#------------------------------------------------------------------------------
#$Date: 2016-06-11 05:10:07 +0300 (Sat, 11 Jun 2016) $
#$Revision: 183353 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/17/2241716.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_2241716
_cell_angle_alpha                90.000
_cell_angle_beta                 119.577
_cell_angle_gamma                90.000
_cell_length_a                   12.0996
_cell_length_b                   24.5110
_cell_length_c                   11.2999
_exptl_crystal_F_000             1532.00
_reflns_d_resolution_high        0.6730
_cod_data_source_file            su5305Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' twin4 in Cc'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            551.80
_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
2 0 0 50082.95 49768.83 604.61 o
4 0 0 17243.47 18179.08 405.88 o
6 0 0 71272.45 72506.66 724.43 o
8 0 0 1208.14 1349.63 275.76 o
10 0 0 1961.14 2560.72 295.88 o
12 0 0 2398.44 1725.24 317.41 o
14 0 0 5425.41 4852.71 457.07 o
1 1 0 7909.46 7770.22 80.53 o
3 1 0 180141.22 183172.00 2028.20 o
5 1 0 16477.76 13389.67 469.92 o
7 1 0 14291.20 14419.75 704.84 o
9 1 0 3464.51 3494.95 172.91 o
11 1 0 2665.42 2290.84 224.38 o
13 1 0 2247.04 1961.86 215.96 o
15 1 0 1537.21 2221.36 645.42 o
0 2 0 123.13 86.19 6.58 o
2 2 0 9108.69 8827.06 114.52 o
4 2 0 4268.29 4203.53 220.19 o
6 2 0 900.14 1043.64 54.93 o
8 2 0 13655.50 13926.50 274.12 o
10 2 0 12061.67 12588.89 253.93 o
12 2 0 1319.94 1076.28 211.81 o
14 2 0 2608.08 2209.84 323.55 o
1 3 0 1507.47 1298.61 33.45 o
3 3 0 26780.59 27626.56 298.34 o
5 3 0 16107.67 16387.72 713.18 o
7 3 0 4626.89 4426.60 110.38 o
9 3 0 11776.01 11484.66 217.02 o
11 3 0 2859.31 2433.10 227.62 o
13 3 0 5201.46 4900.87 243.67 o
15 3 0 2071.65 1750.07 487.40 o
0 4 0 192853.05 211778.98 1771.73 o
2 4 0 25432.42 24741.53 171.22 o
4 4 0 9027.31 9061.10 188.26 o
6 4 0 39982.42 38955.21 339.53 o
8 4 0 821.08 703.50 234.09 o
10 4 0 3094.94 3006.30 207.66 o
12 4 0 7849.13 7143.37 273.12 o
14 4 0 1632.32 695.28 333.05 o
1 5 0 23258.03 23492.07 136.81 o
3 5 0 104396.94 104096.85 757.62 o
5 5 0 20979.54 20747.67 498.96 o
7 5 0 385.30 492.98 63.36 o
9 5 0 3399.86 3588.33 185.91 o
11 5 0 4714.98 4900.71 246.84 o
13 5 0 2658.28 2539.16 219.06 o
15 5 0 945.55 851.04 478.05 o
0 6 0 112.68 145.43 17.28 o
2 6 0 20304.47 21008.19 152.30 o
4 6 0 8628.17 8953.25 157.37 o
6 6 0 699.56 398.98 502.49 o
8 6 0 20480.55 20207.38 366.37 o
10 6 0 9516.70 9994.10 244.69 o
12 6 0 2974.60 2817.65 232.25 o
14 6 0 653.16 148.26 330.28 o
1 7 0 3771.22 3657.81 42.98 o
3 7 0 39651.24 41268.44 292.09 o
5 7 0 3934.27 3476.97 272.94 o
7 7 0 10280.65 10127.60 162.95 o
9 7 0 11819.90 12112.21 241.38 o
11 7 0 3270.29 3216.44 231.49 o
13 7 0 3641.95 3484.00 238.01 o
15 7 0 1707.70 3209.32 561.31 o
