#------------------------------------------------------------------------------
#$Date: 2019-03-21 05:38:43 +0200 (Thu, 21 Mar 2019) $
#$Revision: 214249 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/15/2021542.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_2021542
_cell_angle_alpha                102.958
_cell_angle_beta                 110.528
_cell_angle_gamma                106.984
_cell_length_a                   10.7193
_cell_length_b                   11.6076
_cell_length_c                   12.5110
_exptl_crystal_F_000             686.00
_reflns_d_resolution_high        0.8396
_cod_data_source_file            qp3023nw2203sup7.hkl
_cod_data_source_block           nw2203
_shelx_title                     ' nw2203 in P1                     P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            217.87
_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 0 231.00 354.18 18.94 o
2 0 0 3370.78 3001.61 78.36 o
3 0 0 2693.51 2443.35 66.79 o
4 0 0 6563.30 6192.06 140.12 o
5 0 0 3616.84 3194.39 95.25 o
6 0 0 113.73 118.30 29.63 o
7 0 0 3992.14 3925.10 124.21 o
8 0 0 3.23 -36.97 25.84 o
9 0 0 2703.29 2983.52 168.57 o
10 0 0 470.61 485.81 86.18 o
-11 1 0 99.92 76.23 56.35 o
-10 1 0 1146.67 1252.41 132.11 o
-9 1 0 5.45 62.50 45.46 o
-8 1 0 3843.31 3926.73 185.14 o
-7 1 0 571.54 543.07 92.10 o
-6 1 0 2225.17 2192.01 198.87 o
-5 1 0 2381.06 2100.56 115.53 o
-4 1 0 5721.73 5756.93 102.70 o
-3 1 0 15650.47 15507.17 342.81 o
-2 1 0 224.78 249.53 27.46 o
-1 1 0 39678.68 38648.41 931.85 o
1 1 0 7076.16 7242.79 141.81 o
3 1 0 443.67 402.22 36.22 o
4 1 0 18061.52 17880.03 347.39 o
5 1 0 416.99 395.82 39.25 o
6 1 0 4878.24 4581.33 132.92 o
7 1 0 138.22 77.37 33.09 o
8 1 0 3225.23 3378.13 189.87 o
9 1 0 1505.15 1641.15 124.06 o
10 1 0 1161.32 1152.02 127.84 o
-11 2 0 770.84 763.28 112.69 o
-10 2 0 37.78 77.18 47.35 o
-9 2 0 2949.80 2793.64 160.52 o
-8 2 0 864.17 1131.66 111.27 o
-7 2 0 1781.54 1654.80 92.33 o
-6 2 0 4733.97 4761.60 114.53 o
-5 2 0 577.13 513.66 30.89 o
-4 2 0 28964.50 29594.03 585.78 o
-3 2 0 478.01 410.52 39.77 o
-2 2 0 8683.22 8795.31 168.83 o
-1 2 0 2984.14 3019.85 64.15 o
0 2 0 5106.45 5520.52 158.62 o
1 2 0 12804.35 12928.92 194.97 o
2 2 0 540.25 471.89 23.28 o
3 2 0 16668.51 16036.46 305.80 o
4 2 0 215.03 242.59 25.96 o
5 2 0 5963.10 5643.33 147.47 o
6 2 0 1398.46 1482.42 74.15 o
7 2 0 5119.51 5027.00 153.50 o
8 2 0 2302.71 2284.53 104.94 o
9 2 0 824.05 692.07 73.55 o
10 2 0 861.62 963.57 123.11 o
-11 3 0 26.08 50.19 47.35 o
-10 3 0 1195.42 1225.42 124.53 o
-9 3 0 1773.53 1768.99 125.48 o
-8 3 0 1773.18 1850.43 121.22 o
-7 3 0 3240.69 3235.66 102.61 o
-6 3 0 792.26 817.96 54.07 o
-5 3 0 13001.80 11629.18 1252.88 o
-4 3 0 2538.91 2678.00 169.28 o
-3 3 0 870.19 777.61 38.43 o
-2 3 0 5867.64 6037.79 125.93 o
-1 3 0 4654.97 4660.73 96.25 o
0 3 0 447.68 388.27 44.98 o
1 3 0 7611.83 7994.12 130.88 o
2 3 0 11671.65 11517.05 184.94 o
3 3 0 30.29 55.31 14.87 o
4 3 0 6508.60 6252.06 122.55 o
5 3 0 691.63 492.71 94.46 o
6 3 0 4028.56 3944.25 198.40 o
