#------------------------------------------------------------------------------
#$Date: 2018-01-17 08:24:56 +0200 (Wed, 17 Jan 2018) $
#$Revision: 205306 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/09/2020903.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_2020903
_cell_angle_alpha                90.000
_cell_angle_beta                 107.295
_cell_angle_gamma                90.000
_cell_length_a                   12.0312
_cell_length_b                   16.1528
_cell_length_c                   8.1007
_exptl_crystal_F_000             944.00
_reflns_d_resolution_high        0.8001
_cod_data_source_file            sk3673chi46-bissup2.hkl
_cod_data_source_block           chi46-bis
_shelx_title                     ' CHI46-bis in P21/c #  14'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            400.91
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 109397.34 108283.12 633.71 o
3 0 0 65310.64 64775.02 466.46 o
4 0 0 31671.20 32563.46 303.47 o
5 0 0 37358.46 40091.41 402.88 o
6 0 0 6479.73 6524.73 147.21 o
7 0 0 3485.08 3690.87 141.47 o
8 0 0 47.36 121.12 37.27 o
9 0 0 924.32 980.86 98.17 o
10 0 0 4247.04 4145.65 228.83 o
11 0 0 2213.04 2367.49 164.57 o
12 0 0 2780.74 2907.92 352.95 o
13 0 0 5869.45 5780.58 416.15 o
14 0 0 11260.83 11054.26 845.51 o
2 1 0 2177.61 2281.53 36.58 o
3 1 0 7003.40 7223.61 73.42 o
4 1 0 21567.74 21864.67 157.76 o
5 1 0 49105.76 50076.84 341.64 o
6 1 0 37400.59 37852.62 325.45 o
7 1 0 31209.12 32281.85 366.84 o
8 1 0 21729.68 21937.62 281.72 o
9 1 0 15571.83 15617.00 283.52 o
10 1 0 13445.26 13763.69 237.78 o
11 1 0 11580.55 11540.48 331.31 o
12 1 0 2481.47 2532.52 181.65 o
13 1 0 149.77 93.27 56.28 o
14 1 0 216.24 62.85 74.53 o
0 2 0 130.79 120.37 25.37 o
1 2 0 19.88 102.93 20.98 o
2 2 0 253.80 321.99 16.85 o
3 2 0 6772.77 7098.16 80.02 o
4 2 0 3392.67 3582.36 50.31 o
5 2 0 4323.37 4514.48 73.42 o
6 2 0 5555.42 5655.99 87.56 o
7 2 0 997.91 941.42 38.53 o
8 2 0 2605.34 2575.71 72.26 o
9 2 0 2743.32 2821.60 85.54 o
10 2 0 2434.21 2362.30 91.98 o
11 2 0 552.42 647.69 81.38 o
12 2 0 126.10 204.17 48.09 o
13 2 0 9.23 -1.35 83.37 o
14 2 0 6.21 -54.28 54.28 o
1 3 0 28.89 132.58 13.21 o
2 3 0 9456.13 9591.16 95.08 o
3 3 0 1729.76 1800.26 36.61 o
4 3 0 2101.24 2035.44 46.85 o
5 3 0 20600.38 20681.43 236.46 o
6 3 0 19732.39 20043.96 222.06 o
7 3 0 25922.19 26608.01 269.57 o
8 3 0 21771.28 21995.75 270.20 o
9 3 0 19594.92 19571.88 326.73 o
10 3 0 13197.71 13616.77 277.79 o
11 3 0 14321.15 14773.10 363.93 o
12 3 0 7250.28 7124.22 260.83 o
13 3 0 3655.30 3497.98 225.24 o
14 3 0 1959.88 1942.34 176.86 o
0 4 0 160727.78 155476.78 2832.15 o
1 4 0 37244.84 37260.09 269.66 o
2 4 0 26102.44 25997.05 192.29 o
3 4 0 14920.44 14601.79 114.75 o
4 4 0 11037.32 11193.34 127.49 o
5 4 0 7456.60 7688.94 127.97 o
6 4 0 524.28 608.46 38.06 o
7 4 0 449.98 530.35 38.40 o
8 4 0 83.60 158.62 24.94 o
