#------------------------------------------------------------------------------
#$Date: 2019-03-21 05:38:43 +0200 (Thu, 21 Mar 2019) $
#$Revision: 214249 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/15/2021540.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_2021540
_cell_angle_alpha                103.051
_cell_angle_beta                 110.504
_cell_angle_gamma                106.834
_cell_length_a                   10.7276
_cell_length_b                   11.6173
_cell_length_c                   12.5240
_exptl_crystal_F_000             682.00
_reflns_d_resolution_high        0.8393
_cod_data_source_file            qp3023nw2201sup5.hkl
_cod_data_source_block           nw2201
_shelx_title                     ' nw2201 in P-1                    P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            216.20
_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
3 0 0 2425.11 1872.06 57.51 o
4 0 0 6395.17 6386.70 172.98 o
5 0 0 3259.61 2911.43 63.63 o
6 0 0 111.81 134.77 12.88 o
7 0 0 3554.86 3586.69 81.03 o
8 0 0 0.90 2.57 7.29 o
9 0 0 2719.78 2723.30 106.03 o
10 0 0 435.44 427.62 47.42 o
-10 1 0 1091.57 1062.91 63.22 o
-9 1 0 1.42 -0.53 5.76 o
-7 1 0 522.56 343.77 26.78 o
-6 1 0 2034.28 1938.80 70.25 o
-5 1 0 2192.96 2032.31 69.81 o
-4 1 0 5145.72 5387.01 150.15 o
-3 1 0 14658.16 14549.75 371.43 o
-2 1 0 251.11 308.21 16.24 o
-1 1 0 37729.02 26460.01 680.07 o
0 1 0 1906.79 1978.75 51.37 o
1 1 0 6362.57 6334.89 158.49 o
2 1 0 10394.69 10299.68 182.69 o
3 1 0 397.14 363.34 25.68 o
4 1 0 17280.41 17021.74 495.89 o
5 1 0 405.96 382.12 16.76 o
6 1 0 4631.32 4563.26 95.15 o
7 1 0 91.32 108.32 15.15 o
8 1 0 3286.48 3205.72 84.73 o
9 1 0 1379.22 1335.12 74.20 o
10 1 0 1178.01 1070.82 68.49 o
-10 2 0 32.68 16.57 13.17 o
-9 2 0 2710.59 2675.50 100.98 o
-8 2 0 900.84 879.40 47.86 o
-7 2 0 1571.54 1501.51 63.22 o
-6 2 0 4719.91 4609.91 140.05 o
-5 2 0 486.54 446.06 27.66 o
-4 2 0 27881.93 27229.64 688.41 o
-3 2 0 448.67 453.97 23.71 o
-2 2 0 8019.22 7598.91 184.62 o
-1 2 0 2830.34 2837.07 75.95 o
0 2 0 4524.05 4797.91 86.77 o
1 2 0 13787.31 13610.85 199.11 o
2 2 0 481.85 410.09 13.83 o
3 2 0 16124.88 15844.70 281.26 o
4 2 0 217.97 254.12 12.19 o
5 2 0 5442.49 5188.47 87.68 o
6 2 0 1340.09 1286.92 41.13 o
7 2 0 5114.08 5038.49 113.64 o
