#------------------------------------------------------------------------------
#$Date: 2023-03-16 05:28:11 +0200 (Thu, 16 Mar 2023) $
#$Revision: 281912 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/42/2244243.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_2244243
_cell_angle_alpha                90.000
_cell_angle_beta                 99.925
_cell_angle_gamma                90.000
_cell_length_a                   8.6856
_cell_length_b                   13.7435
_cell_length_c                   12.0379
_exptl_crystal_F_000             600.00
_reflns_d_resolution_high        0.7885
_cod_data_source_file            yz20301bsup3.hkl
_cod_data_source_block           1b
_shelx_title                     ' quik_m7_5 in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            122.83
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
0 0 -2 4773.06 4264.26 12.13 o
0 0 4 860.20 851.90 4.73 o
0 0 -6 70.95 88.78 2.31 o
0 0 8 1786.90 1791.71 5.61 o
0 0 10 678.68 673.11 2.70 o
0 0 -12 71.00 66.54 0.94 o
0 0 14 60.45 62.29 0.96 o
0 1 1 517.87 456.74 2.72 o
0 -1 2 882.21 785.83 3.29 o
0 1 3 107.70 102.25 1.34 o
0 1 -4 273.40 272.35 2.20 o
0 1 -5 1408.06 1419.49 5.65 o
0 1 6 171.53 206.42 1.95 o
0 -1 -7 481.42 536.04 3.59 o
0 -1 -8 184.94 190.00 1.16 o
0 -1 9 296.38 287.72 1.10 o
0 1 10 113.23 101.02 0.82 o
0 1 11 174.31 168.05 2.88 o
0 -1 12 64.95 67.86 0.65 o
0 1 -13 280.61 296.28 2.12 o
0 -1 14 6.94 6.97 0.31 o
0 -2 0 110.12 121.84 1.16 o
0 -2 -1 2124.08 2022.67 5.81 o
0 2 -2 49.22 51.39 1.93 o
0 -2 3 461.22 474.61 3.81 o
0 -2 4 967.90 967.54 5.21 o
0 2 -6 9.55 7.69 0.61 o
0 2 -7 49.80 45.84 1.04 o
0 2 -8 933.56 990.13 2.86 o
0 -2 -9 5.75 5.41 0.28 o
0 -2 -10 13.66 11.10 0.35 o
0 2 11 339.42 320.23 3.10 o
0 -2 12 0.47 0.00 0.25 o
0 2 13 275.44 280.48 2.60 o
0 2 14 10.97 13.55 0.41 o
0 -3 -1 1893.09 1787.18 6.42 o
0 -3 2 22.89 21.03 0.74 o
0 3 3 33.77 30.03 0.81 o
0 3 4 1250.54 1267.09 4.75 o
0 -3 6 24.17 18.23 0.61 o
0 3 7 210.18 208.50 1.16 o
0 3 8 547.91 542.79 2.18 o
0 3 9 249.55 238.66 1.11 o
0 -3 -10 16.81 15.52 0.38 o
0 -3 11 56.10 54.20 1.86 o
0 3 -12 108.95 116.70 0.77 o
0 3 -13 35.59 35.02 0.76 o
0 -3 14 26.32 27.85 0.59 o
0 4 0 82.96 56.09 1.82 o
0 -4 -1 123.56 92.89 1.15 o
0 -4 2 494.65 482.35 2.60 o
0 4 -3 1843.65 1832.30 6.34 o
0 4 4 27.65 29.78 0.58 o
0 4 6 194.70 185.35 1.79 o
0 4 7 64.85 66.45 0.54 o
0 -4 8 371.62 378.76 1.82 o
0 -4 9 176.32 168.95 0.87 o
0 4 10 104.73 79.88 0.67 o
0 -4 11 412.24 395.60 4.37 o
0 -4 12 62.71 57.26 0.56 o
0 -4 13 151.99 165.53 1.34 o
0 -4 14 71.58 76.29 0.80 o
0 -5 1 2357.42 2393.56 8.69 o
