77 289.68 o
5 7 -7 1038.32 1048.94 172.16 o
6 7 -7 8066.48 8065.52 359.11 o
7 7 -7 1286.11 1316.52 179.77 o
8 7 -7 911.31 942.32 217.54 o
0 9 -7 5829.26 5795.40 546.59 o
1 9 -7 2726.66 2944.81 270.22 o
2 9 -7 14948.46 15433.83 795.13 o
3 9 -7 930.95 1033.08 183.99 o
4 9 -7 5199.12 5239.07 368.94 o
0 0 -6 44411.30 44786.75 1740.51 o
1 0 -6 12793.81 12882.10 328.69 o
2 0 -6 39849.36 40125.66 754.65 o
3 0 -6 10025.40 10126.36 289.39 o
4 0 -6 27914.93 28291.69 544.82 o
5 0 -6 12200.56 12177.54 392.00 o
6 0 -6 24819.12 26155.71 978.80 o
7 0 -6 8293.77 8695.21 474.52 o
8 0 -6 16970.91 17148.92 728.13 o
9 0 -6 5481.86 5304.60 342.57 o
10 0 -6 18242.14 18107.33 708.97 o
11 0 -6 6485.57 6353.06 359.39 o
12 0 -6 9658.97 9515.33 441.72 o
13 0 -6 3773.19 3685.51 283.26 o
14 0 -6 9224.35 9662.76 718.49 o
0 2 -6 13732.74 13300.00 339.50 o
1 2 -6 5468.79 5683.40 174.51 o
2 2 -6 90753.42 89574.37 963.68 o
3 2 -6 4438.50 4319.53 128.85 o
4 2 -6 19459.41 19200.49 324.00 o
5 2 -6 2937.99 2920.97 139.22 o
6 2 -6 59734.46 61806.10 1392.98 o
7 2 -6 5250.39 5303.21 251.30 o
8 2 -6 12005.58 12042.25 405.30 o
9 2 -6 1390.60 1414.84 135.05 o
10 2 -6 43323.70 42855.98 1307.40 o
11 2 -6 2715.00 2702.03 251.65 o
12 2 -6 5882.07 5774.87 347.69 o
13 2 -6 495.67 500.41 151.17 o
0 4 -6 7262.53 7912.30 350.23 o
1 4 -6 4366.09 4717.81 192.70 o
2 4 -6 14051.34 14497.83 512.31 o
3 4 -6 3031.75 3141.89 179.34 o
4 4 -6 5296.08 5537.98 238.38 o
5 4 -6 5603.03 5762.74 306.14 o
6 4 -6 8676.39 8337.73 484.36 o
7 4 -6 1355.89 1358.20 207.69 o
9 4 -6 3000.58 2960.43 276.63 o
10 4 -6 8090.75 8014.01 432.26 o
11 4 -6 1221.51 1149.27 200.13 o
12 4 -6 2740.04 2747.89 266.90 o
13 4 -6 2215.62 2227.01 279.68 o
2 6 -6 48587.39 47000.31 1736.72 o
3 6 -6 9141.93 9331.29 614.48 o
4 6 -6 8672.32 8413.13 384.79 o
5 6 -6 9362.03 9404.88 403.31 o
6 6 -6 32361.95 31833.13 851.60 o
7 6 -6 9289.82 8983.59 392.86 o
8 6 -6 5739.34 5658.69 378.61 o
9 6 -6 4306.50 4464.35 342.94 o
10 6 -6 24870.98 24755.53 782.36 o
11 6 -6 6053.27 5972.19 508.14 o
0 8 -6 1506.14 1644.26 261.73 o
1 8 -6 3477.55 3622.89 256.92 o
2 8 -6 15197.91 15274.18 509.32 o
3 8 -6 3592.99 3640.99 250.42 o
4 8 -6 296.54 348.63 136.17 o
5 8 -6 3767.36 3632.41 255.45 o
6 8 -6 9214.92 8900.64 379.05 o
7 8 -6 1445.04 1413.52 187.58 o
8 8 -6 163.78 171.96 169.80 o
0 10 -6 4318.38 4533.76 469.41 o
1 10 -6 9087.01 9374.57 542.41 o
2 10 -6 20421.84 21382.26 1038.85 o
0 1 -5 1902.44 2065.59 121.12 o
1 1 -5 9182.33 9213.37 183.03 o
2 1 -5 23086.04 22531.52 318.16 o
3 1 -5 7333.34 7425.86 169.34 o
4 1 -5 57.03 166.34 50.95 o
5 1 -5 5800.65 5937.82 202.86 o
6 1 -5 25874.76 26248.95 476.80 o
7 1 -5 6543.74 6565.24 269.56 o
8 1 -5 302.42 349.24 87.55 o
