#------------------------------------------------------------------------------
#$Date: 2022-06-08 05:33:25 +0300 (Wed, 08 Jun 2022) $
#$Revision: 275905 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/56/70/1567083.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_1567083
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.3773
_cell_length_b                   13.5850
_cell_length_c                   14.0568
_exptl_crystal_F_000             504.00
_reflns_d_resolution_high        0.7989
_cod_data_source_file            hb4398Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' mo_SF_DBMA_0m in P2(1)2(1)2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            164.76
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, 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 0 947.46 936.90 46.99 o
4 0 0 1723.38 1624.53 86.31 o
1 1 0 14722.09 15333.98 414.76 o
2 1 0 203.08 184.91 11.15 o
3 1 0 409.30 403.06 22.74 o
4 1 0 140.10 147.86 22.04 o
5 1 0 53.90 74.09 37.17 o
0 2 0 3415.68 3375.36 105.63 o
1 2 0 17682.69 18576.85 449.28 o
2 2 0 2209.28 2043.76 56.92 o
3 2 0 2871.57 2907.99 103.46 o
4 2 0 473.21 450.84 33.47 o
5 2 0 1050.28 1015.78 57.65 o
1 3 0 11941.53 12283.17 283.21 o
2 3 0 798.43 896.45 26.75 o
3 3 0 869.97 981.83 38.95 o
4 3 0 5.77 -35.49 35.49 o
5 3 0 109.06 74.08 37.94 o
0 4 0 97.57 106.58 6.96 o
1 4 0 4967.84 5154.60 124.98 o
2 4 0 16952.21 17424.13 401.47 o
3 4 0 1.95 -5.85 10.99 o
4 4 0 1497.45 1495.93 70.55 o
5 4 0 28.53 57.13 34.58 o
1 5 0 1450.63 1400.03 33.46 o
2 5 0 660.29 642.91 19.77 o
3 5 0 612.00 575.10 31.42 o
4 5 0 484.28 485.34 39.88 o
5 5 0 60.64 52.65 36.20 o
0 6 0 670.61 641.64 28.68 o
1 6 0 4279.52 4440.13 113.67 o
2 6 0 3352.84 3139.95 92.54 o
3 6 0 4594.62 4801.05 187.40 o
4 6 0 245.23 279.35 34.33 o
5 6 0 27.41 26.37 46.17 o
1 7 0 3381.77 3376.62 92.92 o
2 7 0 205.05 216.31 15.13 o
3 7 0 76.11 64.21 26.65 o
4 7 0 411.28 449.55 41.50 o
0 8 0 7969.16 8006.65 436.66 o
1 8 0 1006.76 1028.08 43.02 o
2 8 0 26.78 18.38 13.90 o
3 8 0 3195.90 3174.24 112.91 o
4 8 0 643.47 643.78 47.01 o
1 9 0 1122.66 1143.13 41.39 o
2 9 0 928.44 937.76 39.09 o
3 9 0 43.32 77.24 18.14 o
4 9 0 358.56 341.49 48.79 o
0 10 0 8375.10 8399.70 459.47 o
1 10 0 3140.16 3164.86 102.27 o
2 10 0 867.95 971.21 42.60 o
3 10 0 17.44 12.27 19.57 o
4 10 0 619.80 483.73 87.34 o
1 11 0 685.65 756.42 33.78 o
2 11 0 1069.49 1146.19 49.31 o
3 11 0 28.76 12.96 30.90 o
4 11 0 117.04 -15.02 81.22 o
0 12 0 5.63 -17.71 33.92 o
1 12 0 3326.55 3262.38 117.60 o
2 12 0 587.65 595.94 34.26 o
3 12 0 68.12 88.10 36.57 o
1 13 0 53.91 52.13 28.91 o
2 13 0 406.02 382.84 31.90 o
3 13 0 30.13 -31.02 50.59 o
0 14 0 3162.85 2948.03 207.79 o
1 14 0 68.23 158.76 34.35 o
2 14 0 1010.86 1014.00 51.31 o
3 14 0 614.15 560.98 65.81 o
1 15 0 12.15 -0.82 35.70 o
2 15 0 210.17 194.02 39.02 o
0 16 0 15.72 18.98 55.75 o
1 16 0 441.30 451.24 56.02 o
1 0 1 8155.57 8240.03 258.56 o
2 0 1 1120.86 1077.40 34.37 o
3 0 1 351.75 357.94 21.50 o
4 0 1 924.03 919.56 44.64 o
5 0 1 550.09 534.53 44.78 o
-5 1 1 9.98 4.14 35.40 o
-4 1 1 487.05 471.83 29.72 o
-3 1 1 4330.84 4310.53 138.26 o
-2 1 1 3079.72 3065.27 81.79 o
-1 1 1 803.75 876.09 35.39 o
0 1 1 4214.84 4054.41 117.50 o
1 1 1 1017.24 1054.62 23.86 o
2 1 1 2973.34 2837.65 87.59 o
3 1 1 4519.41 4378.97 152.53 o
4 1 1 429.39 447.05 27.50 o
5 1 1 11.28 41.94 40.34 o
-5 2 1 252.68 180.71 37.28 o
-4 2 1 1275.02 1292.28 62.34 o