7 3 0 3373.37 3505.29 125.80 o
8 3 0 330.47 378.49 56.18 o
9 3 0 1456.04 1386.88 162.41 o
-11 4 0 1407.57 1499.57 151.52 o
-10 4 0 1442.50 1528.45 125.95 o
-9 4 0 1997.60 1946.55 130.69 o
-8 4 0 2362.36 2504.98 96.34 o
-7 4 0 315.36 283.02 38.62 o
-5 4 0 1799.38 1861.16 69.63 o
-4 4 0 2263.44 1999.16 100.62 o
-3 4 0 616.43 564.48 33.80 o
-2 4 0 6184.49 6461.63 135.30 o
-1 4 0 6842.61 7038.81 140.27 o
0 4 0 89.48 186.09 38.83 o
1 4 0 6241.41 6217.98 110.42 o
2 4 0 532.01 551.11 29.55 o
3 4 0 9154.94 8951.14 158.23 o
4 4 0 2376.49 2354.46 211.18 o
5 4 0 1605.30 1615.26 76.68 o
6 4 0 2103.75 2227.06 95.68 o
7 4 0 281.11 312.04 83.81 o
8 4 0 1415.29 1455.06 167.15 o
-11 5 0 866.03 944.63 117.43 o
-10 5 0 800.25 975.88 115.53 o
-9 5 0 2312.66 2291.26 142.05 o
-8 5 0 418.44 535.41 55.39 o
-7 5 0 5269.66 5101.44 225.86 o
-6 5 0 1200.86 1194.38 64.46 o
-5 5 0 6623.84 6570.97 272.03 o
-4 5 0 659.43 647.18 41.57 o
-3 5 0 6568.08 6692.69 148.40 o
-2 5 0 10667.82 10896.66 214.79 o
-1 5 0 13.95 11.84 30.30 o
0 5 0 5903.12 5618.14 140.77 o
1 5 0 2467.62 2622.00 60.80 o
2 5 0 4693.72 4694.63 96.67 o
3 5 0 2293.47 2202.96 63.95 o
4 5 0 832.31 845.20 107.01 o
5 5 0 2495.46 2515.23 162.88 o
6 5 0 480.18 392.53 93.75 o
7 5 0 1136.70 1075.32 142.52 o
8 5 0 8.98 91.86 80.97 o
-11 6 0 925.00 1186.59 134.00 o
-10 6 0 2391.26 2709.83 163.83 o
-9 6 0 13.61 26.82 22.58 o
-8 6 0 1916.85 1766.04 87.03 o
-7 6 0 100.22 53.69 33.14 o
-6 6 0 7569.86 7899.12 306.12 o
-5 6 0 3189.11 3298.29 102.61 o
-4 6 0 2147.97 2177.31 75.24 o
-3 6 0 10926.62 10675.54 220.13 o
-2 6 0 12.23 46.65 15.35 o
-1 6 0 10790.33 10665.57 338.55 o
0 6 0 1087.66 1087.84 63.01 o
1 6 0 4299.41 4147.37 124.46 o
2 6 0 1773.37 1873.55 83.45 o
3 6 0 904.98 656.74 92.81 o
4 6 0 2825.41 2626.97 171.41 o
5 6 0 166.78 182.77 76.71 o
6 6 0 2000.35 1862.27 161.94 o
7 6 0 51.62 -90.91 60.61 o
-11 7 0 1646.81 1849.49 145.36 o
-10 7 0 15.98 3.79 43.56 o
-9 7 0 2358.84 2416.88 105.61 o
-8 7 0 1224.75 1327.94 81.53 o
-7 7 0 1826.95 1864.48 85.89 o
-6 7 0 2008.84 2072.21 84.89 o
-5 7 0 1227.90 1214.63 89.02 o
-4 7 0 6794.61 6762.26 162.02 o
-3 7 0 18.87 23.20 45.46 o
-2 7 0 10373.64 10882.43 360.81 o
-1 7 0 805.63 777.43 61.75 o
0 7 0 5668.81 5898.67 164.70 o
1 7 0 4384.07 4174.49 135.38 o
2 7 0 1764.49 1727.22 152.70 o
3 7 0 2705.73 2693.26 166.67 o
4 7 0 182.44 184.66 68.18 o
5 7 0 3022.16 3232.58 208.34 o
6 7 0 231.99 325.77 100.86 o
-11 8 0 23.28 46.40 47.35 o
-10 8 0 886.17 912.50 100.86 o
-9 8 0 546.70 575.39 62.18 o
-8 8 0 1024.68 1037.38 77.22 o
-7 8 0 3863.67 4075.22 133.22 o
-6 8 0 6.21 -22.49 22.40 o
-5 8 0 2974.14 2861.80 97.56 o
-4 8 0 0.82 -45.93 50.19 o
-3 8 0 7913.84 7604.87 294.04 o
-2 8 0 638.20 665.88 74.81 o
-1 8 0 3527.55 3317.22 151.76 o
0 8 0 2628.86 2495.12 146.07 o
1 8 0 556.40 572.63 62.85 o
2 8 0 7323.03 7353.21 204.84 o
3 8 0 27.02 7.58 56.82 o
4 8 0 2479.98 2424.79 181.35 o
5 8 0 213.18 140.16 80.02 o
-11 9 0 938.46 1086.21 124.53 o
-10 9 0 648.11 755.13 73.96 o
-9 9 0 921.30 1014.05 82.69 o