9 4 0 791.38 795.75 58.13 o
10 4 0 3094.26 3324.17 125.80 o
11 4 0 4542.61 4679.31 189.34 o
12 4 0 5312.28 5357.09 231.92 o
13 4 0 9258.96 9657.33 378.62 o
14 4 0 14958.95 14915.75 498.69 o
1 5 0 3716.34 3930.11 82.12 o
2 5 0 5638.50 5810.02 84.28 o
3 5 0 659.44 726.72 26.37 o
4 5 0 8242.98 8570.55 93.90 o
5 5 0 9751.46 9536.08 145.79 o
6 5 0 13352.68 13415.47 215.72 o
7 5 0 12962.26 13231.61 228.92 o
8 5 0 9917.47 9933.28 207.43 o
9 5 0 9194.41 9776.25 231.61 o
10 5 0 12834.46 13169.72 265.86 o
11 5 0 8477.40 8390.25 258.91 o
12 5 0 1730.29 1774.35 124.23 o
13 5 0 297.52 319.61 80.22 o
0 6 0 2648.98 3234.18 140.20 o
1 6 0 418.34 501.90 31.85 o
2 6 0 428.12 466.57 27.53 o
3 6 0 5422.53 5550.59 96.05 o
4 6 0 3083.67 3241.46 68.72 o
5 6 0 248.89 293.12 20.85 o
6 6 0 118.84 295.47 28.68 o
7 6 0 1141.95 1253.95 65.01 o
8 6 0 626.79 680.06 51.71 o
9 6 0 123.85 203.86 36.52 o
10 6 0 255.00 321.66 53.47 o
11 6 0 3209.41 3263.99 178.62 o
12 6 0 3166.44 3085.50 182.27 o
13 6 0 2667.57 2823.64 202.04 o
1 7 0 6043.48 6110.32 161.34 o
2 7 0 12801.72 12922.55 243.20 o
3 7 0 12808.61 12628.86 218.53 o
4 7 0 11268.05 10915.32 225.80 o
5 7 0 16428.65 16178.75 244.59 o
6 7 0 21794.81 21860.10 370.08 o
7 7 0 27709.73 27136.87 450.90 o
8 7 0 23172.75 23569.64 417.26 o
9 7 0 24439.03 25066.14 454.13 o
10 7 0 10682.17 11076.62 359.76 o
11 7 0 8533.03 8620.43 297.93 o
12 7 0 5256.40 5509.72 248.38 o
13 7 0 4063.95 4313.43 229.83 o
0 8 0 56435.68 57698.50 1030.08 o
1 8 0 52864.00 52418.88 684.92 o
2 8 0 46391.29 46275.56 497.22 o
3 8 0 40058.95 39496.73 453.51 o
4 8 0 27483.15 27475.50 351.29 o
5 8 0 12474.86 12750.57 227.55 o
6 8 0 1899.62 1595.41 129.53 o
7 8 0 749.26 899.32 76.13 o
8 8 0 2808.65 3067.97 146.81 o
9 8 0 67.47 126.65 60.02 o
10 8 0 199.04 227.74 48.88 o
11 8 0 2626.03 2890.56 194.10 o
12 8 0 4930.71 4972.96 239.50 o
13 8 0 6261.25 6796.17 327.31 o
1 9 0 613.78 851.39 83.47 o
2 9 0 182.76 267.45 39.37 o
3 9 0 154.26 250.18 39.04 o
4 9 0 562.71 622.63 38.25 o
5 9 0 1445.16 1502.85 79.10 o
6 9 0 4123.72 3829.96 120.75 o
7 9 0 9438.78 9419.64 259.58 o
8 9 0 7021.81 7386.84 252.79 o
9 9 0 3741.32 3937.63 177.71 o
10 9 0 6142.68 6451.52 329.00 o
11 9 0 2018.11 2012.75 165.14 o
12 9 0 490.70 609.37 84.56 o
0 10 0 2692.72 3165.14 223.92 o
1 10 0 3986.84 4026.95 183.91 o
2 10 0 10563.02 10488.00 257.98 o
3 10 0 11517.10 11527.85 228.61 o
4 10 0 10578.83 10182.08 309.57 o
5 10 0 4319.39 4538.23 147.30 o
6 10 0 1387.93 1421.58 79.11 o
7 10 0 548.61 648.08 68.69 o
8 10 0 60.99 124.36 50.83 o
9 10 0 217.48 238.20 46.03 o
10 10 0 851.62 953.13 110.65 o
11 10 0 3288.31 2971.11 219.67 o
12 10 0 2573.62 2739.68 238.53 o
1 11 0 7784.67 7907.24 265.88 o
2 11 0 14314.73 14090.11 317.25 o
3 11 0 16612.07 16132.06 328.99 o
4 11 0 20609.48 19791.34 588.60 o
5 11 0 19734.18 19876.70 388.34 o
6 11 0 21390.96 21554.88 482.19 o
7 11 0 24150.24 23639.84 606.27 o
