#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:30:44 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181866 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/96/2019605.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2019605
_cell_angle_alpha                90.000
_cell_angle_beta                 92.510
_cell_angle_gamma                90.000
_cell_length_a                   8.4071
_cell_length_b                   11.7144
_cell_length_c                   13.2659
_exptl_crystal_F_000             1072.00
_reflns_d_resolution_high        0.7098
_cod_data_source_file            fa33442sup3.hkl
_cod_data_source_block           2
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' mo_DBD_SOL0007_0m in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            390.07
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
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
2 0 0 32547.03 33466.80 462.84 o
4 0 0 135779.44 139535.41 1509.19 o
6 0 0 53616.04 52914.06 638.73 o
8 0 0 39453.69 39779.41 533.06 o
10 0 0 41739.44 42008.02 728.24 o
1 1 0 63844.58 63125.26 1049.49 o
2 1 0 8171.29 8339.12 99.88 o
3 1 0 70108.81 69261.76 589.93 o
4 1 0 1091.74 1147.05 50.25 o
5 1 0 41812.33 41975.61 358.62 o
6 1 0 3593.08 3729.88 74.02 o
7 1 0 17993.62 18067.39 200.68 o
8 1 0 4.00 35.57 33.16 o
9 1 0 16971.52 16801.37 232.97 o
10 1 0 764.30 733.82 69.60 o
11 1 0 18224.16 18805.23 385.36 o
0 2 0 989.99 985.36 40.67 o
1 2 0 100.16 117.41 18.77 o
2 2 0 10981.13 11268.92 148.31 o
3 2 0 187.24 261.16 20.81 o
4 2 0 3082.14 3162.82 56.54 o
5 2 0 190.45 215.73 24.32 o
6 2 0 1058.69 1208.59 73.27 o
7 2 0 737.84 686.76 45.89 o
8 2 0 5497.44 5530.11 117.40 o
9 2 0 1328.73 1272.21 83.43 o
10 2 0 134.00 76.10 52.71 o
11 2 0 8.49 65.99 73.66 o
1 3 0 14137.66 15127.48 217.74 o
2 3 0 2733.41 2780.55 52.45 o
3 3 0 13027.02 12983.26 139.15 o
4 3 0 888.08 909.10 44.22 o
5 3 0 21901.10 22050.17 199.76 o
6 3 0 5026.69 5062.58 88.22 o
7 3 0 3760.58 3814.98 83.59 o
8 3 0 180.82 182.73 42.72 o
9 3 0 3229.94 3223.05 123.35 o
10 3 0 532.43 418.73 77.66 o
11 3 0 5740.27 6067.72 175.98 o
0 4 0 83566.52 84522.91 1130.12 o
1 4 0 7155.06 7377.13 123.01 o
2 4 0 27559.55 25056.02 259.01 o
3 4 0 1007.47 1080.38 42.49 o
4 4 0 34393.62 34321.91 279.03 o
5 4 0 205.44 245.49 28.12 o
6 4 0 20525.68 20775.27 217.64 o
7 4 0 0.69 -4.27 31.52 o
8 4 0 40529.01 39818.01 469.24 o
9 4 0 67.86 45.50 63.66 o
10 4 0 12255.28 12350.84 234.98 o
11 4 0 416.50 405.59 115.09 o
1 5 0 64584.88 66296.88 993.71 o
2 5 0 203.92 191.56 20.87 o
3 5 0 132166.97 134003.88 1087.46 o
4 5 0 3.80 3.60 19.76 o
5 5 0 17719.67 17078.88 203.46 o
6 5 0 674.59 582.69 45.13 o
7 5 0 47252.57 46916.60 480.32 o
8 5 0 5.03 -40.04 40.04 o
9 5 0 15245.51 15583.11 396.39 o