-8 9 0 2419.95 2695.95 111.26 o
-7 9 0 64.27 41.12 30.75 o
-6 9 0 3596.75 3556.92 203.60 o
-5 9 0 64.68 69.13 62.03 o
-4 9 0 4291.64 4323.99 223.49 o
-3 9 0 1720.26 1791.85 92.15 o
-2 9 0 1242.10 1227.62 80.29 o
-1 9 0 1531.09 1478.59 91.24 o
0 9 0 267.00 276.54 50.35 o
1 9 0 5720.80 5743.14 179.95 o
2 9 0 46.24 3.31 53.51 o
3 9 0 1392.01 1372.20 157.68 o
4 9 0 357.54 336.66 97.07 o
-10 10 0 231.78 212.60 74.81 o
-9 10 0 765.51 705.99 111.75 o
-8 10 0 8.60 51.14 62.98 o
-7 10 0 5685.49 5933.89 282.21 o
-6 10 0 316.81 362.70 90.44 o
-5 10 0 1888.47 1756.21 170.93 o
-4 10 0 2103.45 1917.20 160.04 o
-3 10 0 928.46 996.24 132.58 o
-2 10 0 2452.03 2511.50 113.32 o
-1 10 0 2.05 9.60 36.35 o
0 10 0 2911.75 3036.69 162.41 o
1 10 0 77.12 80.02 65.34 o
2 10 0 1402.11 1490.10 158.62 o
3 10 0 101.72 3.31 56.35 o
-10 11 0 799.44 762.33 122.64 o
-9 11 0 2.11 -48.77 50.66 o
-8 11 0 1224.45 1572.02 171.41 o
-7 11 0 407.69 249.53 83.81 o
-6 11 0 1461.51 1548.82 167.62 o
-5 11 0 1332.43 1162.91 143.47 o
-4 11 0 46.48 72.92 70.08 o
-3 11 0 2802.86 2996.30 200.29 o
-2 11 0 56.36 88.04 57.29 o
-1 11 0 1299.60 1368.43 101.92 o
0 11 0 350.66 407.02 95.65 o
1 11 0 758.10 835.73 122.64 o
2 11 0 363.25 300.20 86.65 o
-9 12 0 771.20 810.16 132.11 o
-8 12 0 1272.44 1222.10 156.73 o
-7 12 0 1406.03 1551.18 175.19 o
-6 12 0 125.89 157.20 82.86 o
-5 12 0 189.21 300.67 96.12 o
-4 12 0 1968.94 1659.14 178.51 o
-3 12 0 62.31 93.28 78.60 o
-2 12 0 459.85 565.83 74.11 o
-1 12 0 484.79 475.09 70.24 o
0 12 0 878.40 991.98 131.63 o
-7 13 0 643.87 807.32 138.74 o
-6 13 0 433.97 326.24 102.28 o
-5 13 0 802.99 850.88 142.52 o
-4 13 0 142.52 144.42 86.65 o
-3 13 0 1066.39 1352.31 171.41 o
-2 13 0 167.39 170.16 57.88 o
1 -13 1 749.65 764.02 146.31 o
2 -13 1 380.95 414.11 67.53 o
3 -13 1 1393.45 1258.56 165.25 o
4 -13 1 29.05 -88.78 59.19 o
5 -13 1 1672.05 1696.07 187.98 o
6 -13 1 7.50 -26.04 60.61 o
7 -13 1 1089.79 962.62 143.47 o
-1 -12 1 394.94 384.01 93.28 o
0 -12 1 1284.43 1253.62 105.43 o
1 -12 1 341.88 388.16 64.39 o
2 -12 1 1819.25 2095.78 112.92 o
3 -12 1 26.18 87.60 76.71 o
4 -12 1 1585.82 1492.47 175.19 o
5 -12 1 4.20 -1.42 64.87 o
6 -12 1 471.52 465.45 107.01 o
7 -12 1 1042.60 871.24 135.42 o
8 -12 1 433.72 520.85 108.90 o
9 -12 1 1236.77 1214.05 157.68 o
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0 -11 1 180.73 220.98 56.29 o
1 -11 1 2995.79 2941.82 176.38 o
2 -11 1 9.98 35.03 37.41 o
3 -11 1 1335.59 1056.34 324.11 o
4 -11 1 94.80 121.69 76.71 o
5 -11 1 1348.42 1532.72 166.20 o
6 -11 1 1083.58 854.19 127.37 o
7 -11 1 78.26 75.29 70.08 o
8 -11 1 1324.59 1331.95 158.62 o
9 -11 1 46.95 107.01 68.66 o
10 -11 1 737.69 876.45 128.79 o
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0 -10 1 3038.49 3093.41 230.59 o
1 -10 1 202.02 190.55 48.77 o
2 -10 1 1205.47 1213.10 143.00 o
3 -10 1 785.80 831.46 122.64 o
4 -10 1 2256.75 2361.34 175.67 o
5 -10 1 2411.23 2197.51 167.62 o
6 -10 1 65.31 192.71 75.76 o
7 -10 1 3615.94 3893.58 223.97 o
8 -10 1 92.20 14.68 60.61 o
9 -10 1 931.41 993.87 129.27 o
