#------------------------------------------------------------------------------
#$Date: 2023-08-11 04:54:03 +0300 (Fri, 11 Aug 2023) $
#$Revision: 285619 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/21/2312160.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_2312160
_cell_angle_alpha                108.932
_cell_angle_beta                 101.922
_cell_angle_gamma                111.088
_cell_length_a                   7.5220
_cell_length_b                   10.1067
_cell_length_c                   10.1973
_exptl_crystal_F_000             396.00
_reflns_d_resolution_high        0.7555
_cod_data_source_file            jq2025Isup2.hkl
_cod_data_source_block           I
_shelx_title
' (CuI)2(2-chlorpyrazin)4 bei 220 K in P-1 (CL1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            157.56
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_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 1589.04 1519.89 21.29 o
2 0 0 2658.81 2704.80 37.93 o
3 0 0 17822.29 21521.29 367.62 o
4 0 0 6758.10 7383.49 75.81 o
5 0 0 14.12 22.56 7.92 o
6 0 0 1221.34 1305.23 47.82 o
7 0 0 1722.88 1884.21 48.58 o
8 0 0 58.39 51.57 13.74 o
-8 1 0 436.70 424.85 11.58 o
-7 1 0 1398.93 1598.40 50.62 o
-6 1 0 2363.24 2517.35 38.31 o
-5 1 0 537.66 530.03 9.71 o
-4 1 0 9112.85 9980.26 92.01 o
-3 1 0 5451.01 5740.11 61.33 o
-2 1 0 4696.22 4774.80 30.32 o
-1 1 0 465.93 402.21 12.59 o
2 1 0 853.67 843.14 13.88 o
3 1 0 2345.56 2387.29 50.29 o
4 1 0 2055.45 2125.70 26.12 o
5 1 0 888.09 949.25 11.15 o
6 1 0 3.70 0.49 7.88 o
7 1 0 148.76 150.09 9.34 o
8 1 0 87.09 25.97 15.01 o
-9 2 0 842.13 688.82 106.94 o
-8 2 0 0.12 -2.29 7.87 o
-7 2 0 1029.52 967.18 15.12 o
-6 2 0 4388.04 4509.94 54.38 o
-5 2 0 2168.81 2306.83 22.27 o
-4 2 0 94.47 124.61 35.11 o
-3 2 0 12102.73 13806.54 285.54 o
-2 2 0 24825.00 32141.24 167.32 o
-1 2 0 499.10 445.97 11.98 o
0 2 0 2628.41 2607.89 51.63 o
2 2 0 177.70 197.74 9.18 o
3 2 0 170.36 177.21 7.99 o
4 2 0 299.15 316.92 9.96 o
5 2 0 438.59 494.03 27.35 o
6 2 0 65.41 61.79 8.29 o
7 2 0 54.35 46.03 9.68 o
-9 3 0 439.40 401.84 54.09 o
-8 3 0 214.74 211.00 10.94 o
-7 3 0 360.46 371.02 16.52 o
-6 3 0 1389.83 1475.76 35.67 o
-5 3 0 143.56 143.09 6.35 o
-4 3 0 1794.10 1949.93 14.68 o
-3 3 0 2123.64 2255.41 22.45 o
-2 3 0 1599.15 1632.31 14.93 o
-1 3 0 7595.09 8426.24 326.94 o
0 3 0 3501.77 3793.66 53.95 o
1 3 0 0.35 1.31 9.12 o
2 3 0 920.56 1050.91 22.09 o
3 3 0 1458.38 1583.26 19.79 o
4 3 0 733.91 909.68 82.16 o