0 -5 -2 19.88 15.53 0.48 o
0 -5 3 6.78 9.68 0.39 o
0 5 -4 263.03 288.91 1.68 o
0 -5 5 257.98 223.33 5.14 o
0 5 6 279.43 278.96 1.42 o
0 5 7 8.56 4.58 0.21 o
0 -5 -8 65.84 74.30 0.76 o
0 5 9 692.04 657.29 2.26 o
0 5 10 497.89 478.06 1.54 o
0 -5 11 210.09 210.18 3.73 o
0 5 -12 56.18 61.01 0.65 o
0 5 -13 50.18 48.67 0.92 o
0 5 -14 27.07 23.69 0.46 o
0 6 0 52.60 40.67 1.47 o
0 -6 1 6.99 6.08 0.65 o
0 -6 -2 87.57 99.37 0.98 o
0 -6 4 1708.29 1826.59 4.31 o
0 6 -5 71.74 68.47 1.36 o
0 -6 6 292.80 307.86 0.99 o
0 6 -7 21.53 20.36 0.29 o
0 6 8 81.53 83.14 0.76 o
0 6 9 1.06 1.13 0.25 o
0 6 -10 195.09 193.62 1.02 o
0 6 11 38.03 47.94 1.33 o
0 6 12 32.95 33.27 0.56 o
0 6 -13 5.02 7.45 0.63 o
0 6 -14 119.77 97.51 1.30 o
0 -7 1 1.96 1.25 0.49 o
0 -7 -2 365.94 378.01 2.33 o
0 7 -3 153.36 148.98 2.01 o
0 -7 4 347.29 380.49 1.54 o
0 7 -5 94.42 93.20 1.01 o
0 -7 6 191.46 195.21 0.71 o
0 7 7 6.94 6.70 0.23 o
0 -7 8 93.30 91.40 0.79 o
0 7 -9 70.43 76.29 0.62 o
0 7 10 39.10 41.97 0.51 o
0 7 11 50.20 49.81 1.43 o
0 7 -12 2.11 2.12 0.27 o
0 7 13 9.96 13.62 0.91 o
0 -8 0 17.99 20.72 1.01 o
0 -8 1 106.62 116.17 1.19 o
0 8 -2 0.62 0.31 0.35 o
0 8 -3 144.00 141.87 1.96 o
0 -8 4 216.05 224.60 0.93 o
0 8 5 98.72 96.36 0.84 o
0 8 6 222.38 219.82 0.96 o
0 8 -7 186.84 177.76 0.95 o
0 8 8 174.28 183.92 1.43 o
0 8 9 1.38 1.25 0.26 o
0 8 10 188.50 202.01 1.09 o
0 8 -11 45.76 47.05 1.91 o
0 -8 12 0.42 0.36 0.26 o
0 8 -13 229.98 233.24 2.23 o
0 -9 1 34.72 24.36 0.39 o
0 -9 -2 872.09 850.40 2.28 o
0 9 -3 258.66 252.19 2.36 o
0 9 -4 37.27 29.80 0.40 o
0 9 5 79.77 84.76 0.85 o
0 9 -6 89.11 80.06 0.58 o
0 9 -7 130.46 133.11 0.79 o
0 9 -8 465.66 449.00 2.19 o
0 -9 -9 115.09 122.03 0.98 o
0 -9 10 47.14 50.36 0.67 o
0 9 11 5.83 2.21 1.72 o
0 9 12 105.74 108.13 0.95 o
0 -10 0 387.13 369.85 2.18 o
0 -10 1 492.99 468.58 1.75 o
0 -10 -2 61.12 58.51 0.56 o
0 10 -3 537.81 528.07 4.70 o
0 10 4 4.03 4.10 0.25 o
0 -10 5 90.86 86.66 0.84 o
0 10 -6 193.15 188.04 0.93 o
0 10 -7 1115.83 1166.98 3.03 o
0 10 -8 202.00 195.64 1.69 o
0 10 -9 86.30 87.55 1.07 o
0 10 10 25.00 25.71 0.60 o
0 10 11 58.94 62.96 2.39 o
0 10 12 0.41 0.68 0.28 o
0 -11 1 1.62 2.04 0.30 o
0 11 2 239.03 236.54 1.16 o
0 11 3 405.78 364.07 3.79 o
0 11 4 4.34 3.04 0.29 o
0 11 -5 89.00 89.17 0.92 o
0 11 -6 0.68 0.82 0.26 o
0 -11 7 87.59 93.53 0.84 o
0 11 -8 196.41 201.43 1.64 o
0 11 -9 3.46 3.61 0.39 o
0 11 10 35.01 36.39 0.68 o
0 11 -11 56.47 49.76 0.75 o
0 12 0 1303.89 1319.31 5.14 o
0 -12 -1 0.43 0.71 0.29 o
0 12 2 48.84 46.10 0.56 o
0 -12 3 29.20 22.72 1.11 o
0 12 -4 92.64 93.99 0.73 o
0 -12 5 9.89 9.20 0.61 o
0 12 -6 2.61 2.51 0.28 o