8 11 0 20104.24 20594.68 805.25 o
9 11 0 18234.80 19007.83 1024.48 o
10 11 0 9689.93 9829.13 443.33 o
11 11 0 6174.82 6404.98 378.52 o
12 11 0 4254.50 4602.28 315.22 o
0 12 0 27593.59 27660.21 775.89 o
1 12 0 29032.09 29700.50 593.14 o
2 12 0 29202.89 28867.47 751.38 o
3 12 0 28213.57 27331.72 413.36 o
4 12 0 17184.89 16980.70 360.47 o
5 12 0 7092.40 7110.72 314.39 o
6 12 0 397.71 477.93 66.09 o
7 12 0 167.31 166.35 32.99 o
8 12 0 13.30 136.12 35.64 o
9 12 0 822.26 968.38 100.94 o
10 12 0 1406.41 1441.58 145.52 o
11 12 0 4708.01 4305.56 298.04 o
1 13 0 477.94 686.51 82.18 o
2 13 0 1919.64 2041.24 129.94 o
3 13 0 1495.24 1651.60 97.65 o
4 13 0 389.62 349.86 47.22 o
5 13 0 1035.42 1177.10 95.43 o
6 13 0 3494.65 3161.54 190.98 o
7 13 0 7831.06 8117.39 380.14 o
8 13 0 5596.87 5844.07 265.27 o
9 13 0 1425.76 1566.65 123.93 o
10 13 0 678.94 792.83 128.95 o
0 14 0 2436.93 2618.08 248.05 o
1 14 0 2247.33 2332.18 163.75 o
2 14 0 3178.47 3124.64 167.31 o
3 14 0 2890.02 2757.59 155.18 o
4 14 0 4540.89 4553.85 183.73 o
5 14 0 6521.31 6665.13 281.06 o
6 14 0 4203.25 4458.25 238.16 o
7 14 0 3423.10 3454.74 210.43 o
8 14 0 428.80 499.79 81.89 o
9 14 0 104.21 148.95 57.05 o
10 14 0 282.85 313.09 98.59 o
1 15 0 2660.78 2870.94 191.03 o
2 15 0 4017.80 4252.82 203.72 o
3 15 0 5431.69 5547.61 233.80 o
4 15 0 9090.91 9230.76 402.68 o
5 15 0 8569.69 8403.66 433.70 o
6 15 0 10482.43 10267.59 465.59 o
7 15 0 8388.66 8921.01 635.73 o
8 15 0 8436.44 8667.18 600.85 o
9 15 0 9015.46 7918.37 1527.31 o
0 16 0 4905.90 5295.12 381.93 o
1 16 0 5459.23 5644.44 268.77 o
2 16 0 5549.20 5912.36 250.45 o
3 16 0 7088.15 7135.32 276.80 o
4 16 0 6195.86 6060.11 286.45 o
5 16 0 4190.21 4268.82 241.19 o
6 16 0 1579.58 1703.79 265.74 o
7 16 0 268.39 336.33 94.04 o
8 16 0 74.30 275.88 73.21 o
1 17 0 37.71 140.32 45.47 o
2 17 0 171.90 284.33 55.96 o
3 17 0 10.86 85.38 35.37 o
4 17 0 286.41 159.61 60.40 o
5 17 0 203.49 213.68 53.00 o
6 17 0 6.99 18.15 58.79 o
7 17 0 271.31 142.11 62.56 o
0 18 0 6416.73 6888.81 473.15 o
1 18 0 5474.24 5800.64 268.68 o
2 18 0 3023.20 3284.97 201.15 o
3 18 0 1413.29 1579.07 159.01 o
4 18 0 1907.50 1984.62 214.88 o
5 18 0 3145.08 3462.47 285.50 o
6 18 0 1478.26 1638.57 287.29 o
1 19 0 1002.33 936.59 111.01 o
2 19 0 2313.74 2377.76 200.33 o
3 19 0 6086.72 6062.33 303.11 o
4 19 0 9708.88 11303.17 641.76 o
0 20 0 6279.67 7478.27 575.35 o
1 20 0 6350.13 6730.03 311.67 o
-14 1 1 1122.22 939.10 121.12 o
-13 1 1 564.19 514.19 81.70 o
-12 1 1 129.25 80.08 44.26 o
-11 1 1 98.40 132.01 29.12 o
-10 1 1 76.00 112.04 25.59 o
-9 1 1 1030.35 910.56 51.86 o
-8 1 1 3105.23 2804.07 56.12 o
-7 1 1 12243.24 12234.66 155.29 o
-6 1 1 38771.57 39131.05 299.68 o
-5 1 1 61100.83 61420.17 341.32 o
-4 1 1 25614.96 25646.85 203.00 o
-3 1 1 9772.04 9773.74 87.13 o
-2 1 1 33339.95 33212.91 274.91 o
-1 1 1 61033.68 59425.47 298.23 o
0 1 1 6919.41 7076.52 80.83 o