5 3 0 48.22 55.09 9.97 o
6 3 0 436.66 465.30 12.70 o
7 3 0 438.12 524.76 16.56 o
-9 4 0 413.88 313.89 17.99 o
-8 4 0 446.64 456.57 11.72 o
-7 4 0 19.63 14.18 6.43 o
-6 4 0 250.02 255.29 7.43 o
-5 4 0 1234.17 1221.74 29.21 o
-4 4 0 2196.36 2329.05 24.34 o
-3 4 0 1061.18 1094.49 18.95 o
-2 4 0 211.88 231.80 7.82 o
-1 4 0 1291.55 1241.85 70.21 o
0 4 0 381.43 393.47 18.53 o
1 4 0 3267.08 3887.20 43.97 o
2 4 0 60.40 71.79 10.61 o
3 4 0 320.61 347.26 10.64 o
4 4 0 692.08 815.90 21.31 o
5 4 0 629.85 679.83 20.18 o
6 4 0 16.69 25.47 11.65 o
-9 5 0 3.97 7.59 12.47 o
-8 5 0 2.54 5.95 9.35 o
-7 5 0 469.69 500.20 61.19 o
-6 5 0 1874.47 1919.55 61.71 o
-5 5 0 780.90 760.21 8.20 o
-4 5 0 261.07 283.42 7.93 o
-3 5 0 17459.16 22386.07 354.74 o
-2 5 0 3571.30 3767.80 118.91 o
-1 5 0 895.61 865.21 36.66 o
0 5 0 6645.21 7445.96 70.98 o
1 5 0 6990.68 8607.89 75.54 o
2 5 0 828.19 929.92 20.56 o
3 5 0 266.08 294.45 12.62 o
4 5 0 2784.73 3053.40 89.59 o
5 5 0 573.35 570.12 14.78 o
6 5 0 9.21 -16.55 17.01 o
-9 6 0 841.15 736.70 53.95 o
-8 6 0 339.32 352.01 11.48 o
-7 6 0 1253.50 1338.45 63.80 o
-6 6 0 2132.69 2352.05 150.20 o
-5 6 0 4504.99 5113.24 309.65 o
-4 6 0 491.37 519.57 34.78 o
-3 6 0 2192.62 2296.64 54.53 o
-2 6 0 5424.92 5688.04 279.53 o
-1 6 0 1251.51 1183.96 49.58 o
0 6 0 765.16 721.44 17.64 o
1 6 0 1875.63 1990.26 27.28 o
2 6 0 1405.80 1636.21 25.76 o
3 6 0 6.10 6.85 13.09 o
4 6 0 190.98 246.14 14.74 o
5 6 0 282.22 251.81 18.81 o
-9 7 0 1985.27 1688.90 19.04 o
-8 7 0 778.18 752.81 42.18 o
-7 7 0 64.05 68.86 10.04 o
-6 7 0 2304.34 2497.41 220.58 o
-5 7 0 7878.17 9214.22 58.29 o
-4 7 0 550.31 628.31 26.50 o
-3 7 0 521.89 513.01 27.01 o
-2 7 0 9987.23 11227.75 486.87 o
-1 7 0 1120.40 1109.73 26.99 o
0 7 0 35.07 50.15 12.60 o
1 7 0 1271.68 1318.39 24.19 o
2 7 0 1564.70 1695.70 27.06 o
3 7 0 2.02 15.88 12.82 o
4 7 0 110.83 104.17 17.83 o
-9 8 0 1230.03 1151.92 67.02 o
-8 8 0 1272.06 1201.63 63.52 o
-7 8 0 479.79 476.14 43.90 o
-6 8 0 1898.45 1920.62 76.99 o
-5 8 0 792.07 867.33 14.80 o
-4 8 0 1777.56 1921.71 76.17 o
-3 8 0 94.02 112.54 8.66 o
-2 8 0 352.42 347.61 18.53 o
-1 8 0 672.03 610.68 21.18 o
0 8 0 92.09 87.86 12.87 o
1 8 0 19.07 20.34 8.39 o
2 8 0 15.97 8.85 8.91 o
3 8 0 95.67 86.83 17.92 o
-9 9 0 18.44 6.50 17.23 o
-8 9 0 1531.13 1462.71 24.20 o
-7 9 0 375.93 401.60 18.94 o
-6 9 0 87.02 110.07 9.09 o
-5 9 0 824.00 857.52 20.98 o
-4 9 0 1270.57 1304.13 42.50 o
-3 9 0 17.22 17.15 10.78 o
-1 9 0 212.90 183.34 15.12 o