0 -12 -7 26.23 22.24 0.48 o
0 12 8 45.89 54.99 0.90 o
0 12 -9 2.74 3.09 0.31 o
0 -12 10 83.97 84.41 0.91 o
0 13 1 81.81 82.55 0.85 o
0 -13 2 127.71 128.53 0.85 o
0 -13 3 53.34 57.08 1.10 o
0 13 -4 14.63 14.35 0.37 o
0 13 -5 562.28 564.41 2.14 o
0 13 6 40.84 43.81 0.72 o
0 -13 7 4.34 5.00 0.37 o
0 -13 8 52.63 53.08 0.88 o
0 13 -9 84.87 84.77 1.18 o
0 14 0 1.82 3.38 0.52 o
0 -14 1 41.16 45.01 0.55 o
0 14 2 18.60 18.40 0.41 o
0 14 3 88.66 86.26 1.22 o
0 14 4 148.20 142.52 0.93 o
0 14 5 2.97 4.19 0.47 o
0 -14 6 19.07 20.07 0.46 o
0 14 -7 106.67 112.51 1.06 o
0 -14 8 35.62 35.35 0.98 o
0 -15 -1 0.97 1.30 0.29 o
0 -15 2 35.03 37.83 0.48 o
0 15 -3 64.42 66.05 0.93 o
0 15 -4 67.68 71.67 0.74 o
0 15 5 241.49 254.16 1.66 o
0 -15 6 73.06 69.04 0.76 o
0 15 7 2.35 1.74 0.25 o
0 16 0 34.81 34.61 0.83 o
0 -16 -1 148.68 146.75 0.89 o
0 -16 2 0.46 0.41 0.26 o
0 16 -3 54.65 56.36 1.07 o
0 16 4 52.34 55.98 0.79 o
0 16 5 20.94 19.07 0.47 o
0 17 -1 2.04 1.24 0.22 o
0 17 2 31.55 27.48 0.51 o
0 17 3 12.58 9.10 0.96 o
-1 0 15 34.62 44.99 0.70 o
1 0 -13 3.43 3.11 0.38 o
-1 0 11 0.13 1.03 0.39 o
1 0 -9 198.41 197.65 1.81 o
-1 0 7 384.90 355.71 2.37 o
1 0 -5 945.82 986.94 5.79 o
1 0 -3 3387.47 2949.11 9.86 o
1 0 -1 1343.28 1124.99 6.66 o
1 0 1 781.77 747.74 3.38 o
-1 0 -3 3111.72 3163.64 11.49 o
1 0 5 3.02 1.95 0.54 o
-1 0 -7 672.57 726.05 4.31 o
-1 0 -9 7.60 8.36 0.46 o
-1 0 -11 40.85 49.70 0.73 o
1 0 13 20.79 21.25 0.56 o
-1 -1 15 6.70 6.74 0.31 o
-1 -1 14 104.94 111.19 2.23 o
-1 1 13 34.10 38.52 0.47 o
-1 -1 12 55.20 54.31 0.59 o
-1 -1 11 0.52 0.61 0.30 o
-1 -1 10 237.17 224.67 1.21 o
1 1 -9 215.57 218.02 1.20 o
-1 1 8 163.43 163.19 0.81 o
1 -1 -7 14.90 9.73 0.46 o
1 -1 -6 149.05 148.44 1.22 o
-1 1 5 2.66 2.10 0.39 o
1 1 -4 2.02 2.44 0.41 o
1 -1 -3 454.34 434.15 2.39 o
-1 1 2 21.85 18.12 0.47 o
-1 -1 1 3300.55 2957.41 9.61 o
1 1 0 2221.80 2059.34 6.85 o
1 -1 1 2177.62 2086.30 6.48 o
1 1 2 461.01 446.84 2.10 o
1 -1 3 155.56 147.74 1.45 o
1 -1 4 280.57 286.21 2.42 o
-1 1 -5 755.86 774.29 4.23 o
-1 -1 -6 503.30 514.57 4.17 o
-1 1 -7 43.22 37.31 0.68 o
1 1 8 219.84 216.83 1.29 o
1 1 9 44.26 38.52 0.51 o
1 1 10 116.08 116.12 1.38 o
1 -1 11 9.99 8.25 0.37 o
1 -1 12 319.91 318.25 2.66 o
-1 -1 -13 1.88 1.30 0.26 o
1 1 14 34.70 33.95 0.67 o
-1 -2 15 0.24 0.31 0.25 o
-1 -2 14 34.96 38.63 1.54 o
1 2 -13 211.55 216.66 1.08 o
1 -2 -12 130.95 137.54 0.91 o
1 2 -11 103.40 98.17 0.73 o
1 2 -10 292.05 289.48 1.32 o
-1 -2 9 610.61 615.32 2.09 o
-1 2 8 41.06 37.00 0.47 o
1 2 -7 6.45 5.20 0.46 o
1 2 -6 72.01 66.57 0.82 o
1 -2 -5 843.86 880.52 3.62 o
-1 -2 4 246.79 254.82 1.37 o
1 2 -3 2247.70 2141.94 5.39 o