8 2 0 2311.69 2216.27 100.10 o
9 2 0 815.58 653.73 52.68 o
10 2 0 826.36 839.44 62.78 o
-11 3 0 28.91 45.66 20.63 o
-10 3 0 1106.48 1127.01 63.66 o
-9 3 0 1830.24 1798.49 56.03 o
-8 3 0 1696.81 1679.76 72.44 o
-7 3 0 3170.58 3192.69 109.32 o
-6 3 0 653.61 693.24 38.20 o
-5 3 0 12109.32 11765.81 314.79 o
-4 3 0 2597.43 2729.94 87.37 o
-3 3 0 701.11 552.35 25.90 o
-2 3 0 5700.25 6128.41 114.83 o
-1 3 0 4284.08 3915.64 75.57 o
0 3 0 321.08 229.47 7.89 o
1 3 0 7122.82 7135.24 108.24 o
2 3 0 10826.22 10444.05 156.93 o
3 3 0 42.04 49.99 5.19 o
4 3 0 6042.84 5904.94 96.17 o
5 3 0 656.66 651.57 41.49 o
6 3 0 3831.69 3820.39 90.24 o
7 3 0 3274.32 3262.94 128.64 o
8 3 0 255.90 232.69 35.12 o
9 3 0 1308.29 1280.68 78.15 o
-11 4 0 1397.38 1284.19 71.56 o
-10 4 0 1496.82 1440.49 74.20 o
-9 4 0 1885.70 1736.84 79.03 o
-8 4 0 2408.36 2398.91 94.39 o
-7 4 0 318.96 300.05 50.49 o
-6 4 0 6781.28 6578.98 136.75 o
-5 4 0 1820.65 1710.94 66.73 o
-4 4 0 1963.16 1794.35 66.29 o
-3 4 0 546.38 488.00 18.19 o
-2 4 0 5958.56 5852.97 91.40 o
-1 4 0 6502.29 6356.91 98.55 o
0 4 0 121.27 133.35 7.10 o
1 4 0 5785.28 5253.42 83.27 o
2 4 0 493.60 548.68 14.83 o
3 4 0 8670.16 8647.27 134.58 o
4 4 0 2249.20 2167.61 99.22 o
5 4 0 1472.83 1432.50 44.41 o
6 4 0 2041.24 1941.43 90.00 o
7 4 0 255.08 234.01 35.12 o
8 4 0 1160.22 1184.53 74.64 o
9 4 0 0.43 -0.88 14.49 o
-11 5 0 908.91 947.45 62.78 o
-10 5 0 827.56 840.32 55.76 o
-9 5 0 2316.51 2270.71 96.59 o
-8 5 0 363.93 318.30 36.44 o
-7 5 0 5295.60 4869.82 157.62 o
-6 5 0 1245.57 1311.85 60.59 o
-5 5 0 6508.71 6300.21 185.71 o
-4 5 0 651.50 646.94 24.12 o
-3 5 0 6359.03 6007.93 118.40 o
-2 5 0 10328.87 10016.30 187.11 o
-1 5 0 13.49 30.32 7.15 o
0 5 0 5447.90 5240.11 84.44 o
1 5 0 2642.96 2588.01 46.33 o
2 5 0 4217.05 4223.57 70.88 o
3 5 0 2252.51 2218.80 62.34 o
4 5 0 779.93 745.14 29.64 o
5 5 0 2367.79 2276.86 99.22 o
6 5 0 434.26 465.82 50.05 o
7 5 0 1012.24 1061.60 69.37 o
8 5 0 5.50 19.32 17.12 o
-11 6 0 881.01 883.79 61.47 o
-10 6 0 2522.85 2576.28 109.32 o
-9 6 0 27.34 33.81 17.56 o
-8 6 0 1936.06 1741.23 79.91 o
-7 6 0 95.09 104.49 22.39 o
-6 6 0 7484.59 7293.32 216.89 o
-5 6 0 3273.10 3088.50 95.05 o
-4 6 0 1910.03 1861.57 48.84 o
-3 6 0 10672.71 10646.27 174.68 o
-2 6 0 25.75 35.83 5.54 o
-1 6 0 10156.78 10073.52 187.97 o
0 6 0 1109.24 1158.47 26.72 o
