#------------------------------------------------------------------------------
#$Date: 2021-01-26 07:38:12 +0200 (Tue, 26 Jan 2021) $
#$Revision: 261215 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/87/2108748.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_2108748
_cell_angle_alpha                90.000
_cell_angle_beta                 100.060
_cell_angle_gamma                90.000
_cell_length_a                   10.0531
_cell_length_b                   16.4082
_cell_length_c                   15.7490
_exptl_crystal_F_000             1852.00
_reflns_d_resolution_high        0.8410
_cod_data_source_file            um50464sup4.hkl
_cod_data_source_block           4
_shelx_title                     ' polimero4 in P21/n No14'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            479.08
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 6514.13 7066.36 98.76 o
4 0 0 85031.08 84428.04 722.19 o
6 0 0 747.67 769.26 81.99 o
8 0 0 32306.28 34709.80 445.59 o
10 0 0 11.24 37.63 102.23 o
1 1 0 68348.70 72363.44 565.31 o
2 1 0 1022.31 1041.54 53.70 o
3 1 0 31649.43 33797.07 322.82 o
4 1 0 1301.51 1436.40 74.00 o
5 1 0 12.79 74.80 68.17 o
6 1 0 2127.90 2287.50 104.54 o
7 1 0 1036.87 1097.86 101.33 o
8 1 0 1161.58 1096.65 126.29 o
9 1 0 3732.03 3657.14 163.42 o
10 1 0 391.17 451.87 120.77 o
11 1 0 17.65 11.65 120.16 o
0 2 0 6352.80 5401.18 66.66 o
1 2 0 2440.30 2448.20 50.34 o
2 2 0 121923.67 129863.80 1021.05 o
3 2 0 2046.22 2375.71 78.37 o
4 2 0 10867.27 11737.41 171.91 o
5 2 0 5805.91 6587.76 141.97 o
6 2 0 47652.44 52383.51 534.11 o
7 2 0 600.21 490.35 94.80 o
8 2 0 3594.33 4009.94 156.64 o
9 2 0 5580.12 5766.45 188.13 o
10 2 0 17451.50 16645.42 333.47 o
11 2 0 77.97 203.20 110.72 o
1 3 0 196.60 279.66 43.81 o
2 3 0 80012.23 87631.80 717.67 o
3 3 0 0.59 79.22 51.49 o
4 3 0 38.05 102.63 59.43 o
5 3 0 6944.10 7597.00 149.65 o
6 3 0 28371.69 31363.03 372.90 o
7 3 0 1055.75 1202.05 103.44 o
8 3 0 1172.12 1377.07 120.11 o
9 3 0 13619.97 14521.34 287.65 o
10 3 0 12935.50 11952.21 283.68 o
11 3 0 4829.08 4683.96 208.93 o
0 4 0 1101.49 1089.27 56.57 o
1 4 0 13438.85 11716.96 148.85 o
2 4 0 75.79 79.12 53.15 o
3 4 0 1618.16 2070.93 77.82 o
4 4 0 2670.30 3280.82 98.81 o
5 4 0 7275.15 8447.04 163.92 o
6 4 0 182.05 175.98 81.53 o
7 4 0 91.06 169.14 87.21 o
8 4 0 18.62 45.36 105.70 o
9 4 0 566.47 592.53 113.83 o
10 4 0 172.39 468.55 110.27 o
11 4 0 3020.81 2761.93 174.52 o
1 5 0 75.89 42.15 52.65 o
2 5 0 1006.53 1578.17 69.78 o
3 5 0 104.01 5.53 60.13 o
4 5 0 780.41 787.40 75.00 o
5 5 0 130.25 80.13 74.40 o
6 5 0 25605.72 29136.11 367.83 o
7 5 0 59.33 60.03 91.33 o
8 5 0 5360.06 5974.12 184.97 o
9 5 0 164.98 219.88 111.12 o
10 5 0 3020.15 2989.55 169.04 o
11 5 0 26.57 12.81 123.78 o
0 6 0 2098.63 1613.98 74.20 o
1 6 0 324.08 250.38 57.12 o