-1 2 2 1.91 2.33 0.36 o
-1 -2 1 3710.95 3523.05 6.78 o
1 2 0 208.13 206.50 1.87 o
-1 2 -1 11.76 15.84 0.68 o
1 2 2 1275.65 1232.19 5.36 o
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1 -2 4 489.52 488.28 4.04 o
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-1 -2 -6 55.09 62.29 1.09 o
-1 -2 -7 809.73 831.81 3.39 o
1 -2 8 726.03 688.52 1.83 o
1 -2 9 299.17 310.86 1.29 o
1 -2 10 162.04 151.92 1.89 o
-1 2 -11 111.76 101.11 0.88 o
1 -2 12 311.57 322.74 1.91 o
1 -2 13 4.11 5.97 0.31 o
1 2 14 1.85 1.27 0.25 o
-1 -3 14 7.89 8.41 1.08 o
1 3 -13 76.84 83.56 0.90 o
-1 3 12 38.16 37.41 0.51 o
-1 -3 11 87.19 87.37 0.69 o
-1 -3 10 37.45 27.06 0.48 o
-1 -3 9 208.38 206.17 1.20 o
1 3 -8 3.87 5.41 0.25 o
1 3 -7 1274.87 1273.74 3.55 o
1 -3 -6 622.31 665.19 2.64 o
1 -3 -5 936.55 997.15 3.20 o
-1 3 4 460.95 472.46 2.39 o
-1 -3 3 249.62 273.08 1.49 o
1 -3 -2 6.67 5.92 0.46 o
1 -3 -1 4225.57 4022.44 15.52 o
-1 -3 0 2154.27 2135.15 6.58 o
-1 -3 -1 294.81 293.90 2.02 o
1 -3 2 272.90 260.34 1.81 o
-1 3 -3 1026.16 1057.94 5.13 o
1 -3 4 328.43 327.98 3.37 o
1 3 5 5.99 6.93 0.65 o
-1 3 -6 35.23 41.04 0.93 o
-1 3 -7 714.29 685.13 2.18 o
1 -3 8 0.38 0.04 0.22 o
1 3 9 602.46 593.51 2.07 o
1 -3 10 76.92 70.67 1.30 o
-1 -3 -11 224.50 210.22 1.14 o
-1 3 -12 57.39 55.42 0.82 o
1 -3 13 154.92 149.26 0.84 o
-1 3 -14 24.66 22.46 0.50 o
-1 -4 14 68.49 67.53 1.30 o
1 4 -13 2.10 2.63 0.28 o
1 4 -12 52.17 49.70 0.57 o
-1 4 11 66.98 63.15 0.59 o
-1 -4 10 3.58 6.25 0.30 o
-1 4 9 1180.36 1180.55 3.66 o
1 -4 -8 113.23 117.40 0.67 o
-1 -4 7 3.68 3.09 0.25 o
1 -4 -6 1193.64 1270.60 4.22 o
1 4 -5 560.19 606.73 2.50 o
1 -4 -4 75.93 85.33 0.80 o
-1 -4 3 29.39 24.85 0.44 o
1 4 -2 100.77 93.52 1.37 o
-1 4 1 4367.32 4692.81 18.45 o
-1 -4 0 0.60 1.80 0.41 o
1 -4 1 684.13 670.65 3.03 o
1 4 2 2483.91 2398.23 5.73 o
-1 -4 -3 239.72 234.82 1.53 o
1 -4 4 559.53 554.95 4.15 o
-1 4 -5 2.00 1.30 0.47 o
1 4 6 71.76 72.17 0.95 o
1 -4 7 649.33 681.05 2.40 o
-1 -4 -8 559.68 577.58 1.80 o
1 -4 9 7.26 9.69 0.33 o
1 4 10 70.16 56.98 1.41 o
-1 4 -11 6.16 9.01 0.31 o
-1 4 -12 65.19 70.11 0.72 o
1 -4 13 3.86 4.60 0.30 o
-1 4 -14 37.52 33.99 0.66 o
-1 -5 14 144.97 132.99 1.88 o
1 5 -13 2.18 3.01 0.27 o
-1 5 12 95.91 88.51 0.82 o
1 5 -11 30.47 31.03 0.46 o
-1 5 10 50.83 48.98 0.56 o
-1 5 9 1149.55 1141.88 3.61 o
-1 5 8 51.75 49.60 0.47 o
-1 -5 7 242.40 222.69 0.86 o
1 -5 -5 11.04 8.81 0.39 o
-1 -5 4 374.77 372.11 1.91 o
1 5 -3 550.41 539.57 2.42 o
-1 -5 2 143.43 142.12 1.86 o
1 -5 -1 726.06 726.77 4.50 o
1 -5 0 220.03 200.31 2.18 o
-1 -5 -1 16.46 11.37 0.55 o
1 -5 2 133.33 119.98 1.04 o
1 -5 3 593.80 595.86 2.24 o