1 6 0 3982.14 3897.60 67.18 o
2 6 0 1742.55 1664.97 66.08 o
3 6 0 773.97 797.80 33.59 o
4 6 0 2460.21 2416.66 64.91 o
5 6 0 172.03 158.93 29.42 o
6 6 0 1899.43 1834.31 93.95 o
7 6 0 49.92 48.73 21.51 o
-11 7 0 1802.28 1776.79 90.88 o
-10 7 0 29.87 19.32 17.12 o
-9 7 0 2267.76 2137.24 96.15 o
-8 7 0 1324.15 1314.48 68.93 o
-7 7 0 1703.54 1564.74 73.32 o
-6 7 0 1948.18 1976.11 82.54 o
-5 7 0 1195.29 1059.28 52.25 o
-4 7 0 6619.11 6286.09 129.82 o
-3 7 0 30.67 27.95 5.89 o
-2 7 0 9900.64 9801.70 154.06 o
-1 7 0 817.61 830.77 27.77 o
0 7 0 5449.35 5324.04 97.44 o
1 7 0 4397.78 4241.40 94.34 o
2 7 0 1802.16 1696.30 49.44 o
3 7 0 2500.10 2549.18 82.98 o
4 7 0 200.01 169.47 29.85 o
5 7 0 2908.29 2948.59 126.88 o
6 7 0 183.25 141.81 31.61 o
-11 8 0 32.93 23.27 18.88 o
-10 8 0 870.11 873.69 59.71 o
-9 8 0 533.68 522.46 44.34 o
-8 8 0 951.59 874.13 55.76 o
-7 8 0 3931.45 3763.00 135.66 o
-6 8 0 4.05 -0.29 13.83 o
-5 8 0 2738.78 2776.23 71.38 o
-4 8 0 0.99 10.10 10.98 o
-3 8 0 7841.16 7602.52 176.05 o
-2 8 0 761.83 710.21 44.05 o
-1 8 0 3097.24 3075.65 70.92 o
0 8 0 2563.51 2376.13 73.98 o
1 8 0 562.62 509.81 25.63 o
2 8 0 7352.85 7476.72 157.27 o
3 8 0 21.61 26.78 15.81 o
4 8 0 2471.73 2386.18 108.88 o
5 8 0 203.44 223.47 37.76 o
-11 9 0 939.27 905.30 64.98 o
-10 9 0 741.58 774.03 57.95 o
-9 9 0 920.24 912.32 60.59 o
-8 9 0 2527.27 2495.94 107.56 o
-7 9 0 57.41 65.86 21.07 o
-6 9 0 3681.96 3575.54 89.66 o
-5 9 0 69.80 78.07 13.81 o
-4 9 0 4057.72 4078.22 95.40 o
-3 9 0 1821.80 1699.33 49.94 o
-2 9 0 1078.60 1070.50 60.77 o
0 9 0 253.56 215.75 19.24 o
1 9 0 5711.69 5807.51 128.30 o
2 9 0 34.61 24.15 15.37 o
3 9 0 1306.10 1454.10 79.91 o
4 9 0 408.72 412.26 49.17 o
-10 10 0 223.64 259.03 39.95 o
-9 10 0 790.46 783.68 58.83 o
-8 10 0 26.60 11.42 18.00 o
-7 10 0 5906.51 5696.97 191.42 o
-6 10 0 431.50 495.61 28.83 o
-5 10 0 1792.79 1701.83 55.10 o
-3 10 0 787.32 798.84 33.35 o
-2 10 0 2544.80 2609.65 95.71 o
-1 10 0 0.96 4.72 6.78 o
0 10 0 2884.16 2949.78 77.49 o
1 10 0 69.70 58.39 18.88 o
2 10 0 1259.97 1338.63 74.20 o
3 10 0 116.06 75.95 23.71 o
-10 11 0 882.08 977.74 69.37 o
-9 11 0 2.53 9.22 17.56 o
-8 11 0 1235.08 1298.68 77.27 o
-7 11 0 519.51 543.90 45.66 o
-6 11 0 1358.60 1375.99 51.22 o
-5 11 0 1409.26 1383.06 49.81 o
-4 11 0 19.16 25.46 14.93 o