0 8 0 8609.45 8126.12 88.36 o
2 8 0 10771.09 10667.46 93.53 o
4 8 0 4409.87 4286.37 119.11 o
6 8 0 39006.15 38006.98 883.81 o
8 8 0 3695.09 3376.64 219.82 o
10 8 0 4810.71 4535.12 247.33 o
12 8 0 8635.91 8852.25 304.08 o
14 8 0 147.35 49.40 345.09 o
1 9 0 21564.74 21911.16 150.70 o
3 9 0 79000.91 78551.95 538.91 o
5 9 0 13993.17 14176.26 280.22 o
7 9 0 1925.34 1729.74 93.53 o
9 9 0 15210.13 16401.58 294.40 o
11 9 0 6706.19 6772.00 256.99 o
13 9 0 5386.32 5751.70 271.16 o
15 9 0 782.04 862.49 934.62 o
0 10 0 285.48 279.17 26.04 o
2 10 0 17253.17 18849.50 150.33 o
4 10 0 23519.54 22831.62 212.82 o
6 10 0 3154.26 2800.07 374.49 o
8 10 0 15977.77 16562.85 386.27 o
10 10 0 12130.87 12851.46 281.16 o
12 10 0 2958.31 2408.47 257.50 o
14 10 0 663.81 120.13 320.29 o
1 11 0 15176.49 15092.38 128.31 o
3 11 0 61960.51 62579.81 429.39 o
5 11 0 4521.39 3996.86 144.48 o
7 11 0 31299.12 31605.16 1018.91 o
9 11 0 13261.69 12765.85 272.58 o
11 11 0 914.06 788.99 237.40 o
13 11 0 2119.02 1975.27 224.10 o
0 12 0 77260.67 78504.86 684.54 o
2 12 0 2636.39 2282.26 53.03 o
4 12 0 14318.53 14554.97 162.46 o
6 12 0 33096.27 33363.71 820.39 o
8 12 0 2691.21 3010.84 253.37 o
10 12 0 5801.31 5991.22 252.37 o
12 12 0 5951.56 6176.67 290.22 o
14 12 0 469.36 -37.74 431.77 o
1 13 0 7033.31 7097.47 85.49 o
3 13 0 44347.39 45131.36 318.97 o
5 13 0 10963.99 10722.07 182.88 o
7 13 0 9885.51 10321.28 447.07 o
9 13 0 11941.75 11986.41 282.38 o
11 13 0 2259.57 2236.94 270.05 o
13 13 0 1136.91 1218.20 219.44 o
0 14 0 3974.36 3775.20 87.58 o
2 14 0 10733.57 10626.36 114.78 o
4 14 0 8728.28 8630.81 140.86 o
6 14 0 2156.01 2866.64 528.71 o
8 14 0 11993.65 12063.93 308.06 o
10 14 0 3915.97 4094.58 255.23 o
12 14 0 2151.41 2597.74 233.39 o
14 14 0 1626.63 8334.57 1679.34 o
1 15 0 10234.28 10540.99 107.74 o
3 15 0 36667.16 36210.52 263.30 o
5 15 0 8462.26 8085.45 174.55 o
7 15 0 8697.99 8998.08 640.22 o
9 15 0 9796.58 10052.81 270.99 o
11 15 0 1217.77 1101.96 255.67 o
13 15 0 1683.27 2208.18 253.82 o
0 16 0 28320.81 29156.57 343.37 o
2 16 0 1273.90 1319.14 68.20 o
4 16 0 6373.40 6305.29 121.72 o
6 16 0 30412.63 28336.59 1069.62 o
8 16 0 4399.99 4597.72 238.08 o
10 16 0 5158.54 5662.47 267.86 o
12 16 0 5993.70 6375.86 290.63 o
1 17 0 7225.61 7583.45 92.93 o
3 17 0 5453.69 5284.38 100.75 o
5 17 0 5914.99 5570.89 178.47 o
7 17 0 2147.69 2176.92 336.96 o
9 17 0 8611.50 8769.94 286.27 o
11 17 0 2596.82 3015.02 299.42 o
13 17 0 940.66 1083.36 257.90 o
0 18 0 655.84 856.76 54.02 o
2 18 0 10595.08 10136.01 130.02 o
4 18 0 5611.71 5770.57 145.64 o
6 18 0 4310.61 4363.18 498.01 o
8 18 0 6147.02 6576.45 288.99 o
10 18 0 1381.44 1588.63 269.56 o
12 18 0 1520.29 2071.56 251.19 o
1 19 0 6283.09 6831.20 103.27 o
3 19 0 21205.47 20558.08 232.37 o
5 19 0 9091.47 8456.94 216.12 o
7 19 0 6237.06 6744.45 1619.75 o
9 19 0 4444.29 5046.97 285.41 o