1 -5 4 681.57 633.80 4.25 o
-1 -5 -5 9.97 12.17 0.58 o
1 5 6 454.77 440.67 1.42 o
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-1 5 -8 2.28 3.02 0.24 o
1 -5 9 191.58 175.87 0.84 o
1 -5 10 105.71 100.54 1.84 o
1 5 11 95.93 99.19 0.87 o
-1 5 -12 92.24 93.35 0.89 o
-1 5 -13 21.27 19.34 0.39 o
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1 6 -14 25.49 27.29 0.53 o
-1 6 13 7.31 6.21 0.27 o
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-1 -6 11 37.58 32.27 0.49 o
1 -6 -10 19.96 15.29 0.41 o
-1 -6 9 372.79 372.30 1.74 o
1 -6 -8 49.93 49.02 0.44 o
1 6 -7 113.07 103.36 0.54 o
1 6 -6 192.88 190.70 2.12 o
1 -6 -5 775.69 773.76 2.58 o
1 -6 -4 62.51 60.43 0.73 o
-1 6 3 362.46 333.81 1.51 o
-1 -6 2 32.88 28.89 0.88 o
1 6 -1 78.55 71.72 1.40 o
1 -6 0 885.58 869.10 5.39 o
1 6 1 1593.76 1603.32 3.99 o
-1 6 -2 0.21 0.78 0.33 o
-1 6 -3 114.20 112.53 0.98 o
-1 6 -4 122.51 132.07 2.16 o
1 6 5 470.01 487.41 1.42 o
1 6 6 35.44 33.66 0.34 o
1 -6 7 327.02 340.56 1.33 o
-1 6 -8 0.13 0.49 0.23 o
1 6 9 6.65 5.83 0.28 o
-1 6 -10 30.19 32.99 0.96 o
-1 6 -11 133.06 134.44 0.83 o
1 -6 12 3.96 3.53 0.43 o
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1 7 -13 3.20 2.52 0.26 o
-1 7 12 103.57 98.56 0.82 o
1 7 -11 62.53 57.27 0.64 o
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1 -7 4 663.09 610.72 2.08 o
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1 -7 11 0.23 0.58 0.25 o
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1 8 -6 647.35 614.84 2.42 o
-1 -8 5 22.67 18.38 0.32 o
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-1 -8 3 5.24 8.88 0.34 o
-1 8 2 255.85 270.56 2.08 o
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1 -8 1 61.66 81.44 0.96 o
-1 8 -2 937.10 980.43 5.43 o
1 8 3 142.52 153.16 0.71 o
1 8 4 848.91 848.69 2.53 o
1 8 5 13.73 11.48 0.29 o
1 8 6 28.18 23.73 0.34 o
-1 8 -7 182.09 202.76 1.19 o
-1 8 -8 19.32 16.16 0.37 o
1 8 9 55.44 56.82 0.62 o
1 8 10 215.12 217.26 2.39 o
1 8 11 59.43 63.23 0.76 o
1 -8 12 33.40 30.13 0.66 o
1 -8 13 11.19 11.26 0.57 o
-1 -9 13 4.74 3.88 0.46 o
-1 -9 12 14.46 14.35 0.38 o
1 9 -11 109.12 117.00 0.80 o
-1 9 10 9.76 10.66 0.40 o
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-1 9 8 46.31 40.25 0.51 o
-1 9 7 118.29 115.88 0.80 o
-1 9 6 88.39 89.51 1.12 o
-1 9 5 242.10 245.00 1.06 o
1 9 -4 52.86 45.61 1.14 o
1 9 -3 83.35 86.69 0.66 o
-1 -9 2 41.26 39.79 0.50 o
-1 9 1 477.41 469.78 1.80 o
-1 -9 0 359.35 357.74 1.45 o
1 -9 1 614.88 642.09 1.98 o
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1 -9 3 150.26 137.68 0.70 o
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