2 6 0 43422.27 41760.84 409.02 o
3 6 0 20470.15 20454.62 254.19 o
4 6 0 1305.73 1340.40 81.43 o
5 6 0 14705.85 16925.54 252.74 o
6 6 0 10898.65 12199.73 228.57 o
7 6 0 1144.30 1296.04 114.74 o
8 6 0 1389.04 1497.19 129.26 o
9 6 0 4008.08 4216.97 174.57 o
10 6 0 3915.24 3863.00 182.81 o
11 6 0 24.62 -66.31 119.46 o
1 7 0 5691.00 5074.65 113.63 o
2 7 0 12479.16 12645.67 190.75 o
3 7 0 25506.64 25456.88 304.33 o
4 7 0 2559.71 2396.01 104.09 o
5 7 0 6646.33 7524.76 170.55 o
6 7 0 18999.13 20472.91 305.13 o
7 7 0 1133.90 1392.19 115.34 o
8 7 0 5.85 31.40 97.46 o
9 7 0 5375.31 5428.41 198.38 o
10 7 0 6226.15 5949.56 219.53 o
0 8 0 34203.67 26662.09 303.58 o
1 8 0 2466.01 1984.63 87.01 o
2 8 0 28362.90 25711.42 307.70 o
3 8 0 12996.18 12521.89 205.31 o
4 8 0 62273.89 63480.20 625.39 o
5 8 0 379.74 420.43 84.25 o
6 8 0 6127.98 6786.04 182.86 o
7 8 0 2460.75 2671.25 144.88 o
8 8 0 1653.56 1876.12 129.76 o
9 8 0 206.89 305.39 104.29 o
10 8 0 2672.67 2521.15 172.81 o
1 9 0 44304.69 41017.90 431.23 o
2 9 0 2307.53 2184.41 98.61 o
3 9 0 38601.35 35084.97 403.95 o
4 9 0 417.91 330.70 90.93 o
5 9 0 2803.40 3081.63 133.58 o
6 9 0 1860.87 1755.75 121.42 o
7 9 0 13860.80 14801.86 288.51 o
8 9 0 399.61 386.87 115.34 o
9 9 0 542.77 707.37 121.32 o
10 9 0 176.68 146.44 119.21 o
0 10 0 110980.52 95466.96 857.43 o
1 10 0 674.85 696.12 79.02 o
2 10 0 127.04 201.15 72.94 o
3 10 0 5688.76 5103.58 152.57 o
4 10 0 22239.02 22608.29 326.23 o
5 10 0 2253.92 1966.19 129.46 o
6 10 0 2633.22 2696.07 139.81 o
7 10 0 953.74 1162.61 126.04 o
8 10 0 2371.83 2660.60 153.22 o
9 10 0 0.33 72.09 107.81 o
10 10 0 915.80 928.41 149.00 o
1 11 0 77.07 -81.28 81.28 o
2 11 0 744.58 716.87 89.77 o
3 11 0 71.04 58.93 82.04 o
4 11 0 486.85 388.68 96.75 o
5 11 0 10577.74 11175.87 242.19 o
6 11 0 5181.25 5240.02 185.62 o
7 11 0 710.89 710.84 111.12 o
8 11 0 1857.65 1795.99 150.61 o
9 11 0 7835.66 8188.43 255.10 o
0 12 0 4392.35 4037.07 142.82 o
1 12 0 811.22 662.16 94.14 o
2 12 0 1246.74 1027.28 110.27 o
3 12 0 47.08 23.96 90.42 o
4 12 0 886.00 878.98 111.78 o
5 12 0 2229.22 2185.62 142.62 o
6 12 0 2188.54 2399.58 143.88 o
7 12 0 7.98 55.21 109.21 o
8 12 0 3937.08 4498.29 191.90 o
9 12 0 329.69 568.02 128.55 o
1 13 0 2757.92 2393.30 129.96 o
2 13 0 978.27 871.60 108.31 o
3 13 0 1471.14 1323.12 117.30 o
4 13 0 19.06 16.53 98.41 o
5 13 0 264.24 231.84 105.35 o
6 13 0 2649.63 2496.18 158.24 o
7 13 0 15.15 -13.61 105.95 o
8 13 0 2548.03 2715.46 173.72 o
0 14 0 149.78 107.30 93.64 o
1 14 0 269.05 347.78 98.66 o
2 14 0 8390.55 7056.91 202.30 o
3 14 0 867.86 795.89 118.61 o
4 14 0 293.46 284.19 106.45 o
5 14 0 45.94 58.63 102.18 o
6 14 0 1431.69 1754.95 148.10 o
7 14 0 463.79 501.51 123.28 o
8 14 0 1349.56 1397.32 158.95 o
1 15 0 3309.39 2679.64 143.37 o
2 15 0 1500.22 1290.87 130.81 o
3 15 0 3249.89 2960.21 152.62 o
4 15 0 176.25 201.45 106.60 o