9 1 -5 4691.71 4644.03 230.65 o
10 1 -5 12795.56 12789.41 414.80 o
11 1 -5 3604.27 3597.41 198.18 o
12 1 -5 102.75 99.44 84.16 o
13 1 -5 2893.16 2966.27 183.09 o
14 1 -5 6113.13 6448.92 365.31 o
0 3 -5 19651.39 20035.64 517.32 o
1 3 -5 19528.09 19822.56 336.14 o
2 3 -5 67349.61 67182.73 831.42 o
3 3 -5 18447.96 18540.02 316.94 o
4 3 -5 13100.07 12844.79 245.91 o
5 3 -5 11879.55 12358.84 301.46 o
6 3 -5 59397.55 60270.74 1125.32 o
7 3 -5 16862.22 16921.06 506.53 o
8 3 -5 10599.41 10618.09 367.67 o
9 3 -5 9161.45 9040.17 327.01 o
10 3 -5 31473.36 30876.45 1033.38 o
11 3 -5 8231.99 8045.05 454.98 o
12 3 -5 4825.83 4780.61 329.49 o
13 3 -5 5701.14 5584.61 348.64 o
14 3 -5 17034.31 16007.38 1265.81 o
2 5 -5 13716.95 12878.49 669.64 o
3 5 -5 3977.48 3998.57 337.88 o
4 5 -5 5373.28 5386.75 296.68 o
5 5 -5 2070.53 2047.65 192.68 o
6 5 -5 16306.54 16065.18 442.24 o
7 5 -5 3897.97 3870.67 249.69 o
8 5 -5 3259.07 3336.51 292.53 o
9 5 -5 1224.24 1297.80 201.92 o
10 5 -5 7960.04 7959.52 455.24 o
11 5 -5 2339.08 2330.77 264.44 o
12 5 -5 1858.84 1870.35 240.32 o
13 5 -5 758.68 821.58 206.35 o
0 7 -5 12378.25 12740.01 675.37 o
1 7 -5 8925.24 9159.98 394.47 o
2 7 -5 37622.11 38229.14 1016.11 o
3 7 -5 7092.37 7148.06 352.89 o
4 7 -5 9132.62 8902.63 395.70 o
5 7 -5 7462.61 7301.22 351.70 o
6 7 -5 33823.04 32099.90 896.25 o
7 7 -5 6121.93 6000.05 493.71 o
0 9 -5 338.16 375.86 199.15 o
1 9 -5 5201.65 5307.85 301.52 o
2 9 -5 5797.93 5973.28 321.87 o
3 9 -5 3907.30 4000.82 262.90 o
4 9 -5 297.28 379.75 140.82 o
5 9 -5 4415.08 4311.23 270.75 o
6 9 -5 7090.29 7036.23 341.82 o
7 9 -5 3420.44 3484.95 286.43 o
0 0 -4 4433.79 4342.37 236.50 o
1 0 -4 67873.81 68102.18 773.54 o
2 0 -4 98561.88 97942.70 1042.80 o
3 0 -4 87339.66 89286.43 946.03 o
4 0 -4 5301.14 5140.87 205.23 o
5 0 -4 54923.48 55235.86 1139.69 o
6 0 -4 55907.46 56118.12 1480.67 o
7 0 -4 46778.25 47483.99 1822.78 o
8 0 -4 7908.00 7691.02 415.87 o
9 0 -4 34617.32 34598.97 1233.95 o
10 0 -4 34162.68 33634.62 1163.48 o
11 0 -4 28166.37 28399.38 1030.04 o
12 0 -4 1691.64 1669.52 208.85 o
13 0 -4 17200.53 17079.31 635.62 o
14 0 -4 21060.45 21144.29 729.86 o
15 0 -4 14154.31 14349.19 988.70 o
0 2 -4 39645.44 41268.83 568.30 o
1 2 -4 6253.06 6319.58 154.17 o
2 2 -4 7280.60 7377.98 171.20 o
3 2 -4 8355.77 8372.87 178.70 o
4 2 -4 31133.54 31393.06 468.22 o
5 2 -4 5434.92 5738.71 223.89 o
6 2 -4 7178.90 7174.08 252.96 o
7 2 -4 5459.50 5316.03 180.14 o
8 2 -4 14905.08 14627.62 460.56 o
9 2 -4 2464.45 2415.53 166.26 o
10 2 -4 3542.12 3649.59 207.65 o
11 2 -4 5707.86 5841.39 262.39 o
12 2 -4 11571.39 11604.08 416.25 o
13 2 -4 1055.30 1119.15 131.68 o
14 2 -4 1217.09 1191.87 194.61 o
15 2 -4 2463.32 2504.54 289.19 o
0 4 -4 4803.26 4817.51 331.01 o
