#------------------------------------------------------------------------------
#$Date: 2019-03-21 05:38:43 +0200 (Thu, 21 Mar 2019) $
#$Revision: 214249 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/15/2021541.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_2021541
_cell_angle_alpha                102.970
_cell_angle_beta                 110.498
_cell_angle_gamma                106.944
_cell_length_a                   10.7235
_cell_length_b                   11.6222
_cell_length_c                   12.5150
_exptl_crystal_F_000             684.00
_reflns_d_resolution_high        0.8393
_cod_data_source_file            qp3023nw2202sup6.hkl
_cod_data_source_block           nw2202
_shelx_title                     ' nw2202 in P1                     P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            216.84
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0 0 215.24 375.24 15.66 o
2 0 0 3185.28 2999.96 89.04 o
3 0 0 2569.10 2313.57 77.79 o
4 0 0 6540.07 6662.35 194.22 o
5 0 0 3472.30 3107.59 111.06 o
6 0 0 90.95 157.04 26.91 o
7 0 0 3924.35 4037.62 149.70 o
8 0 0 2.36 6.85 13.21 o
9 0 0 2922.21 2892.82 130.62 o
10 0 0 479.41 584.63 66.05 o
-11 1 0 103.76 161.45 35.71 o
-10 1 0 1217.35 1179.54 80.23 o
-9 1 0 3.38 -1.47 14.68 o
-8 1 0 3976.76 3943.69 152.64 o
-7 1 0 608.98 559.19 45.50 o
-6 1 0 2179.03 1972.58 85.62 o
-5 1 0 2323.41 2175.12 85.62 o
-4 1 0 5503.68 5609.03 168.30 o
-3 1 0 15075.22 15484.15 407.04 o
-2 1 0 241.49 298.92 20.06 o
-1 1 0 38605.31 31752.06 817.02 o
1 1 0 6694.26 7064.30 133.61 o
2 1 0 10537.69 10834.86 206.94 o
3 1 0 398.28 371.07 19.27 o
4 1 0 17790.66 17897.53 476.51 o
5 1 0 418.83 423.67 34.74 o
6 1 0 4830.35 4964.71 167.81 o
7 1 0 124.06 165.36 29.84 o
8 1 0 3463.75 3477.45 143.34 o
9 1 0 1571.09 1400.18 87.08 o
10 1 0 1303.01 1338.54 89.53 o
-11 2 0 836.00 843.92 71.43 o
-10 2 0 32.33 39.14 22.99 o
-9 2 0 3013.07 2947.62 130.14 o
-8 2 0 952.03 1027.38 65.56 o
-7 2 0 1700.88 1598.32 80.23 o
-6 2 0 4849.86 5199.54 171.72 o
-5 2 0 559.07 467.70 35.71 o
-4 2 0 28812.30 28899.35 748.03 o
-3 2 0 475.95 461.34 28.38 o
-2 2 0 8312.70 8386.39 224.56 o
0 2 0 4745.03 4927.53 139.43 o
1 2 0 13292.45 14454.36 268.97 o
2 2 0 512.75 405.47 18.35 o
3 2 0 16361.20 16600.98 316.53 o
4 2 0 211.45 257.20 21.31 o
5 2 0 5796.19 5778.12 133.90 o
6 2 0 1406.85 1394.80 72.41 o
7 2 0 5247.10 5032.72 180.04 o
8 2 0 2445.92 2233.83 109.10 o
9 2 0 877.92 797.45 64.58 o
10 2 0 946.09 881.59 72.41 o
-11 3 0 35.20 19.57 20.06 o
-10 3 0 1237.97 1206.44 79.74 o
-9 3 0 1924.76 1792.05 95.40 o
-8 3 0 1835.09 1790.58 90.51 o
-7 3 0 3252.11 3254.85 127.20 o
-6 3 0 764.13 782.28 50.39 o
-5 3 0 12661.71 12868.24 356.65 o
-4 3 0 2621.42 2470.13 87.57 o
-3 3 0 739.80 660.46 35.22 o
1 3 0 7341.92 7894.58 221.13 o
2 3 0 11104.61 11311.27 221.17 o
3 3 0 31.87 40.51 9.48 o
4 3 0 6342.21 6315.40 188.60 o