-3 2 1 171.45 188.99 16.70 o
-2 2 1 4531.62 4377.87 155.47 o
-1 2 1 993.07 1018.40 26.20 o
0 2 1 1962.03 2038.61 64.12 o
1 2 1 1184.99 1204.07 27.52 o
2 2 1 4683.09 4556.24 115.86 o
3 2 1 203.79 220.45 11.63 o
4 2 1 1255.88 1185.49 55.79 o
5 2 1 230.94 171.62 37.63 o
-5 3 1 499.93 418.30 42.12 o
-4 3 1 642.60 579.48 38.01 o
-3 3 1 240.81 290.61 18.93 o
-2 3 1 3350.97 3189.08 92.88 o
-1 3 1 1223.01 1281.99 39.49 o
0 3 1 611.72 608.24 16.78 o
1 3 1 1588.21 1536.74 37.07 o
2 3 1 3253.78 3136.82 86.85 o
3 3 1 228.67 230.69 13.70 o
4 3 1 726.60 669.81 37.72 o
5 3 1 392.67 411.69 44.90 o
-5 4 1 162.79 184.82 38.82 o
-4 4 1 456.11 468.95 39.01 o
-3 4 1 3968.98 3966.11 123.89 o
-2 4 1 2593.71 2674.43 66.61 o
-1 4 1 3603.34 3780.92 98.55 o
0 4 1 4515.23 4554.27 110.75 o
1 4 1 3770.14 3902.48 98.25 o
2 4 1 2399.48 2455.94 62.98 o
3 4 1 3950.01 3775.13 135.35 o
4 4 1 434.72 389.73 32.13 o
5 4 1 128.15 131.07 49.63 o
-5 5 1 339.64 275.88 40.86 o
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-3 5 1 98.13 122.72 16.38 o
-2 5 1 730.93 789.72 25.14 o
-1 5 1 9948.61 10404.28 231.81 o
0 5 1 4292.37 4232.70 123.24 o
1 5 1 9259.91 9567.53 256.22 o
2 5 1 812.43 835.21 24.94 o
3 5 1 106.74 112.81 16.11 o
4 5 1 260.15 258.98 29.85 o
5 5 1 401.66 288.51 60.98 o
-5 6 1 137.55 141.52 39.16 o
-4 6 1 676.39 666.73 47.86 o
-3 6 1 1547.56 1622.31 66.73 o
-2 6 1 6196.32 6483.47 177.44 o
-1 6 1 2798.44 2906.06 71.66 o
0 6 1 602.88 562.68 16.02 o
1 6 1 2887.99 2914.46 75.32 o
2 6 1 6492.81 6557.52 224.37 o
3 6 1 1541.35 1482.18 65.45 o
4 6 1 648.27 653.41 43.86 o
5 6 1 135.58 119.32 62.53 o
-4 7 1 680.48 628.73 46.80 o
-3 7 1 937.67 899.08 45.02 o
-2 7 1 501.25 501.58 22.86 o
-1 7 1 2143.91 2223.20 56.49 o
0 7 1 10822.74 10150.41 259.96 o
1 7 1 2229.64 2319.49 67.33 o
2 7 1 414.90 438.39 25.20 o
3 7 1 955.19 906.06 37.44 o
4 7 1 654.84 635.27 66.23 o
-4 8 1 324.27 291.85 40.78 o
-3 8 1 556.47 554.38 29.88 o
-2 8 1 2912.41 3031.36 104.43 o
-1 8 1 4857.42 4709.67 141.48 o
0 8 1 100.61 109.80 15.07 o
1 8 1 4867.63 4965.13 152.70 o
2 8 1 2818.01 2866.62 103.87 o
3 8 1 561.54 569.65 27.42 o
4 8 1 368.17 325.00 37.53 o
-4 9 1 12.04 -0.36 38.31 o
-3 9 1 1172.62 1245.78 49.89 o
-2 9 1 698.48 695.15 32.81 o
-1 9 1 2538.56 2419.21 81.45 o
0 9 1 3669.11 3708.25 145.13 o
1 9 1 2640.26 2546.56 80.96 o
2 9 1 630.28 628.38 34.27 o
3 9 1 1133.10 1145.17 48.81 o
4 9 1 11.94 134.91 67.87 o
-4 10 1 187.97 108.28 49.79 o
-3 10 1 519.75 536.38 29.88 o
-2 10 1 127.47 113.25 19.59 o
-1 10 1 3703.65 3747.98 131.23 o
0 10 1 7695.76 7522.97 291.31 o
1 10 1 3572.55 3704.64 131.21 o
2 10 1 117.44 126.42 17.70 o
3 10 1 540.05 530.93 32.12 o
4 10 1 167.92 82.34 73.99 o
-4 11 1 244.73 101.81 78.44 o
-3 11 1 170.55 185.81 31.27 o
-2 11 1 2721.87 2862.18 102.38 o
-1 11 1 888.92 845.37 36.00 o
0 11 1 67.72 51.15 21.47 o
1 11 1 744.48 790.32 38.21 o
2 11 1 2726.11 2786.84 93.32 o
3 11 1 159.36 112.82 25.26 o
4 11 1 214.60 209.18 82.62 o
-3 12 1 286.78 246.32 40.52 o
-2 12 1 237.91 252.95 27.07 o
-1 12 1 1537.66 1482.88 62.53 o
0 12 1 1572.12 1555.89 69.86 o
1 12 1 1410.08 1461.04 60.16 o
2 12 1 235.00 254.10 27.14 o
3 12 1 310.92 296.92 50.11 o
-3 13 1 337.89 315.12 42.93 o
-2 13 1 872.29 893.72 60.10 o
-1 13 1 507.39 482.63 34.38 o
0 13 1 611.10 600.59 39.42 o
1 13 1 502.78 514.86 37.39 o
2 13 1 844.82 856.11 44.32 o
3 13 1 323.72 238.67 52.51 o
-3 14 1 291.76 286.33 57.07 o
-2 14 1 436.05 472.99 38.91 o