1 4 -4 47522.67 47146.52 881.50 o
2 4 -4 34043.36 33861.81 637.83 o
3 4 -4 49606.24 48463.05 784.83 o
4 4 -4 4878.80 4610.54 187.23 o
5 4 -4 41969.38 41079.15 1023.49 o
6 4 -4 21048.71 20647.01 412.02 o
7 4 -4 28985.14 28679.25 611.47 o
8 4 -4 4300.93 4255.43 222.05 o
9 4 -4 29139.74 28792.59 1034.13 o
10 4 -4 13079.46 12966.51 591.35 o
11 4 -4 20707.23 20798.77 814.15 o
12 4 -4 614.09 666.77 175.47 o
13 4 -4 14790.34 15018.07 607.10 o
14 4 -4 8613.95 8328.38 627.39 o
0 6 -4 8835.75 9294.03 582.76 o
1 6 -4 3316.48 3377.89 193.17 o
2 6 -4 18226.18 18147.18 489.29 o
3 6 -4 4545.20 4524.84 281.70 o
4 6 -4 6267.08 6025.50 325.98 o
5 6 -4 3329.87 3211.96 375.94 o
6 6 -4 14609.95 14148.41 820.14 o
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10 6 -4 9205.31 8183.06 481.90 o
11 6 -4 1654.47 1754.20 236.20 o
12 6 -4 3200.87 3263.55 355.73 o
0 8 -4 7542.33 7657.11 535.22 o
1 8 -4 25908.50 26460.06 622.54 o
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10 8 -4 2633.84 2907.04 348.47 o
0 10 -4 3397.51 3584.22 359.55 o
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6 10 -4 11791.68 11216.05 494.70 o
0 1 -3 29498.95 31212.37 474.61 o
1 1 -3 43328.86 43433.88 393.74 o
2 1 -3 6534.12 6702.82 152.74 o
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5 1 -3 27497.14 26657.19 489.32 o
6 1 -3 2645.21 2620.22 131.02 o
7 1 -3 30732.43 30245.19 535.30 o
8 1 -3 12467.04 12464.66 295.63 o
9 1 -3 17505.69 17162.15 513.61 o
10 1 -3 2077.58 2170.52 163.78 o
11 1 -3 15547.82 15346.67 485.55 o
12 1 -3 5604.30 5363.71 246.67 o
13 1 -3 9359.15 9231.93 355.01 o
14 1 -3 546.24 671.49 121.03 o
15 1 -3 10519.65 10268.74 537.78 o
0 3 -3 10584.07 10954.21 370.75 o
1 3 -3 13377.26 13298.33 286.56 o
2 3 -3 19376.94 19240.95 346.38 o
3 3 -3 9682.36 9537.32 239.48 o
4 3 -3 5006.83 4909.65 193.78 o
5 3 -3 11778.43 11593.77 270.64 o
6 3 -3 13564.10 13199.60 318.09 o
7 3 -3 7308.31 7124.87 207.74 o
8 3 -3 4821.46 4660.59 165.91 o
9 3 -3 6413.48 6479.85 287.06 o
10 3 -3 9686.71 9899.57 359.89 o
11 3 -3 5300.02 5296.47 251.55 o
12 3 -3 2903.61 2958.75 194.67 o
13 3 -3 4275.63 4383.59 228.79 o
14 3 -3 3913.27 4149.31 320.79 o
15 3 -3 1994.03 2107.08 278.61 o
0 5 -3 24241.13 23602.02 1692.09 o
1 5 -3 49430.65 48888.62 783.62 o
2 5 -3 4315.61 4459.11 140.46 o
3 5 -3 52187.39 51956.66 1300.14 o
4 5 -3 18275.06 18002.25 379.25 o
5 5 -3 38813.55 38166.26 538.26 o
6 5 -3 1891.19 1970.23 114.56 o
7 5 -3 35276.34 35819.43 874.31 o
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10 5 -3 1982.85 2104.07 253.48 o
11 5 -3 17880.57 18469.53 771.72 o
12 5 -3 8530.95 8875.88 473.31 o
13 5 -3 16256.83 17142.09 723.93 o
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