0 9 0 52.15 44.09 12.40 o
1 9 0 3.51 -7.92 12.27 o
2 9 0 22.84 14.81 16.49 o
-8 10 0 174.05 158.09 12.42 o
-7 10 0 0.65 -5.99 10.46 o
-6 10 0 696.87 725.12 31.53 o
-5 10 0 5.81 3.63 10.13 o
-4 10 0 48.06 60.89 11.50 o
-3 10 0 194.36 175.76 16.42 o
-1 10 0 287.15 215.74 16.28 o
0 10 0 49.51 34.74 13.09 o
1 10 0 252.11 215.96 18.35 o
-8 11 0 492.16 475.96 15.26 o
-7 11 0 141.56 135.94 14.29 o
-6 11 0 61.61 60.66 13.51 o
-5 11 0 621.00 715.48 26.33 o
-4 11 0 141.46 141.24 15.47 o
-1 11 0 437.22 338.25 21.04 o
0 11 0 21.07 15.80 16.92 o
-6 12 0 12.97 14.74 21.11 o
-5 12 0 1083.38 963.16 92.65 o
-4 12 0 367.02 376.99 27.69 o
4 -12 1 136.62 150.40 19.94 o
5 -12 1 205.25 180.57 16.69 o
6 -12 1 356.05 324.61 16.04 o
7 -12 1 0.13 15.28 17.04 o
0 -11 1 0.76 -6.89 16.74 o
1 -11 1 30.33 12.21 13.30 o
3 -11 1 264.85 240.94 21.80 o
4 -11 1 62.59 59.42 13.13 o
5 -11 1 20.76 26.74 10.38 o
6 -11 1 20.19 25.61 13.34 o
7 -11 1 441.78 480.56 15.36 o
8 -11 1 256.53 220.40 20.14 o
-2 -10 1 6.29 11.20 17.08 o
-1 -10 1 66.65 41.66 10.03 o
0 -10 1 252.95 181.05 15.38 o
1 -10 1 48.63 34.76 12.96 o
3 -10 1 722.84 708.51 29.69 o
4 -10 1 683.20 702.80 18.21 o
5 -10 1 423.01 459.75 12.19 o
6 -10 1 24.14 27.37 7.62 o
7 -10 1 946.33 977.15 41.06 o
8 -10 1 567.84 537.72 20.30 o
-3 -9 1 0.05 4.78 17.96 o
-2 -9 1 390.41 375.79 16.55 o
-1 -9 1 396.90 364.73 15.79 o
0 -9 1 33.81 24.19 9.24 o
1 -9 1 1557.06 1306.38 27.91 o
2 -9 1 2058.14 2049.34 37.90 o
3 -9 1 3.19 2.99 7.59 o
4 -9 1 1478.97 1636.81 63.24 o
5 -9 1 2867.93 3137.78 41.89 o
6 -9 1 836.28 824.00 36.36 o
7 -9 1 262.49 281.56 13.97 o
8 -9 1 1673.54 1588.11 61.21 o
9 -9 1 1127.45 1025.17 20.86 o
-4 -8 1 25.14 30.74 17.91 o
-3 -8 1 106.28 130.47 14.39 o
-2 -8 1 1077.34 1060.93 22.11 o
-1 -8 1 694.87 651.41 16.09 o
0 -8 1 4.15 5.98 12.82 o
1 -8 1 2305.95 2042.06 34.81 o
2 -8 1 3049.04 3091.69 126.61 o
3 -8 1 1571.72 1643.67 50.74 o
4 -8 1 1968.79 2218.33 47.86 o
5 -8 1 3234.12 3537.07 217.11 o
6 -8 1 1017.94 1120.70 12.19 o
7 -8 1 184.42 210.86 24.73 o
8 -8 1 1329.06 1325.37 18.03 o
9 -8 1 701.30 664.02 72.39 o
-5 -7 1 175.18 102.06 14.27 o
-4 -7 1 614.78 565.16 15.66 o
-3 -7 1 97.97 97.31 10.45 o
-2 -7 1 815.37 839.09 17.15 o
-1 -7 1 5743.65 6196.51 63.72 o
0 -7 1 515.01 528.07 18.55 o
1 -7 1 881.15 813.46 30.19 o
2 -7 1 5519.81 5948.43 198.25 o
3 -7 1 4507.92 4865.39 247.59 o
4 -7 1 18.88 24.52 11.01 o
5 -7 1 2386.28 2664.62 33.36 o
6 -7 1 2713.13 2714.67 36.11 o
7 -7 1 321.59 327.23 10.19 o