-3 11 0 2863.35 2907.32 107.56 o
-2 11 0 61.61 53.56 18.44 o
-1 11 0 1301.52 1433.46 68.05 o
0 11 0 375.67 406.89 27.69 o
1 11 0 681.50 782.37 55.76 o
2 11 0 361.03 405.23 49.17 o
-9 12 0 875.46 968.08 69.81 o
-8 12 0 1514.18 1464.20 85.61 o
-7 12 0 1475.81 1509.83 57.10 o
-6 12 0 127.88 133.71 19.25 o
-5 12 0 244.18 220.40 32.49 o
-4 12 0 2052.89 2148.22 92.20 o
-3 12 0 48.69 40.83 17.56 o
-2 12 0 410.08 489.09 39.95 o
-1 12 0 515.88 519.82 40.83 o
-7 13 0 723.55 716.77 39.37 o
-6 13 0 493.99 496.55 50.05 o
-5 13 0 913.35 1012.42 62.34 o
-4 13 0 150.70 192.30 31.61 o
-3 13 0 1148.06 1242.92 68.49 o
-2 13 0 204.37 189.23 32.49 o
3 -13 1 1408.13 1466.83 73.32 o
4 -13 1 29.84 31.17 18.00 o
5 -13 1 1782.93 1935.28 89.56 o
6 -13 1 1.17 15.09 12.66 o
7 -13 1 1107.66 1195.06 76.39 o
-1 -12 1 365.74 354.74 42.59 o
0 -12 1 1142.65 1176.19 68.93 o
2 -12 1 1857.69 2012.99 86.05 o
3 -12 1 16.98 6.59 13.61 o
4 -12 1 1648.94 1752.64 79.47 o
5 -12 1 9.42 1.16 10.54 o
6 -12 1 522.80 570.72 33.42 o
7 -12 1 1056.17 1061.16 68.93 o
8 -12 1 496.64 489.53 55.76 o
9 -12 1 1319.63 1449.27 87.37 o
-2 -11 1 489.34 594.90 50.05 o
-1 -11 1 1348.68 1304.82 72.44 o
0 -11 1 165.88 179.13 28.98 o
1 -11 1 2830.06 2643.49 183.74 o
2 -11 1 16.86 21.95 14.49 o
3 -11 1 1263.61 1310.09 63.22 o
4 -11 1 78.01 88.64 17.12 o
5 -11 1 1343.84 1417.29 57.73 o
6 -11 1 1016.71 1003.64 63.66 o
7 -11 1 96.01 126.44 28.54 o
8 -11 1 1424.14 1518.64 85.17 o
9 -11 1 34.93 36.88 20.63 o
10 -11 1 810.55 885.10 67.17 o
-4 -10 1 557.21 570.75 52.25 o
-3 -10 1 330.53 321.82 41.27 o
-2 -10 1 2098.09 1997.19 93.52 o
-1 -10 1 332.51 380.21 42.15 o
0 -10 1 2955.66 3050.86 77.83 o
1 -10 1 226.32 224.76 19.86 o
2 -10 1 1028.93 1134.38 32.44 o
4 -10 1 2364.92 2307.62 64.94 o
5 -10 1 2277.99 2108.80 112.61 o
6 -10 1 82.86 120.74 26.34 o
7 -10 1 3706.65 3662.90 140.49 o
8 -10 1 130.35 110.20 27.22 o
9 -10 1 981.32 1003.64 66.29 o
10 -10 1 176.30 189.23 34.68 o
-5 -9 1 424.40 477.67 55.76 o
-4 -9 1 722.14 737.15 56.64 o
-3 -9 1 1844.29 1845.28 89.12 o
-2 -9 1 387.85 400.84 42.15 o
-1 -9 1 3534.25 3632.20 87.44 o
0 -9 1 49.33 52.83 10.71 o
1 -9 1 3187.81 3033.55 132.59 o
2 -9 1 702.49 655.18 23.57 o
3 -9 1 3456.47 3344.18 65.53 o
4 -9 1 4338.96 4226.45 97.72 o
5 -9 1 290.34 269.67 22.67 o
6 -9 1 3510.92 3508.80 129.96 o