5 3 0 702.98 693.65 46.48 o
6 3 0 4060.65 3800.83 142.37 o
7 3 0 3547.43 3333.13 136.98 o
8 3 0 311.81 346.86 48.43 o
9 3 0 1470.51 1482.37 91.98 o
-11 4 0 1532.89 1477.97 92.95 o
-10 4 0 1531.86 1413.88 87.08 o
-9 4 0 1996.57 1926.59 98.34 o
-8 4 0 2501.86 2364.94 107.14 o
-7 4 0 344.18 340.50 40.61 o
-6 4 0 7053.43 6768.02 210.37 o
-5 4 0 1843.00 1893.32 77.79 o
-4 4 0 2050.16 2000.95 77.30 o
-3 4 0 531.72 366.43 25.44 o
-1 4 0 6508.22 6413.40 261.98 o
0 4 0 97.41 113.01 18.10 o
1 4 0 6019.19 5781.56 121.68 o
2 4 0 499.25 541.90 25.27 o
3 4 0 9092.70 9308.78 193.80 o
4 4 0 2331.47 2336.18 69.22 o
5 4 0 1577.33 1513.27 56.28 o
6 4 0 2147.78 2100.48 73.49 o
7 4 0 258.82 229.94 38.16 o
8 4 0 1380.10 1536.18 91.49 o
9 4 0 0.18 -9.78 12.23 o
-11 5 0 938.96 961.83 73.87 o
-10 5 0 885.56 804.78 63.60 o
-9 5 0 2478.92 2375.22 112.52 o
-8 5 0 407.73 428.08 47.94 o
-7 5 0 5323.37 5276.84 178.57 o
-6 5 0 1265.78 1322.39 66.05 o
-5 5 0 6480.22 6435.83 197.65 o
-4 5 0 635.36 655.57 40.12 o
-2 5 0 10389.89 9517.39 879.88 o
-1 5 0 14.40 25.34 7.70 o
0 5 0 5642.09 5536.79 139.19 o
1 5 0 2552.01 2748.00 69.86 o
2 5 0 4532.45 4537.54 108.36 o
3 5 0 2308.00 2186.17 65.48 o
4 5 0 853.86 841.08 39.90 o
5 5 0 2530.03 2602.49 82.37 o
6 5 0 458.14 468.72 54.06 o
7 5 0 1153.01 1242.65 79.26 o
8 5 0 4.49 -11.74 13.70 o
-11 6 0 951.65 914.37 71.92 o
-10 6 0 2651.39 2672.18 126.71 o
-9 6 0 27.66 15.66 19.08 o
-8 6 0 1960.82 1892.34 92.95 o
-7 6 0 91.79 113.99 25.93 o
-6 6 0 7514.51 7777.79 238.74 o
-5 6 0 3288.61 3218.16 116.44 o
-2 6 0 19.46 21.96 6.10 o
-1 6 0 10592.83 10392.79 164.77 o
0 6 0 1092.25 1161.91 32.65 o
1 6 0 4148.03 3758.54 91.93 o
2 6 0 1774.19 1729.96 55.72 o
3 6 0 853.24 823.85 38.32 o
4 6 0 2580.33 2699.57 82.54 o
5 6 0 167.96 163.66 44.76 o
6 6 0 2107.79 2110.74 77.59 o
7 6 0 57.36 47.73 28.86 o
-11 7 0 1880.08 2051.83 112.52 o
-10 7 0 27.62 28.86 20.55 o
-9 7 0 2360.62 2393.81 113.01 o
-8 7 0 1264.97 1314.56 76.32 o
-7 7 0 1750.53 1643.33 82.19 o
-6 7 0 2034.13 2242.15 96.38 o
-5 7 0 1216.05 1214.27 63.60 o
-3 7 0 26.28 36.45 7.68 o
-2 7 0 10181.49 10168.53 164.79 o
-1 7 0 850.55 847.37 24.84 o
0 7 0 5563.53 5865.39 198.63 o
1 7 0 4366.73 2775.41 101.76 o
2 7 0 1824.93 1766.53 59.61 o
3 7 0 2612.08 2574.52 78.99 o
4 7 0 198.10 151.40 22.33 o
5 7 0 3118.48 3054.46 96.47 o
6 7 0 213.01 189.68 27.74 o
-11 8 0 35.50 41.58 25.44 o
-10 8 0 914.03 946.17 70.45 o
-9 8 0 533.42 625.24 62.62 o
-8 8 0 1020.07 941.77 63.60 o
-7 8 0 4067.36 3805.73 144.81 o
-6 8 0 4.41 16.14 15.66 o
-4 8 0 1.17 9.85 8.22 o
-3 8 0 7892.87 7846.86 228.76 o
-2 8 0 751.01 822.43 43.30 o
-1 8 0 3301.86 3285.34 87.00 o
0 8 0 2585.92 2252.42 105.18 o
1 8 0 539.06 606.16 62.62 o
2 8 0 7421.68 7554.39 173.07 o
3 8 0 23.68 68.95 31.80 o
4 8 0 2623.12 2553.81 85.31 o
5 8 0 243.08 223.00 29.97 o
-11 9 0 1018.39 1065.06 78.28 o