5 15 0 26.72 171.56 100.02 o
6 15 0 3839.22 4167.03 194.56 o
7 15 0 1106.16 1086.46 140.51 o
0 16 0 17.73 43.55 97.36 o
1 16 0 880.69 949.96 116.50 o
2 16 0 13431.03 13089.76 286.40 o
3 16 0 6716.22 6660.40 209.58 o
4 16 0 50.97 -107.91 112.68 o
5 16 0 128.04 179.90 114.04 o
6 16 0 5556.08 6376.87 237.37 o
1 17 0 73.31 -113.83 113.83 o
2 17 0 1977.04 1623.33 150.76 o
3 17 0 138.36 314.03 118.66 o
4 17 0 543.03 453.68 127.95 o
5 17 0 30.12 -49.68 118.81 o
0 18 0 17021.00 16394.69 343.41 o
1 18 0 1788.68 1566.31 158.24 o
2 18 0 330.90 168.29 120.77 o
3 18 0 5077.37 5127.85 207.12 o
4 18 0 6128.10 6256.75 241.23 o
1 19 0 1405.66 1365.77 145.08 o
2 19 0 451.99 639.71 120.57 o
-11 0 1 7.95 -120.82 120.82 o
-9 0 1 4779.46 4798.30 175.88 o
-7 0 1 8175.27 9227.26 197.13 o
-5 0 1 16469.35 19340.94 246.31 o
-3 0 1 115942.78 119227.06 956.44 o
-1 0 1 0.38 23.96 17.73 o
1 0 1 62961.69 61731.94 489.10 o
3 0 1 170.76 104.09 59.98 o
5 0 1 321.22 373.81 74.10 o
7 0 1 618.38 684.27 99.42 o
9 0 1 1148.76 1365.37 125.99 o
11 0 1 54.97 133.03 121.42 o
-11 1 1 768.21 1026.52 124.43 o
-10 1 1 2805.10 2864.66 165.98 o
-9 1 1 7208.30 7241.33 211.80 o
-8 1 1 18072.91 19823.86 315.53 o
-7 1 1 1274.66 1425.70 103.08 o
-6 1 1 2835.44 3234.05 116.45 o
-5 1 1 248.28 178.14 68.72 o
-4 1 1 35091.46 35162.73 351.05 o
-3 1 1 1565.52 1611.02 68.27 o
-2 1 1 1548.57 1641.01 56.31 o
-1 1 1 1958.05 1882.40 38.28 o
0 1 1 223620.02 199469.48 4971.39 o
1 1 1 3205.03 3334.22 56.06 o
2 1 1 8054.64 9261.72 122.48 o
3 1 1 3179.58 3590.77 91.73 o
4 1 1 18461.71 19750.46 236.61 o
5 1 1 7364.76 8658.64 161.61 o
6 1 1 4214.91 4268.11 131.32 o
7 1 1 1729.60 1677.63 120.37 o
8 1 1 168.61 227.22 112.53 o
9 1 1 264.56 328.34 107.56 o
10 1 1 609.02 675.12 120.62 o
11 1 1 291.47 420.02 125.09 o
-11 2 1 483.91 699.39 125.54 o
-10 2 1 5122.65 5263.33 198.33 o
-9 2 1 3392.05 3397.92 170.35 o
-8 2 1 3936.20 4380.23 161.11 o
-7 2 1 12900.78 13992.35 240.18 o
-6 2 1 7571.50 8258.51 169.09 o
-5 2 1 152.45 304.83 65.11 o
-4 2 1 5829.86 6080.98 121.12 o
-3 2 1 42622.88 47197.74 425.90 o
-2 2 1 2850.86 3252.38 73.34 o
-1 2 1 15276.27 16342.40 160.45 o
0 2 1 18934.88 17100.56 834.62 o
1 2 1 17927.04 17115.28 169.60 o
2 2 1 241.55 461.27 58.27 o
3 2 1 3689.60 4315.18 98.46 o
4 2 1 20071.70 22842.24 265.15 o
5 2 1 373.20 471.52 74.55 o
6 2 1 19576.46 21226.20 288.61 o
7 2 1 3491.23 3810.10 141.01 o
8 2 1 11444.86 11872.54 246.71 o
9 2 1 8583.14 8721.83 229.68 o
10 2 1 2158.42 2152.21 148.20 o
11 2 1 1367.22 1570.33 153.07 o
-11 3 1 106.82 95.25 119.96 o
-10 3 1 7715.41 7967.29 234.70 o
-9 3 1 7384.54 7845.57 211.29 o
-8 3 1 1553.55 1691.70 129.06 o
-7 3 1 1060.10 1004.52 102.48 o
-6 3 1 13234.12 14911.42 232.29 o
-5 3 1 3267.80 3651.06 108.91 o
-4 3 1 406.50 406.16 61.24 o
-3 3 1 4158.75 4571.33 98.51 o