10 5 0 37.28 -17.36 64.27 o
11 5 0 20913.69 21447.92 571.66 o
0 6 0 45912.43 45161.05 632.67 o
1 6 0 3116.85 3304.58 49.17 o
2 6 0 15867.13 15745.42 159.30 o
3 6 0 64.80 84.83 21.62 o
4 6 0 11343.50 10970.56 143.30 o
5 6 0 1452.87 1574.80 67.56 o
6 6 0 10505.84 10520.59 176.15 o
7 6 0 447.74 495.15 55.76 o
8 6 0 12353.39 12226.88 242.92 o
9 6 0 313.03 278.28 123.16 o
10 6 0 7099.92 7556.60 296.54 o
11 6 0 189.19 212.71 156.41 o
1 7 0 12.32 28.23 16.03 o
2 7 0 4314.41 4371.88 88.47 o
3 7 0 401.42 431.12 39.47 o
4 7 0 15.32 65.80 44.02 o
5 7 0 15.26 88.24 34.31 o
6 7 0 1.69 -21.73 35.34 o
7 7 0 558.87 712.52 63.41 o
8 7 0 33.98 21.91 53.08 o
9 7 0 232.73 242.48 70.29 o
10 7 0 1973.83 1850.74 124.46 o
0 8 0 43667.00 42867.40 697.94 o
1 8 0 38.32 47.79 20.39 o
2 8 0 18973.53 18902.34 283.65 o
3 8 0 30.44 72.94 26.94 o
4 8 0 27547.03 26669.54 370.23 o
5 8 0 106.50 68.25 36.15 o
6 8 0 13148.39 12999.87 207.51 o
7 8 0 918.86 895.20 68.45 o
8 8 0 19527.92 19600.02 375.10 o
9 8 0 1105.07 1160.57 100.55 o
10 8 0 5375.69 5113.24 220.45 o
1 9 0 30009.41 29699.86 427.35 o
2 9 0 299.02 310.62 31.57 o
3 9 0 47210.78 47912.92 480.60 o
4 9 0 13.73 31.65 30.31 o
5 9 0 41667.84 40756.62 471.81 o
6 9 0 41.98 2.65 48.17 o
7 9 0 20763.22 20827.44 590.34 o
8 9 0 24.48 57.81 57.27 o
9 9 0 14329.68 14672.70 292.92 o
0 10 0 80094.83 77375.25 1177.61 o
1 10 0 139.35 148.85 39.06 o
2 10 0 19083.66 19214.27 255.27 o
3 10 0 783.63 796.43 46.98 o
4 10 0 25352.26 25044.92 290.76 o
5 10 0 43.41 104.71 39.19 o
6 10 0 21256.17 21147.20 323.96 o
7 10 0 266.81 276.50 53.28 o
8 10 0 19783.29 19256.01 406.09 o
9 10 0 199.82 247.66 87.18 o
1 11 0 2343.76 2372.74 103.75 o
2 11 0 331.42 340.64 59.53 o
3 11 0 5260.43 5370.74 129.98 o
4 11 0 74.22 -24.39 45.53 o
5 11 0 1690.37 1780.37 107.51 o
6 11 0 10.88 -17.75 60.70 o
7 11 0 2249.89 2408.97 137.83 o
8 11 0 230.32 153.88 125.12 o
0 12 0 5060.64 4559.23 325.32 o
1 12 0 3051.83 3217.98 201.82 o
2 12 0 1921.27 1794.60 104.60 o
3 12 0 14.54 -68.42 68.42 o
4 12 0 2382.89 2339.98 101.86 o
5 12 0 0.31 13.24 71.76 o
6 12 0 2243.07 2322.86 131.22 o
7 12 0 145.32 153.39 73.21 o
8 12 0 2610.13 2754.31 276.84 o
1 13 0 14367.71 14663.89 437.85 o
2 13 0 169.33 134.58 99.46 o
3 13 0 25439.75 24686.19 759.94 o
4 13 0 259.84 346.23 60.80 o
5 13 0 18906.45 18553.38 466.09 o
6 13 0 957.84 1256.07 297.95 o
7 13 0 13560.81 14095.31 652.21 o
0 14 0 28092.74 27805.86 963.46 o
1 14 0 46.52 -10.42 97.02 o
2 14 0 18689.09 18123.07 518.66 o
3 14 0 151.77 234.85 116.06 o
4 14 0 19469.50 20090.22 559.04 o
5 14 0 6.00 -7.97 61.96 o
6 14 0 16642.59 16318.23 359.34 o
1 15 0 11745.79 10830.63 405.32 o
2 15 0 0.01 36.83 103.40 o
3 15 0 19705.29 19557.62 1647.74 o
4 15 0 119.93 78.20 182.99 o