1 1 1 23229.83 24411.97 182.62 o
2 1 1 1215.50 1223.09 31.45 o
3 1 1 2230.04 2261.76 47.25 o
4 1 1 2564.64 2948.59 56.45 o
5 1 1 856.59 980.87 39.77 o
6 1 1 32.19 79.79 18.94 o
7 1 1 2193.31 2386.89 81.31 o
8 1 1 9137.71 9374.89 255.12 o
9 1 1 18860.60 19129.18 344.37 o
10 1 1 15801.09 16209.46 339.40 o
11 1 1 15931.90 15628.93 623.85 o
12 1 1 13404.73 13273.71 559.41 o
13 1 1 8380.95 7962.36 490.95 o
-14 2 1 8890.67 8746.40 435.61 o
-13 2 1 14208.75 13036.05 438.99 o
-12 2 1 22757.27 22727.70 474.98 o
-11 2 1 27866.40 28720.73 478.08 o
-10 2 1 20805.06 21073.42 382.19 o
-9 2 1 14555.95 14423.71 207.73 o
-8 2 1 7961.87 7789.20 164.07 o
-7 2 1 6858.20 6761.33 103.51 o
-6 2 1 3868.61 3946.13 75.18 o
-5 2 1 6701.72 6857.42 106.68 o
-4 2 1 14084.77 14193.29 109.33 o
-3 2 1 1930.59 2075.81 36.07 o
-2 2 1 963.21 1148.70 24.06 o
-1 2 1 13652.07 13857.52 110.70 o
0 2 1 56220.51 55682.46 316.15 o
1 2 1 67940.91 68262.03 417.02 o
2 2 1 60084.05 60204.41 493.66 o
3 2 1 85196.34 84926.08 714.06 o
4 2 1 106156.31 106822.04 691.73 o
5 2 1 77412.76 77997.86 536.74 o
6 2 1 74027.36 75113.90 617.68 o
7 2 1 24033.35 24383.61 352.65 o
8 2 1 9637.75 9810.21 194.58 o
9 2 1 6502.75 6843.29 167.01 o
10 2 1 11910.11 11747.00 289.73 o
11 2 1 3667.26 3873.46 205.33 o
12 2 1 2590.21 2553.89 219.22 o
13 2 1 111.74 85.02 84.55 o
-14 3 1 268.67 199.05 58.12 o
-13 3 1 19.07 56.68 32.82 o
-12 3 1 54.59 98.62 32.76 o
-11 3 1 31.82 108.91 28.86 o
-10 3 1 110.63 338.13 51.08 o
-9 3 1 475.41 569.06 34.86 o
-8 3 1 1183.46 1258.61 47.62 o
-7 3 1 9129.59 8734.20 132.02 o
-6 3 1 42974.55 42764.07 348.27 o
-5 3 1 44280.94 43379.25 288.73 o
-4 3 1 38254.63 38177.88 228.26 o
-3 3 1 16761.12 16952.14 145.86 o
-2 3 1 8133.49 8337.55 100.62 o
-1 3 1 67987.61 67923.57 458.65 o
0 3 1 8877.50 9440.55 100.16 o
1 3 1 19047.76 19740.53 137.58 o
2 3 1 18427.70 18798.64 131.84 o
3 3 1 5064.15 5051.29 74.34 o
4 3 1 2505.96 2585.61 61.70 o
5 3 1 14.57 39.58 8.89 o
6 3 1 2127.53 2408.09 84.82 o
7 3 1 171.54 173.96 17.11 o
8 3 1 3807.52 3573.77 150.05 o
9 3 1 16733.64 16761.47 310.60 o
10 3 1 16923.67 17602.76 333.65 o
11 3 1 15753.47 16162.06 411.38 o
12 3 1 7870.52 8180.06 330.69 o
13 3 1 3557.64 3387.77 220.51 o
-14 4 1 697.05 689.74 105.78 o
-13 4 1 1279.58 1182.19 102.97 o
-12 4 1 413.44 419.64 56.45 o
-11 4 1 22.51 73.38 28.31 o
-10 4 1 816.30 715.70 68.68 o
-9 4 1 23.87 55.29 13.10 o
-8 4 1 3620.91 3553.91 87.74 o
-7 4 1 3748.72 3747.04 85.94 o
-6 4 1 3.55 78.99 11.55 o
-5 4 1 8414.08 8286.61 104.17 o
-4 4 1 11772.39 11865.94 128.40 o
-3 4 1 10870.98 11324.17 123.35 o
-2 4 1 5725.60 6322.58 96.82 o
0 4 1 20610.04 21291.59 324.91 o
1 4 1 2718.55 2891.83 52.25 o
2 4 1 4661.66 4923.35 58.69 o
3 4 1 2227.37 2233.40 48.15 o
4 4 1 198.10 261.86 25.16 o
5 4 1 147.35 224.19 21.38 o
6 4 1 167.37 227.19 25.55 o
7 4 1 2377.60 2474.56 103.29 o
8 4 1 2443.03 2417.85 101.92 o
9 4 1 1554.55 1546.27 90.17 o