10 -10 1 197.30 190.52 46.51 o
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-3 -9 1 2036.46 2336.24 165.25 o
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-1 -9 1 3773.81 3705.66 139.21 o
0 -9 1 53.61 10.87 42.14 o
1 -9 1 3371.85 3231.63 187.03 o
2 -9 1 791.51 830.52 116.48 o
3 -9 1 3313.00 3322.07 195.56 o
4 -9 1 4690.78 4208.93 219.70 o
5 -9 1 258.95 342.81 89.02 o
6 -9 1 3555.65 3552.66 204.08 o
7 -9 1 336.59 444.72 54.05 o
8 -9 1 2185.43 2278.06 103.75 o
9 -9 1 399.35 474.82 58.74 o
10 -9 1 862.04 835.41 77.67 o
11 -9 1 510.17 609.87 101.80 o
-6 -8 1 899.21 793.11 135.89 o
-5 -8 1 497.06 666.21 116.95 o
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-3 -8 1 251.63 241.48 70.08 o
-2 -8 1 5153.47 5462.47 168.13 o
-1 -8 1 137.71 125.25 40.26 o
0 -8 1 4247.46 4435.74 201.71 o
1 -8 1 3908.18 4332.52 207.39 o
2 -8 1 1399.38 1600.43 131.16 o
3 -8 1 9394.00 9725.20 348.50 o
4 -8 1 46.25 28.41 58.71 o
5 -8 1 4276.45 4297.33 125.54 o
6 -8 1 31.72 25.94 28.20 o
7 -8 1 7187.09 7888.23 243.85 o
8 -8 1 1272.02 1369.51 83.90 o
9 -8 1 465.94 574.43 77.42 o
10 -8 1 950.19 830.52 106.06 o
11 -8 1 100.43 112.69 64.87 o
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-6 -7 1 237.28 150.10 84.76 o
-5 -7 1 3140.81 2995.35 189.87 o
-4 -7 1 33.57 103.70 63.92 o
-3 -7 1 3612.91 3402.77 122.43 o
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0 -7 1 7585.65 8052.32 286.47 o
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2 -7 1 6180.39 6117.61 241.01 o
3 -7 1 111.04 121.24 21.45 o
4 -7 1 4413.75 4278.24 117.55 o
5 -7 1 977.08 1067.74 61.23 o
6 -7 1 4048.92 4076.54 126.54 o
7 -7 1 1387.28 1459.58 96.59 o
8 -7 1 2653.43 2890.68 112.26 o
9 -7 1 2233.43 2420.53 147.73 o
10 -7 1 1.88 14.20 44.98 o
11 -7 1 1428.68 1795.51 145.84 o
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0 -6 1 1423.18 1460.74 98.49 o
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2 -6 1 23.03 19.45 17.52 o
3 -6 1 5958.57 5718.48 134.64 o
4 -6 1 1301.48 1224.73 55.97 o
5 -6 1 8678.00 8823.22 203.12 o
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10 -6 1 2446.26 2407.74 156.73 o
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3 -5 1 6026.78 6161.62 140.08 o
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-4 -2 1 1125.21 1193.61 49.11 o
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-1 -2 1 616.46 598.09 22.14 o
0 -2 1 8758.82 10202.25 182.72 o
1 -2 1 190.51 223.50 17.15 o
2 -2 1 42244.04 44003.69 1070.58 o
3 -2 1 1173.94 1374.58 52.80 o
4 -2 1 6820.29 6696.09 120.12 o
5 -2 1 112.32 84.06 17.07 o
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7 -2 1 2279.56 2206.02 90.90 o
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10 -2 1 50.38 21.31 42.14 o
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-6 -1 1 9297.51 8970.09 206.98 o
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1 -1 1 8918.78 10652.78 272.26 o
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3 -1 1 7338.31 6645.65 144.96 o
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