0 16 0 1257.74 1087.02 247.12 o
1 16 0 621.78 547.61 148.67 o
2 16 0 175.19 146.51 125.72 o
-11 0 1 33.71 149.63 92.58 o
-9 0 1 1561.29 1781.32 132.66 o
-7 0 1 3665.45 3944.63 236.29 o
-5 0 1 646.79 716.72 67.55 o
-3 0 1 11826.26 12074.92 167.04 o
-1 0 1 1829.50 1981.66 65.69 o
1 0 1 0.97 -30.50 30.50 o
3 0 1 15997.06 15581.09 204.68 o
5 0 1 2913.83 2869.35 84.85 o
7 0 1 1565.71 1584.36 93.64 o
9 0 1 1648.59 1488.33 147.68 o
11 0 1 9.92 -52.92 118.09 o
-11 1 1 15656.64 15604.51 276.34 o
-10 1 1 2306.82 2277.13 126.65 o
-9 1 1 6816.92 6808.52 139.69 o
-8 1 1 69.04 54.98 37.14 o
-7 1 1 14491.80 14783.35 174.57 o
-6 1 1 232.71 196.05 35.94 o
-5 1 1 32876.79 32787.34 290.71 o
-4 1 1 682.47 702.98 31.30 o
-3 1 1 16852.09 16828.75 167.15 o
-2 1 1 6310.83 6531.91 83.40 o
-1 1 1 65566.03 66769.58 867.58 o
1 1 1 13255.54 13200.51 190.76 o
2 1 1 2182.58 2048.32 43.78 o
3 1 1 35237.29 35878.61 294.98 o
4 1 1 15.94 33.94 18.54 o
5 1 1 23293.34 23340.12 220.79 o
6 1 1 477.39 516.99 46.27 o
7 1 1 8574.27 8734.93 126.59 o
8 1 1 10.18 -0.54 32.29 o
9 1 1 12288.03 12568.86 195.60 o
10 1 1 2297.73 2262.88 100.06 o
11 1 1 7729.11 7650.38 203.79 o
-11 2 1 0.81 7.47 73.75 o
-10 2 1 14395.86 14671.34 226.31 o
-9 2 1 3.95 19.69 41.03 o
-8 2 1 40343.55 40201.64 417.09 o
-7 2 1 837.91 880.51 53.06 o
-6 2 1 60097.52 60566.52 480.03 o
-5 2 1 464.33 479.51 29.16 o
-4 2 1 37907.71 38187.29 455.69 o
-3 2 1 138.85 146.60 18.01 o
-2 2 1 84950.28 86831.12 935.69 o
-1 2 1 302.77 313.69 19.92 o
0 2 1 147145.30 142909.72 2602.60 o
1 2 1 2583.06 2499.49 58.49 o
2 2 1 38251.57 38362.46 335.01 o
3 2 1 1067.34 1063.33 60.91 o
4 2 1 126778.00 127522.46 930.97 o
5 2 1 1040.45 989.69 38.07 o
6 2 1 23815.18 23755.12 221.45 o
7 2 1 30.79 30.69 27.46 o
8 2 1 56788.79 57203.75 520.77 o
9 2 1 106.29 53.22 47.39 o
10 2 1 18785.91 19201.39 303.92 o
11 2 1 144.64 169.46 69.85 o
-11 3 1 12081.02 12900.61 253.19 o
-10 3 1 11.86 88.78 56.76 o
-9 3 1 17232.15 17135.78 236.18 o
-8 3 1 153.47 178.30 42.06 o
-7 3 1 19133.16 19354.24 232.05 o
-6 3 1 109.47 152.08 28.46 o
-5 3 1 47564.96 46856.85 374.60 o
-4 3 1 3.51 -15.39 16.42 o
-3 3 1 86909.77 86392.79 732.82 o
-2 3 1 11206.95 10972.93 132.67 o
-1 3 1 11300.14 12008.28 146.20 o
0 3 1 680.67 719.90 26.44 o
1 3 1 65715.34 66115.53 722.77 o
2 3 1 453.31 427.85 30.43 o
3 3 1 91234.77 92679.62 784.44 o
4 3 1 54.51 57.18 18.16 o
5 3 1 46600.78 46867.04 376.38 o
6 3 1 716.01 685.23 38.21 o
7 3 1 47431.54 47144.77 432.41 o
8 3 1 650.75 677.01 51.09 o
9 3 1 8414.74 8454.50 230.71 o
10 3 1 231.38 320.06 66.79 o
11 3 1 26461.13 26930.21 396.79 o
-11 4 1 2.19 -71.62 71.62 o
-10 4 1 1961.49 1827.05 104.86 o
-9 4 1 50.83 100.79 51.08 o
-8 4 1 11903.83 11810.19 230.04 o
-7 4 1 1435.62 1375.37 63.40 o