8 -7 1 185.11 152.87 9.07 o
9 -7 1 284.26 274.37 14.05 o
-5 -6 1 631.94 529.21 15.15 o
-4 -6 1 533.23 565.54 17.27 o
-3 -6 1 2.71 4.40 12.98 o
-2 -6 1 580.99 669.56 18.30 o
-1 -6 1 2141.13 2355.47 31.89 o
0 -6 1 1572.87 1610.02 28.80 o
1 -6 1 73.47 85.32 9.14 o
2 -6 1 2746.32 2852.20 84.55 o
3 -6 1 1064.02 1104.09 66.42 o
4 -6 1 344.62 336.98 8.22 o
5 -6 1 4.70 2.31 6.68 o
6 -6 1 400.57 415.57 11.62 o
7 -6 1 161.84 155.11 7.06 o
8 -6 1 511.59 443.60 15.94 o
9 -6 1 10.69 10.39 9.03 o
-6 -5 1 76.47 58.15 17.68 o
-5 -5 1 126.75 136.29 10.33 o
-4 -5 1 702.61 824.21 18.65 o
-3 -5 1 1500.41 1723.14 25.19 o
-2 -5 1 80.74 86.33 13.98 o
-1 -5 1 421.77 425.62 17.02 o
0 -5 1 3817.92 3770.04 45.22 o
1 -5 1 503.29 489.53 66.51 o
2 -5 1 3.01 4.06 10.75 o
3 -5 1 388.58 400.57 12.03 o
4 -5 1 1720.05 1804.73 19.23 o
5 -5 1 150.31 140.36 5.92 o
6 -5 1 388.90 417.28 9.00 o
7 -5 1 27.73 21.29 6.36 o
8 -5 1 439.98 407.77 21.77 o
9 -5 1 396.84 401.12 14.41 o
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-2 -4 1 600.51 621.16 15.10 o
-1 -4 1 339.32 330.53 16.90 o
0 -4 1 473.59 419.14 19.87 o
1 -4 1 376.11 341.08 30.74 o
2 -4 1 2706.42 2714.93 22.71 o
3 -4 1 3913.44 4177.00 41.01 o
4 -4 1 327.87 334.19 7.27 o
5 -4 1 2568.28 2484.20 31.03 o
6 -4 1 4619.62 4744.37 24.69 o
7 -4 1 308.87 286.07 13.56 o
8 -4 1 179.88 170.80 8.00 o
9 -4 1 1226.10 1094.58 58.36 o
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-2 -3 1 2160.56 2460.90 63.92 o
-1 -3 1 2799.49 2845.57 150.75 o
0 -3 1 5480.92 5051.43 129.63 o
1 -3 1 1046.02 970.54 68.29 o
2 -3 1 8953.48 9929.99 224.64 o
3 -3 1 3118.18 3027.42 37.48 o
4 -3 1 2381.59 2374.96 42.72 o
5 -3 1 1238.48 1158.80 11.06 o
6 -3 1 2905.81 3014.14 39.35 o
7 -3 1 2413.71 2400.92 63.00 o
8 -3 1 15.03 7.95 14.18 o
9 -3 1 693.62 530.71 107.47 o
-8 -2 1 25.36 19.48 15.02 o
-7 -2 1 373.90 395.46 23.50 o
-6 -2 1 254.94 336.41 12.99 o
-5 -2 1 48.61 59.11 14.49 o
-4 -2 1 5410.14 6374.77 248.24 o
-3 -2 1 3497.60 3951.61 113.09 o
-2 -2 1 47.77 48.14 7.57 o
-1 -2 1 9654.63 9591.05 94.15 o
0 -2 1 12265.15 11995.07 150.01 o
1 -2 1 9710.23 9549.49 96.95 o
2 -2 1 3507.79 3358.54 65.18 o
3 -2 1 18930.94 22159.59 267.82 o
4 -2 1 5232.56 5451.14 101.77 o
5 -2 1 16.58 18.48 4.84 o
6 -2 1 3010.02 3122.93 55.36 o
7 -2 1 2633.84 2777.94 41.79 o
8 -2 1 90.99 90.93 12.41 o
-8 -1 1 337.86 327.71 20.95 o
-7 -1 1 1609.69 1704.01 16.94 o
-6 -1 1 983.55 1181.49 48.25 o
-5 -1 1 748.93 861.40 23.79 o
-4 -1 1 4549.71 5200.13 181.28 o