-1 14 1 1529.58 1455.44 79.90 o
0 14 1 218.00 225.79 34.28 o
1 14 1 1552.36 1533.73 84.61 o
2 14 1 431.91 494.02 42.20 o
3 14 1 287.25 276.90 142.14 o
-2 15 1 0.36 58.47 34.96 o
-1 15 1 318.18 361.97 39.82 o
0 15 1 2418.36 2271.71 100.84 o
1 15 1 305.77 340.08 40.62 o
2 15 1 1.75 32.93 43.04 o
-1 16 1 531.16 514.63 45.86 o
0 16 1 63.17 41.88 38.02 o
1 16 1 573.51 508.82 62.85 o
0 0 2 1966.39 1589.43 72.43 o
1 0 2 18910.18 19860.04 761.86 o
2 0 2 2195.52 2330.96 74.84 o
3 0 2 1316.59 1377.76 52.07 o
4 0 2 88.45 51.77 22.11 o
5 0 2 129.39 174.45 36.63 o
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-4 1 2 587.60 653.29 33.70 o
-3 1 2 1275.44 1239.80 50.99 o
-2 1 2 15032.83 15501.12 589.26 o
-1 1 2 13646.49 14492.37 436.93 o
0 1 2 1164.26 1062.26 37.63 o
1 1 2 14652.96 15544.66 385.32 o
2 1 2 14945.86 15265.23 392.85 o
3 1 2 1438.49 1379.70 50.76 o
4 1 2 582.89 586.70 36.99 o
5 1 2 214.75 231.11 36.81 o
-5 2 2 27.87 23.64 33.85 o
-4 2 2 278.20 277.71 25.34 o
-3 2 2 1415.43 1408.60 75.31 o
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-1 2 2 10504.07 10280.48 285.72 o
0 2 2 2864.88 2968.82 96.80 o
1 2 2 9413.38 9514.39 251.91 o
2 2 2 1472.23 1413.56 36.06 o
3 2 2 1477.99 1506.75 46.96 o
4 2 2 258.58 265.72 31.14 o
5 2 2 46.76 69.90 38.12 o
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2 3 2 216.85 212.35 8.06 o
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4 3 2 759.89 758.24 41.39 o
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0 5 2 25224.59 25856.58 626.77 o
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3 5 2 119.30 112.84 16.16 o
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-5 6 2 75.20 70.19 43.39 o
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0 6 2 4972.35 5096.86 124.31 o
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3 6 2 99.29 90.58 17.05 o
4 6 2 105.14 82.24 27.22 o
5 6 2 103.56 159.67 94.30 o
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0 7 2 1276.39 1176.11 36.99 o
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2 7 2 1794.90 1802.50 63.65 o
3 7 2 465.84 442.48 22.07 o
4 7 2 15.51 32.31 29.42 o
-4 8 2 214.33 235.97 39.69 o
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-1 8 2 1477.11 1411.71 43.08 o
0 8 2 79.39 86.89 12.19 o
1 8 2 1535.98 1518.37 48.95 o
2 8 2 987.13 981.31 35.89 o
3 8 2 360.36 328.37 20.40 o
4 8 2 247.47 169.12 68.71 o
-4 9 2 409.94 499.07 48.79 o
-3 9 2 437.36 461.62 32.33 o
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1 9 2 1086.72 1072.20 49.75 o
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3 9 2 424.33 402.15 24.37 o
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-4 10 2 457.13 472.31 55.63 o
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0 10 2 22.35 16.36 25.90 o
1 10 2 618.60 618.91 29.31 o
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3 10 2 222.86 202.05 24.43 o
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0 11 2 186.99 220.77 25.01 o
1 11 2 1259.87 1312.11 49.88 o
2 11 2 486.39 511.03 29.67 o
3 11 2 3120.20 3135.19 177.85 o
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0 12 2 11.41 6.63 25.71 o
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3 12 2 371.92 296.71 50.36 o
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1 13 2 141.41 146.78 30.11 o
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1 14 2 91.50 67.99 42.36 o
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