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-1 3 1 3205.59 2809.40 66.11 o
0 3 1 8730.05 7053.82 67.64 o
1 3 1 7606.29 7763.73 109.97 o
2 3 1 12422.31 12544.60 159.10 o
3 3 1 4794.77 5058.97 108.06 o
4 3 1 3728.48 3991.31 105.90 o
5 3 1 802.00 965.84 78.62 o
6 3 1 36682.05 42433.55 464.18 o
7 3 1 688.59 825.43 97.16 o
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9 3 1 1961.00 1948.61 138.85 o
10 3 1 3499.91 3463.37 174.17 o
11 3 1 2227.77 2205.51 161.86 o
-11 4 1 1259.03 1291.47 144.53 o
-10 4 1 4465.54 4627.14 186.17 o
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-7 4 1 3081.07 3105.09 133.18 o
-6 4 1 3361.34 3953.68 129.91 o
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-4 4 1 1182.40 1331.86 74.25 o
-3 4 1 7744.97 8937.70 141.41 o
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-1 4 1 3633.96 2985.63 78.87 o
0 4 1 2634.65 2193.02 48.37 o
1 4 1 8967.44 7595.84 118.41 o
2 4 1 150649.98 151824.70 1209.13 o
3 4 1 15140.75 15751.27 202.40 o
4 4 1 473.92 458.45 65.46 o
5 4 1 18740.25 20931.16 275.34 o
6 4 1 53390.02 59678.59 602.88 o
7 4 1 24.89 -58.37 93.64 o
8 4 1 10256.68 10799.25 240.73 o
9 4 1 7641.01 8158.89 221.19 o
10 4 1 10302.64 10326.48 261.83 o
11 4 1 2079.42 2095.55 168.94 o
-11 5 1 120.64 57.82 123.93 o
-10 5 1 5120.76 4990.60 203.71 o
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-8 5 1 481.42 667.24 108.26 o
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-6 5 1 12994.53 14775.78 241.28 o
-5 5 1 184.21 372.70 72.04 o
-4 5 1 3067.74 3671.25 106.90 o
-3 5 1 1592.44 2163.87 81.23 o
-2 5 1 21944.90 22301.40 248.12 o
-1 5 1 30141.55 26152.39 268.41 o
0 5 1 5375.84 4361.54 248.37 o
1 5 1 6596.14 5698.83 110.07 o
2 5 1 41472.96 41450.03 397.47 o
3 5 1 94961.16 102736.88 871.45 o
4 5 1 90.21 51.14 65.76 o
5 5 1 11435.60 13258.71 214.11 o
6 5 1 2783.37 3149.60 126.95 o
7 5 1 4398.26 4902.39 161.71 o
8 5 1 1658.48 1634.58 133.63 o
9 5 1 1171.14 1302.77 129.71 o
10 5 1 721.28 740.78 126.14 o
11 5 1 26.65 2.61 129.06 o
-11 6 1 802.05 781.52 138.20 o
-10 6 1 5674.67 5510.54 206.72 o
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-8 6 1 1285.55 1230.48 127.70 o
-7 6 1 20.41 2.71 92.18 o
-6 6 1 11485.37 12934.83 230.58 o
-5 6 1 31987.78 36439.99 411.53 o
-4 6 1 1780.48 1991.16 93.24 o
-3 6 1 23651.88 26114.27 297.90 o
-2 6 1 653.60 891.39 67.27 o
-1 6 1 22424.32 17281.41 209.28 o
0 6 1 1031.77 884.75 44.08 o
1 6 1 3363.74 2895.66 86.10 o
2 6 1 49474.38 50827.35 480.31 o
3 6 1 56272.32 55187.13 525.87 o
4 6 1 664.54 612.28 74.65 o
5 6 1 10099.08 11303.06 204.11 o
6 6 1 12747.25 14204.95 246.31 o
7 6 1 11241.94 11848.63 245.20 o
8 6 1 17898.05 18652.30 324.88 o
9 6 1 2162.20 2038.33 149.95 o
10 6 1 2266.94 2454.03 156.64 o
11 6 1 2991.94 2881.79 184.67 o
-11 7 1 1215.13 803.22 158.09 o
-10 7 1 1853.76 1809.00 152.42 o