10 4 1 225.18 197.44 35.03 o
11 4 1 5.26 44.73 32.51 o
12 4 1 22.27 -42.02 46.31 o
13 4 1 105.61 39.95 41.19 o
-14 5 1 864.90 986.69 131.79 o
-13 5 1 1039.93 1226.12 136.56 o
-12 5 1 308.98 346.65 57.86 o
-11 5 1 1223.78 1261.64 99.30 o
-10 5 1 3770.30 3897.75 165.69 o
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-8 5 1 15076.84 14817.94 214.77 o
-7 5 1 24714.71 24102.97 259.97 o
-6 5 1 37852.84 36680.77 404.45 o
-5 5 1 47482.82 46771.09 460.64 o
-4 5 1 48274.76 47913.33 455.57 o
-3 5 1 41851.80 41515.37 312.93 o
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-1 5 1 40874.52 40862.02 329.33 o
0 5 1 5271.41 5352.48 120.85 o
1 5 1 8279.97 8201.00 101.81 o
2 5 1 3601.32 3603.04 63.97 o
3 5 1 2386.46 2450.96 47.18 o
4 5 1 1886.11 1887.28 59.21 o
5 5 1 631.39 726.49 39.20 o
6 5 1 3536.44 3511.71 101.75 o
7 5 1 4221.94 4194.74 131.46 o
8 5 1 5779.68 6001.97 191.73 o
9 5 1 6520.92 6889.48 200.39 o
10 5 1 5304.46 5208.88 182.78 o
11 5 1 7520.47 7494.48 298.71 o
12 5 1 9709.15 10183.96 367.08 o
13 5 1 8165.87 8908.47 423.81 o
-14 6 1 16351.92 16726.40 865.60 o
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-12 6 1 29454.87 30942.65 625.77 o
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-10 6 1 26948.19 27088.79 695.25 o
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2 6 1 45019.80 45161.82 436.86 o
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12 6 1 279.09 271.23 66.89 o
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-11 7 1 167.87 194.63 41.39 o
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-3 7 1 8180.04 8064.34 163.80 o
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-1 7 1 4054.17 4142.22 109.76 o
0 7 1 116.97 247.50 32.57 o
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2 7 1 137.76 181.09 20.62 o
3 7 1 18.54 73.90 17.89 o
4 7 1 246.08 400.38 27.08 o
5 7 1 218.46 284.49 25.48 o
6 7 1 81.88 190.84 30.85 o
7 7 1 55.45 117.43 22.58 o
8 7 1 1757.40 1825.83 110.80 o
9 7 1 4628.20 4873.83 190.67 o
10 7 1 6849.79 6957.06 221.89 o
11 7 1 5075.71 5481.42 236.48 o
12 7 1 2095.15 2062.02 170.65 o
-13 8 1 1037.61 969.93 133.54 o
-12 8 1 319.82 217.01 52.14 o
-11 8 1 288.03 201.71 51.90 o
-10 8 1 2886.36 2978.97 188.15 o
-9 8 1 1722.59 1821.54 113.15 o
-8 8 1 11012.93 11155.97 288.47 o
-7 8 1 12021.80 11633.07 202.47 o
-6 8 1 9019.24 9117.60 193.08 o
-5 8 1 1258.31 1286.11 63.50 o
-4 8 1 0.68 111.31 28.19 o
-3 8 1 377.36 447.13 35.71 o
-2 8 1 823.17 1009.65 74.17 o
-1 8 1 2536.57 2502.55 146.36 o
0 8 1 211.62 335.08 40.33 o
1 8 1 95.58 110.35 22.59 o
2 8 1 317.85 341.10 31.20 o
3 8 1 1285.80 1265.50 57.59 o
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5 8 1 456.75 478.91 45.59 o
6 8 1 2023.81 2028.29 90.14 o
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10 8 1 460.41 562.02 81.57 o
11 8 1 426.70 482.35 86.27 o
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