7 -9 1 309.05 358.69 41.71 o
8 -9 1 2128.60 2255.34 102.30 o
9 -9 1 356.15 403.04 46.98 o
10 -9 1 865.84 827.15 61.03 o
11 -9 1 514.32 518.07 57.08 o
-6 -8 1 847.38 845.15 64.98 o
-5 -8 1 565.60 608.95 52.68 o
-4 -8 1 1944.79 2057.34 97.47 o
-3 -8 1 273.96 281.86 36.00 o
-2 -8 1 4772.19 4946.48 109.89 o
-1 -8 1 93.17 91.06 12.23 o
0 -8 1 4142.27 4051.07 73.14 o
1 -8 1 3560.65 3469.77 77.89 o
2 -8 1 1362.81 1363.25 39.72 o
3 -8 1 9345.39 9125.81 147.31 o
4 -8 1 59.44 64.04 11.80 o
5 -8 1 4187.58 3780.13 130.83 o
6 -8 1 22.55 50.93 18.00 o
7 -8 1 7389.65 7523.81 233.13 o
8 -8 1 1060.19 969.40 60.59 o
9 -8 1 462.27 444.31 48.29 o
10 -8 1 944.15 792.90 57.95 o
11 -8 1 129.47 120.74 28.98 o
-7 -7 1 511.27 599.29 55.32 o
-6 -7 1 228.82 191.42 34.25 o
-5 -7 1 2889.47 3043.42 126.88 o
-4 -7 1 33.16 43.90 17.12 o
-3 -7 1 3461.94 3541.29 129.96 o
-2 -7 1 501.36 453.71 28.98 o
-1 -7 1 5088.44 4957.23 84.16 o
0 -7 1 7019.96 7147.96 115.82 o
1 -7 1 1505.65 1461.76 39.70 o
2 -7 1 5973.56 5521.89 113.19 o
3 -7 1 90.22 95.88 9.13 o
4 -7 1 4019.27 3943.69 88.54 o
5 -7 1 913.70 965.89 52.68 o
6 -7 1 4003.13 3825.35 132.59 o
7 -7 1 1317.10 1168.28 62.34 o
8 -7 1 2775.18 2742.24 109.32 o
9 -7 1 2181.24 2345.79 101.42 o
10 -7 1 9.46 35.56 18.88 o
11 -7 1 1545.47 1622.25 86.49 o
-8 -6 1 837.92 1038.77 74.20 o
-6 -6 1 2620.64 2676.82 117.22 o
-5 -6 1 141.72 156.74 28.98 o
-4 -6 1 3180.57 3173.81 120.74 o
-3 -6 1 1409.61 1366.85 40.51 o
-2 -6 1 2584.46 2688.13 49.86 o
-1 -6 1 8523.65 8185.77 128.79 o
0 -6 1 1410.72 1399.62 33.43 o
1 -6 1 10186.70 9503.37 178.14 o
2 -6 1 13.35 24.94 5.13 o
3 -6 1 5626.82 5098.83 110.42 o
4 -6 1 988.33 890.81 45.66 o
5 -6 1 8387.23 7922.90 228.30 o
6 -6 1 909.19 907.93 50.49 o
7 -6 1 953.41 842.52 50.05 o
8 -6 1 1457.78 1413.27 70.69 o
9 -6 1 24.28 7.90 14.05 o
10 -6 1 2599.92 2443.69 104.93 o
11 -6 1 581.74 618.17 51.37 o
-8 -5 1 215.40 159.81 32.05 o
-7 -5 1 1516.09 1580.10 84.73 o
-6 -5 1 388.14 378.01 41.71 o
-5 -5 1 2351.72 2380.03 99.66 o
-4 -5 1 2268.31 2384.63 60.01 o
-3 -5 1 728.86 693.29 18.98 o
-2 -5 1 7937.10 7326.19 115.15 o
-1 -5 1 97.58 113.01 7.76 o
0 -5 1 6685.06 6400.57 101.23 o
2 -5 1 10089.28 10278.53 157.33 o
3 -5 1 5377.29 5316.54 149.71 o
4 -5 1 8889.71 8381.69 233.13 o
5 -5 1 3110.73 2823.46 97.91 o
6 -5 1 557.31 493.04 34.68 o