-3 -1 1 8757.38 10316.08 521.45 o
-2 -1 1 71.89 50.33 8.22 o
0 -1 1 6568.98 5370.27 78.52 o
1 -1 1 1557.24 1299.75 23.60 o
2 -1 1 107.28 97.66 7.92 o
3 -1 1 5273.35 5441.53 116.53 o
4 -1 1 1152.56 1133.74 25.14 o
5 -1 1 1157.63 1244.10 11.78 o
6 -1 1 366.13 361.34 11.76 o
7 -1 1 586.26 605.88 15.74 o
8 -1 1 231.53 256.98 26.41 o
-8 0 1 23.85 22.96 11.29 o
-7 0 1 1298.03 1473.54 27.03 o
-6 0 1 4140.34 4728.27 188.52 o
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-3 0 1 13212.50 15345.34 684.75 o
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-1 0 1 1002.97 801.68 22.99 o
1 0 1 9518.93 9698.02 92.33 o
2 0 1 659.31 662.11 15.43 o
3 0 1 1224.53 1193.43 29.96 o
4 0 1 1986.06 2035.77 37.92 o
5 0 1 147.46 158.72 8.94 o
6 0 1 74.21 82.56 7.28 o
7 0 1 34.67 37.40 8.86 o
8 0 1 75.51 47.79 11.80 o
-9 1 1 487.05 453.01 14.94 o
-8 1 1 3.88 1.35 10.36 o
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-1 1 1 1623.70 1279.03 35.90 o
0 1 1 486.56 343.36 17.22 o
1 1 1 3876.63 3886.25 46.18 o
2 1 1 309.45 323.72 10.54 o
3 1 1 2358.25 2556.76 86.15 o
4 1 1 206.25 236.23 7.86 o
5 1 1 27.32 35.90 8.15 o
6 1 1 700.93 765.46 22.52 o
7 1 1 493.05 502.86 17.80 o
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-5 2 1 1687.89 1777.86 82.55 o
-4 2 1 115.37 112.85 17.46 o
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-1 2 1 5084.48 4752.76 44.31 o
0 2 1 54.31 52.18 11.53 o
1 2 1 1890.59 1939.11 45.12 o
2 2 1 51.99 52.67 7.04 o
3 2 1 898.36 965.73 24.51 o
4 2 1 1667.51 1908.73 51.40 o
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6 2 1 115.79 126.75 10.84 o
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-4 3 1 1005.61 1025.44 60.57 o
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3 5 1 177.42 188.80 9.57 o
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-5 6 1 5361.73 5875.46 57.65 o
-4 6 1 442.67 432.26 33.69 o
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-1 6 1 1175.81 1206.83 76.93 o
0 6 1 33.58 67.50 12.41 o
1 6 1 274.34 328.64 14.94 o
2 6 1 67.34 85.90 9.75 o
3 6 1 175.99 202.05 11.16 o
4 6 1 17.05 11.75 9.44 o
5 6 1 1.25 -14.38 16.93 o
-9 7 1 719.83 688.49 39.35 o
-8 7 1 1602.51 1630.33 27.86 o
-7 7 1 405.21 398.17 16.18 o
-6 7 1 27.14 23.84 8.33 o
-5 7 1 2263.75 2478.40 38.75 o
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-1 7 1 1151.01 1110.62 26.50 o
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2 7 1 38.93 28.49 9.24 o
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