11 19 0 1750.71 1913.73 292.77 o
13 19 0 1116.97 704.09 377.39 o
0 20 0 33854.91 33422.73 443.22 o
2 20 0 5618.88 5930.70 144.52 o
4 20 0 4199.92 3835.34 155.77 o
6 20 0 26882.38 26642.20 799.75 o
8 20 0 2580.02 2553.92 268.67 o
10 20 0 681.20 620.26 272.99 o
12 20 0 1390.04 1306.44 265.08 o
1 21 0 11508.98 11075.83 168.03 o
3 21 0 4416.21 4081.96 159.52 o
5 21 0 3419.44 3735.63 225.79 o
7 21 0 2660.39 2748.30 470.21 o
9 21 0 2995.67 2851.37 278.63 o
11 21 0 4072.22 4727.95 316.59 o
0 22 0 513.64 508.39 98.97 o
2 22 0 6976.02 7118.94 168.23 o
4 22 0 7246.64 7703.16 194.81 o
6 22 0 4512.93 5769.62 488.03 o
8 22 0 5777.05 6051.18 305.97 o
10 22 0 2347.64 1864.15 285.71 o
12 22 0 646.94 1205.68 346.40 o
1 23 0 5010.36 5108.22 132.94 o
3 23 0 10749.38 10706.51 230.50 o
5 23 0 4359.82 4638.78 228.25 o
7 23 0 2243.83 2329.10 491.22 o
9 23 0 4978.06 4308.08 293.47 o
11 23 0 1500.80 1709.70 300.74 o
0 24 0 43470.00 42416.95 679.63 o
2 24 0 3423.17 3439.48 142.25 o
4 24 0 2481.00 2552.86 200.36 o
6 24 0 9025.15 10073.94 718.74 o
8 24 0 885.83 719.08 272.66 o
10 24 0 623.98 208.94 272.27 o
1 25 0 11202.43 11014.30 187.79 o
3 25 0 11816.44 12389.77 250.29 o
5 25 0 3953.46 4760.60 309.69 o
7 25 0 1307.61 2056.20 518.75 o
9 25 0 609.03 297.09 321.19 o
11 25 0 1843.00 1983.33 571.41 o
0 26 0 32.44 76.84 111.92 o
2 26 0 10610.83 10571.87 210.12 o
4 26 0 5934.84 6009.72 288.28 o
6 26 0 2105.81 2676.03 440.14 o
8 26 0 2794.32 2795.16 404.11 o
10 26 0 1630.77 1090.16 359.19 o
1 27 0 3542.46 3485.84 159.48 o
3 27 0 1952.42 2078.55 220.32 o
5 27 0 3577.26 4832.65 344.58 o
7 27 0 1154.68 1012.74 714.04 o
9 27 0 3036.11 2767.44 388.40 o
0 28 0 4057.18 3977.59 217.10 o
2 28 0 501.67 486.80 188.05 o
4 28 0 479.46 251.10 256.64 o
6 28 0 3591.09 4085.53 450.72 o
8 28 0 1396.96 1812.40 416.04 o
1 29 0 3195.27 3486.75 210.28 o
3 29 0 6333.84 6515.57 280.59 o
5 29 0 3784.96 4008.20 368.71 o
7 29 0 1538.15 1540.18 539.60 o
9 29 0 1259.09 432.73 1284.12 o
0 30 0 2936.13 3093.95 314.10 o
2 30 0 10579.54 10730.57 330.96 o
4 30 0 5546.67 6317.12 334.69 o
6 30 0 934.06 1059.58 456.78 o
8 30 0 2892.14 3203.05 497.26 o
1 31 0 3697.37 3647.41 291.54 o
3 31 0 2773.74 3201.64 315.50 o
5 31 0 2353.11 2880.94 477.87 o
7 31 0 797.76 1735.30 666.29 o
0 32 0 1886.96 1691.57 301.74 o
2 32 0 1947.26 2020.75 372.13 o
4 32 0 316.29 1044.85 361.89 o
6 32 0 3144.46 3811.55 693.81 o
1 33 0 1746.19 1423.56 331.48 o
3 33 0 1397.47 675.91 492.22 o
5 33 0 1429.75 -255.64 951.66 o
0 34 0 27.88 -159.05 393.17 o
2 34 0 3228.90 3126.67 450.02 o
4 34 0 3671.09 535.24 1594.54 o
1 35 0 3190.08 3360.56 553.62 o
3 35 0 1486.98 -1167.32 1443.85 o
-14 0 12 2140.37 1925.00 327.83 o
-12 0 10 6928.65 6729.77 366.89 o
-10 0 8 14396.19 14487.33 402.87 o
-8 0 6 9850.32 9986.48 580.62 o
-8 0 8 16987.57 18031.60 452.00 o
-10 0 10 808.15 536.26 289.86 o