7 -5 1 4192.61 4052.33 136.98 o
8 -5 1 159.72 195.37 28.98 o
9 -5 1 3613.06 3507.04 129.52 o
10 -5 1 401.29 363.09 41.27 o
11 -5 1 1067.86 1195.06 69.81 o
-9 -4 1 15.97 -6.15 13.61 o
-8 -4 1 1612.45 1656.06 87.81 o
-7 -4 1 489.09 453.53 42.15 o
-6 -4 1 2148.95 2042.41 91.32 o
-5 -4 1 3197.76 3081.62 72.99 o
-4 -4 1 1806.00 1779.38 36.07 o
-3 -4 1 4265.07 3963.21 66.53 o
-2 -4 1 9.13 8.72 2.91 o
-1 -4 1 10256.10 9869.02 148.93 o
0 -4 1 662.70 685.11 16.41 o
1 -4 1 1688.46 1510.47 35.19 o
2 -4 1 975.68 954.58 76.39 o
3 -4 1 2263.51 1948.89 66.73 o
4 -4 1 11261.75 10524.64 283.62 o
5 -4 1 4.22 28.10 11.42 o
6 -4 1 6052.06 5917.81 177.81 o
7 -4 1 1323.23 1240.29 59.71 o
8 -4 1 2706.23 2625.01 101.42 o
9 -4 1 706.57 677.88 47.42 o
10 -4 1 720.63 793.78 53.56 o
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-3 -3 1 345.68 316.65 10.85 o
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3 -3 1 16875.63 15009.43 387.23 o
4 -3 1 649.60 572.07 30.73 o
5 -3 1 3804.09 3474.99 111.08 o
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10 -3 1 776.74 856.47 38.17 o
11 -3 1 49.53 76.39 23.27 o
-10 -2 1 2145.74 2094.22 102.74 o
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0 -2 1 8201.38 7920.70 210.74 o
1 -2 1 132.52 133.03 10.98 o
2 -2 1 40315.04 32742.66 846.03 o
3 -2 1 1221.41 1230.63 45.22 o
4 -2 1 6245.76 5730.34 161.13 o
5 -2 1 81.69 68.93 14.05 o
6 -2 1 3209.58 3312.55 108.00 o
7 -2 1 2106.50 2085.44 80.34 o
8 -2 1 755.88 793.34 47.42 o
9 -2 1 2048.85 2102.68 61.30 o
10 -2 1 57.99 50.49 19.76 o
11 -2 1 1016.06 1157.31 67.17 o
-10 -1 1 718.60 682.27 53.12 o
-9 -1 1 850.76 883.79 56.64 o
-8 -1 1 2562.07 2591.16 69.13 o
-7 -1 1 497.41 519.82 19.43 o
-6 -1 1 8868.08 9138.33 165.43 o
-5 -1 1 526.14 601.19 17.62 o
-4 -1 1 10930.86 10595.19 160.89 o
-3 -1 1 1727.60 1646.05 29.86 o
-2 -1 1 4967.39 4898.36 136.54 o
0 -1 1 507.41 654.17 21.07 o
2 -1 1 118.00 82.10 10.10 o
3 -1 1 6875.29 6014.40 162.01 o
6 -1 1 6465.40 5402.38 158.49 o
7 -1 1 1580.57 1568.97 46.09 o
8 -1 1 2440.30 2659.90 69.23 o
9 -1 1 7.01 8.78 13.17 o
10 -1 1 1356.00 1359.70 68.93 o
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-10 0 1 153.79 173.42 29.42 o
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-8 0 1 29.02 35.44 9.92 o
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