-10 9 0 739.20 806.25 66.05 o
-9 9 0 968.94 1082.67 73.38 o
-8 9 0 2558.50 2630.59 117.42 o
-7 9 0 56.92 67.02 22.99 o
-6 9 0 3741.66 3714.15 96.96 o
-5 9 0 64.44 60.95 13.32 o
-4 9 0 4211.63 4218.14 84.85 o
-3 9 0 1830.93 1772.95 100.54 o
-2 9 0 1168.53 1222.92 48.03 o
-1 9 0 1501.94 1552.08 78.28 o
0 9 0 270.04 244.75 25.15 o
2 9 0 51.91 37.75 18.35 o
3 9 0 1444.29 1568.14 70.20 o
4 9 0 425.88 436.12 39.46 o
-10 10 0 252.55 236.31 29.75 o
-9 10 0 818.12 865.66 76.08 o
-8 10 0 20.93 9.61 13.48 o
-7 10 0 5987.67 6170.89 147.31 o
-6 10 0 393.09 367.63 28.30 o
-5 10 0 1776.29 1861.42 51.16 o
-4 10 0 2164.51 2176.75 143.59 o
-3 10 0 847.65 940.23 59.20 o
-2 10 0 2517.60 2636.33 80.66 o
-1 10 0 1.33 3.85 11.03 o
0 10 0 2918.57 2865.42 134.54 o
1 10 0 89.25 139.43 37.67 o
2 10 0 1379.67 1606.14 103.72 o
3 10 0 117.00 136.98 42.56 o
-10 11 0 842.08 898.23 69.96 o
-9 11 0 1.40 -10.27 14.68 o
-8 11 0 1268.65 1227.97 75.83 o
-7 11 0 508.73 545.00 54.79 o
-6 11 0 1434.44 1560.78 59.28 o
-5 11 0 1356.97 1451.06 87.57 o
-4 11 0 27.52 -1.96 18.10 o
-3 11 0 2775.77 2801.82 133.07 o
-2 11 0 64.70 70.94 30.33 o
-1 11 0 1282.95 1542.54 95.89 o
0 11 0 375.15 375.24 56.75 o
1 11 0 728.48 800.87 84.15 o
2 11 0 393.26 400.68 64.09 o
-9 12 0 863.19 899.21 68.00 o
-8 12 0 1431.58 1460.35 84.64 o
-7 12 0 1454.78 1603.70 96.87 o
-6 12 0 103.19 97.36 31.31 o
-5 12 0 231.85 208.41 42.56 o
-4 12 0 2052.39 2334.61 121.82 o
-3 12 0 49.33 41.58 27.89 o
-2 12 0 419.68 555.77 68.00 o
-1 12 0 491.13 433.95 61.15 o
0 12 0 837.54 920.24 80.23 o
-6 13 0 493.42 508.31 65.07 o
-5 13 0 854.76 908.01 76.32 o
-4 13 0 140.69 181.50 45.01 o
-3 13 0 1110.10 1151.65 90.02 o
-2 13 0 203.05 266.63 51.86 o
1 -13 1 733.71 663.40 78.28 o
2 -13 1 418.08 442.26 62.13 o
3 -13 1 1455.18 1661.43 105.18 o
4 -13 1 27.09 24.46 25.93 o
5 -13 1 1781.86 1924.63 109.10 o
-1 -12 1 375.41 355.67 58.71 o
0 -12 1 1222.52 1274.45 90.02 o
1 -12 1 338.01 284.73 49.90 o
2 -12 1 1880.56 2090.48 114.48 o
3 -12 1 15.83 0.98 21.53 o
4 -12 1 1708.88 1837.06 103.23 o
5 -12 1 7.73 21.53 21.53 o
7 -12 1 1039.66 1076.80 68.98 o
8 -12 1 461.07 475.04 54.79 o
9 -12 1 1311.43 1367.40 85.13 o
-2 -11 1 510.34 480.42 66.05 o
-1 -11 1 1474.83 1348.32 91.98 o
0 -11 1 177.39 160.64 25.93 o
1 -11 1 2826.32 2886.95 134.54 o
2 -11 1 14.76 3.79 6.96 o
4 -11 1 79.56 53.82 24.46 o
5 -11 1 1329.93 1327.95 175.88 o
6 -11 1 1017.39 1056.24 40.13 o
7 -11 1 78.66 88.95 18.67 o
8 -11 1 1484.77 1617.89 94.42 o
9 -11 1 52.38 122.80 33.76 o
10 -11 1 806.10 891.87 73.87 o
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0 -10 1 3009.27 3247.28 138.21 o
1 -10 1 209.26 249.95 26.08 o
2 -10 1 1099.49 1208.89 75.34 o
3 -10 1 615.70 266.14 35.71 o
4 -10 1 2387.64 2200.07 126.96 o
5 -10 1 2285.41 2234.16 90.37 o
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8 -10 1 105.72 86.59 29.84 o