-12 0 12 1047.79 1165.38 287.61 o
-14 0 14 2524.28 955.22 501.79 o
-15 1 1 4905.17 4440.67 397.50 o
-13 1 1 1302.65 1217.43 198.56 o
-11 1 1 12892.29 13844.52 334.54 o
-9 1 1 8902.42 9177.54 235.61 o
-7 1 1 23460.24 25485.40 1086.81 o
-5 1 1 54893.37 54731.34 1926.39 o
-3 1 1 45560.60 48601.36 968.03 o
-1 1 1 8092.34 8150.36 71.14 o
1 1 1 91629.83 92719.98 492.22 o
3 1 1 6996.53 6929.63 105.35 o
5 1 1 15731.44 15650.67 263.92 o
7 1 1 16854.73 16281.19 593.71 o
9 1 1 878.70 900.61 175.78 o
11 1 1 6356.24 6601.37 248.08 o
13 1 1 3239.63 2447.39 210.23 o
15 1 1 390.10 50.09 335.36 o
-16 2 1 104.73 -296.76 296.76 o
-14 2 1 7886.28 7942.65 277.16 o
-12 2 1 4765.56 4541.24 237.21 o
-10 2 1 2227.66 2410.43 214.75 o
-8 2 1 46530.02 47458.05 670.77 o
-6 2 1 9470.68 9405.10 119.83 o
-4 2 1 19210.89 19458.00 630.14 o
-2 2 1 64802.40 68946.77 1056.48 o
0 2 1 9848.49 9447.21 57.82 o
2 2 1 12784.39 12172.57 93.81 o
4 2 1 67201.68 66234.50 573.33 o
6 2 1 1552.63 1692.76 70.86 o
8 2 1 16365.57 16919.69 349.86 o
10 2 1 13531.80 13604.24 278.20 o
12 2 1 745.35 484.10 194.07 o
14 2 1 1019.95 659.16 380.42 o
-15 3 1 2151.49 1159.30 387.71 o
-13 3 1 348.19 50.22 182.58 o
-11 3 1 9166.68 9415.29 298.34 o
-9 3 1 11687.21 12031.36 230.19 o
-7 3 1 18313.79 17931.70 815.56 o
-5 3 1 26480.09 25016.51 228.01 o
-3 3 1 7845.87 8229.62 190.89 o
-1 3 1 1452.41 1368.78 33.01 o
1 3 1 45569.30 48150.34 256.56 o
3 3 1 22591.35 21969.13 202.64 o
5 3 1 11728.47 10986.66 223.48 o
7 3 1 24509.11 24381.19 820.15 o
9 3 1 5633.36 5773.56 204.90 o
11 3 1 3929.48 3960.93 238.64 o
13 3 1 3983.79 3008.16 237.14 o
15 3 1 308.13 -630.75 630.75 o
-16 4 1 770.08 -239.81 413.05 o
-14 4 1 1093.31 677.09 233.10 o
-12 4 1 4572.79 4648.08 240.49 o
-10 4 1 7499.78 7793.95 232.20 o
-8 4 1 6744.51 6943.85 207.35 o
-6 4 1 157.68 275.34 49.72 o
-4 4 1 17939.78 16379.35 359.68 o
-2 4 1 35345.29 35347.30 277.62 o
0 4 1 3744.02 3485.65 40.88 o
2 4 1 14398.86 13671.51 106.71 o
4 4 1 11251.16 10876.21 167.61 o
6 4 1 728.82 371.76 551.74 o
8 4 1 12923.38 13393.89 328.05 o
10 4 1 4943.63 5090.02 228.73 o
12 4 1 2335.90 1816.84 227.73 o
14 4 1 2934.40 1760.93 363.23 o
-15 5 1 2358.76 1668.19 392.66 o
-13 5 1 3597.67 3096.18 220.75 o
-11 5 1 7517.64 7727.68 266.34 o
-9 5 1 7365.35 7604.97 200.66 o
-7 5 1 5086.24 4892.89 105.64 o
-5 5 1 30790.33 33032.55 274.56 o
-3 5 1 34530.28 33769.48 346.29 o
-1 5 1 23362.85 24059.88 138.53 o
1 5 1 304480.03 300033.03 1571.66 o
3 5 1 9081.50 9204.54 116.11 o
5 5 1 6667.29 6492.88 202.76 o
7 5 1 11807.86 11917.18 172.65 o
9 5 1 3731.49 3615.61 190.24 o
11 5 1 4555.08 4502.89 253.74 o
13 5 1 1171.41 622.11 228.02 o
-14 6 1 4057.15 3675.15 304.32 o
-12 6 1 1663.14 1609.70 211.36 o
-10 6 1 4473.47 4443.23 217.57 o
-8 6 1 31371.65 32820.34 486.59 o
-6 6 1 25913.07 24668.90 225.51 o
-4 6 1 6408.94 6469.37 189.60 o