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-7 7 1 7226.73 7998.84 204.31 o
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-4 7 1 47488.62 52010.56 523.16 o
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-2 7 1 3726.74 3252.48 98.01 o
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0 7 1 29998.81 24774.27 771.40 o
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2 7 1 17843.11 16848.62 227.57 o
3 7 1 18430.89 18287.44 248.72 o
4 7 1 578.48 659.40 77.26 o
5 7 1 24.97 142.12 79.62 o
6 7 1 6621.07 7161.60 180.80 o
7 7 1 212.21 161.56 107.66 o
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10 7 1 901.07 796.74 137.60 o
-10 8 1 3872.97 4215.41 195.87 o
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-8 8 1 429.26 399.83 115.74 o
-7 8 1 14693.47 15894.99 291.77 o
-6 8 1 8722.32 9381.43 206.82 o
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-3 8 1 43470.35 43354.13 456.39 o
-2 8 1 468.85 504.57 65.31 o
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0 8 1 2730.30 2096.64 61.07 o
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2 8 1 6565.03 6176.52 139.91 o
3 8 1 76.22 262.38 71.23 o
4 8 1 8843.60 8312.36 177.18 o
5 8 1 1940.77 2198.98 114.44 o
6 8 1 5595.89 6252.43 176.08 o
7 8 1 2061.14 1906.71 135.64 o
8 8 1 205.33 292.78 104.79 o
9 8 1 4.57 119.56 103.34 o
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-10 9 1 3590.37 3654.98 186.07 o
-9 9 1 903.77 946.70 118.91 o
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-7 9 1 2348.74 2747.71 144.63 o
-6 9 1 10.22 -30.64 96.96 o
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7 9 1 218.13 376.32 101.68 o
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-9 11 1 302.88 248.77 124.54 o
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-2 11 1 979.84 984.43 98.71 o
-1 11 1 1587.00 1461.07 97.06 o
0 11 1 29923.40 23055.31 569.00 o
1 11 1 3432.26 3235.96 126.54 o
2 11 1 1500.40 1457.90 110.02 o
3 11 1 955.68 831.16 97.11 o
4 11 1 61.36 138.20 94.59 o
5 11 1 10.25 113.63 100.82 o
6 11 1 4783.39 4960.36 177.89 o
7 11 1 99.42 187.58 110.87 o
8 11 1 1369.17 1227.77 147.84 o
9 11 1 59.98 185.52 118.21 o
-9 12 1 2730.31 2716.11 175.83 o
-8 12 1 27.96 33.06 112.08 o
-7 12 1 6.61 11.71 100.87 o
-6 12 1 52.77 61.84 96.00 o
-5 12 1 2031.64 2032.60 131.62 o
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-3 12 1 126.78 105.14 90.32 o
-2 12 1 126.99 95.20 86.71 o
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0 12 1 20947.82 15796.67 189.28 o
1 12 1 610.19 590.27 101.73 o
2 12 1 3450.69 3227.87 142.02 o
3 12 1 14.32 35.97 90.37 o
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5 12 1 23857.17 24866.10 381.64 o
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-8 13 1 3359.94 3570.63 188.89 o
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