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10 -10 1 204.60 184.44 40.12 o
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-1 -9 1 3711.87 3574.92 99.19 o
0 -9 1 47.71 51.59 13.92 o
1 -9 1 3237.09 3264.39 92.95 o
2 -9 1 732.57 839.68 78.03 o
3 -9 1 3405.82 3399.83 70.85 o
4 -9 1 4536.46 4597.35 115.18 o
5 -9 1 264.77 259.29 37.67 o
6 -9 1 3641.95 3718.64 144.81 o
7 -9 1 322.61 420.25 50.88 o
8 -9 1 2322.34 2424.63 115.46 o
9 -9 1 353.75 336.59 48.43 o
10 -9 1 915.85 841.97 69.47 o
11 -9 1 574.16 666.33 74.36 o
-6 -8 1 931.55 893.40 53.61 o
-5 -8 1 611.21 623.81 42.62 o
-4 -8 1 2052.83 2060.55 73.84 o
-3 -8 1 260.13 234.75 26.40 o
-2 -8 1 4994.67 4908.17 123.38 o
-1 -8 1 96.71 113.68 17.72 o
0 -8 1 4255.77 4151.90 103.88 o
1 -8 1 3719.58 3735.58 97.11 o
2 -8 1 1362.72 1345.44 50.96 o
3 -8 1 9409.41 9092.60 192.45 o
4 -8 1 37.92 72.90 20.55 o
5 -8 1 4256.82 4333.61 156.06 o
6 -8 1 32.81 52.84 20.55 o
7 -8 1 7695.16 7934.83 256.85 o
8 -8 1 1220.31 1157.03 73.87 o
9 -8 1 510.34 545.98 60.66 o
10 -8 1 1004.76 1023.47 76.81 o
11 -8 1 137.42 107.63 33.27 o
-7 -7 1 576.59 596.68 50.15 o
-6 -7 1 242.93 234.79 30.15 o
-5 -7 1 3100.59 3090.87 96.33 o
-4 -7 1 34.89 29.38 12.52 o
-3 -7 1 3612.45 3456.62 140.90 o
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-1 -7 1 5127.40 5116.29 120.35 o
0 -7 1 7141.43 7242.02 156.49 o
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2 -7 1 6160.70 5802.71 128.97 o
3 -7 1 112.82 116.34 15.37 o
4 -7 1 4230.27 4065.02 141.39 o
5 -7 1 925.81 989.71 59.69 o
6 -7 1 4135.67 4066.49 149.70 o
7 -7 1 1391.24 1211.82 71.92 o
8 -7 1 2767.79 2923.15 127.20 o
9 -7 1 2296.97 2429.03 117.42 o
10 -7 1 3.64 -3.91 16.63 o
11 -7 1 1664.05 1900.17 111.06 o
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-2 -6 1 2759.70 2722.99 74.58 o
-1 -6 1 8615.41 8650.61 180.33 o
0 -6 1 1378.79 1340.06 38.41 o
1 -6 1 10297.35 10464.66 165.34 o
2 -6 1 21.20 19.32 7.96 o
3 -6 1 5808.26 5506.29 170.25 o
4 -6 1 1113.45 1108.60 58.71 o
5 -6 1 8750.43 8772.40 262.72 o
6 -6 1 1040.12 1100.77 64.58 o
7 -6 1 959.79 861.05 58.22 o
8 -6 1 1542.69 1520.53 84.64 o
9 -6 1 29.45 -1.96 16.14 o
10 -6 1 2675.54 2611.51 127.69 o
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6 -5 1 568.51 498.53 42.07 o
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8 -5 1 196.92 217.22 38.16 o
9 -5 1 3821.15 3746.53 154.60 o
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-10 -1 1 757.03 757.82 64.09 o
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-8 -1 1 2780.47 2771.98 120.84 o
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0 -1 1 561.19 768.58 25.93 o
1 -1 1 8414.79 10370.16 295.25 o
2 -1 1 126.01 106.65 15.17 o
3 -1 1 7137.30 7356.56 209.39 o
4 -1 1 903.26 850.28 45.99 o
5 -1 1 6639.85 6889.84 211.35 o
6 -1 1 6922.50 6794.44 216.24 o
7 -1 1 1601.36 1484.33 78.28 o
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