-2 6 1 262630.66 276824.59 1500.70 o
0 6 1 29877.33 31154.44 197.09 o
2 6 1 2937.06 3212.80 57.70 o
4 6 1 134277.84 132538.42 1019.64 o
6 6 1 21014.74 20491.36 1417.77 o
8 6 1 10531.92 10864.59 225.65 o
10 6 1 9056.08 9275.88 256.65 o
12 6 1 722.22 882.22 252.34 o
14 6 1 1851.90 1663.21 366.99 o
-15 7 1 1537.11 1560.76 409.47 o
-13 7 1 3797.18 4046.70 233.30 o
-11 7 1 10965.34 11269.26 280.64 o
-9 7 1 14667.10 14768.49 255.65 o
-7 7 1 1435.30 1585.92 74.57 o
-5 7 1 34049.92 35513.35 957.03 o
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1 7 1 51657.70 52039.86 343.47 o
3 7 1 15880.71 15514.26 149.56 o
5 7 1 10749.07 11431.21 315.28 o
7 7 1 17069.66 17795.81 885.43 o
9 7 1 6689.67 6979.90 209.25 o
11 7 1 7325.48 7465.23 285.37 o
13 7 1 3510.07 3387.80 243.53 o
-14 8 1 892.67 258.50 264.51 o
-12 8 1 3658.87 3789.42 225.08 o
-10 8 1 4867.29 5113.23 211.25 o
-8 8 1 2795.72 2630.91 205.69 o
-6 8 1 179.70 151.62 48.59 o
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-2 8 1 746.20 882.58 48.79 o
0 8 1 21390.40 21719.44 160.72 o
2 8 1 2828.17 3203.36 65.79 o
4 8 1 2508.28 2332.55 97.74 o
6 8 1 1766.60 1868.65 79.98 o
8 8 1 7939.06 8125.51 247.82 o
10 8 1 1231.91 1333.41 223.95 o
12 8 1 2196.91 2008.90 250.71 o
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-11 9 1 7633.34 8270.26 253.90 o
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11 9 1 2368.22 1822.73 265.37 o
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8 10 1 1010.94 786.77 209.43 o
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3 11 1 5651.40 5342.69 104.54 o
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9 11 1 8610.79 8343.04 263.56 o
11 11 1 3364.98 3181.19 278.08 o
13 11 1 1989.70 2161.34 242.53 o
-14 12 1 959.40 675.67 266.22 o
-12 12 1 7673.44 8600.84 284.25 o
-10 12 1 11037.07 11269.20 248.66 o
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-4 12 1 8311.87 8558.74 121.33 o
-2 12 1 4000.75 3843.20 66.21 o
0 12 1 20579.69 20007.86 159.24 o
2 12 1 9183.36 9043.40 106.59 o
4 12 1 3705.05 3870.11 115.29 o
6 12 1 5087.19 5883.12 610.27 o
8 12 1 7527.15 8074.29 268.45 o
10 12 1 1594.29 1564.74 260.52 o
12 12 1 3290.23 3745.66 306.31 o
14 12 1 2125.55 7531.28 750.43 o
-15 13 1 449.36 1926.99 920.06 o
-13 13 1 887.81 925.31 221.94 o
-11 13 1 5222.06 5876.06 246.71 o
-9 13 1 2780.97 2467.65 191.53 o
-7 13 1 9031.12 8497.00 585.49 o
-5 13 1 18811.08 18281.18 264.11 o
-3 13 1 6702.88 7426.67 95.28 o
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1 13 1 23970.83 24074.31 211.95 o
3 13 1 5499.55 5272.05 89.43 o
5 13 1 6540.07 6304.43 170.47 o
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11 13 1 4015.99 3904.36 296.90 o
13 13 1 2430.27 2130.54 252.87 o
-14 14 1 1788.16 1786.10 273.39 o
-12 14 1 2160.85 2351.30 245.91 o
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