-6 4 1 1247.66 1372.20 53.32 o
-5 4 1 1578.22 1774.44 54.21 o
-4 4 1 9006.95 9116.66 99.31 o
-3 4 1 5153.85 5669.19 85.66 o
-2 4 1 2374.74 2074.11 46.38 o
-1 4 1 1935.74 1852.38 40.35 o
0 4 1 11051.09 11133.60 142.98 o
1 4 1 24855.64 26137.99 266.02 o
2 4 1 11139.06 11113.13 133.50 o
3 4 1 199.14 232.10 22.22 o
4 4 1 2322.80 2283.90 46.57 o
5 4 1 159.29 176.54 26.33 o
6 4 1 10338.38 10447.86 137.10 o
7 4 1 65.31 86.24 44.82 o
8 4 1 7086.09 6796.98 136.85 o
9 4 1 43.67 30.41 50.55 o
10 4 1 3058.80 3543.99 154.91 o
11 4 1 828.25 805.20 169.70 o
-11 5 1 1451.23 1511.38 159.15 o
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-4 5 1 28.39 1.36 20.30 o
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0 5 1 4199.92 4051.41 56.83 o
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2 5 1 2293.37 2536.42 60.26 o
3 5 1 12251.81 12714.05 191.77 o
4 5 1 459.92 375.55 33.26 o
5 5 1 1937.70 2057.57 64.11 o
6 5 1 5971.40 6030.33 113.36 o
7 5 1 4054.35 3826.91 105.54 o
8 5 1 136.20 97.79 47.78 o
9 5 1 1586.33 1877.90 124.85 o
10 5 1 207.94 218.30 74.75 o
11 5 1 1921.85 1923.79 243.99 o
-11 6 1 220.13 150.15 143.89 o
-10 6 1 10917.78 11189.87 426.76 o
-9 6 1 0.05 24.80 57.88 o
-8 6 1 34511.65 33808.80 481.57 o
-7 6 1 2087.05 2033.84 142.06 o
-6 6 1 10126.64 10192.34 172.50 o
-5 6 1 206.32 224.22 33.32 o
-4 6 1 31557.37 32227.16 325.12 o
-3 6 1 0.79 12.25 19.01 o
-2 6 1 21154.59 21087.92 262.88 o
-1 6 1 677.17 764.29 21.63 o
0 6 1 69606.30 70186.66 539.54 o
1 6 1 2336.72 2510.71 49.03 o
2 6 1 31354.51 30515.69 309.61 o
3 6 1 3.13 -3.21 22.91 o
4 6 1 18030.60 18010.44 232.82 o
5 6 1 45.86 84.79 34.19 o
6 6 1 22313.91 22430.91 324.86 o
7 6 1 1340.78 1210.83 73.95 o
8 6 1 31355.87 30996.07 410.19 o
9 6 1 33.92 49.12 67.98 o
10 6 1 11478.32 11103.42 279.11 o
-10 7 1 190.98 231.81 74.19 o
-9 7 1 27177.62 26823.47 425.77 o
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-7 7 1 19334.23 18878.02 333.68 o
-6 7 1 103.75 95.46 41.09 o
-5 7 1 65042.36 64011.96 682.81 o
-4 7 1 116.83 151.00 29.34 o
-3 7 1 77132.98 77934.76 1144.19 o
-2 7 1 299.81 338.46 26.35 o
-1 7 1 34243.90 35537.33 369.95 o
0 7 1 566.30 668.58 28.96 o
1 7 1 78977.86 80358.92 745.84 o
2 7 1 2.56 3.00 21.03 o
3 7 1 49882.04 50595.88 537.49 o
4 7 1 160.14 187.18 33.98 o
5 7 1 59637.32 59189.31 640.99 o
6 7 1 434.07 446.43 51.35 o
7 7 1 29565.07 29083.71 377.95 o
8 7 1 343.86 309.90 58.19 o
9 7 1 12502.52 12655.33 562.81 o
10 7 1 300.25 326.36 81.06 o
-10 8 1 8251.58 8300.57 269.64 o
-9 8 1 204.87 274.66 70.70 o
-8 8 1 18742.11 18841.93 322.16 o
-7 8 1 8.14 56.56 62.24 o
-6 8 1 29380.87 29317.52 506.81 o
-5 8 1 730.73 842.80 55.02 o
-4 8 1 21938.21 22330.46 275.71 o
-3 8 1 156.71 195.06 28.21 o
-2 8 1 24794.34 25530.14 246.75 o
-1 8 1 13.79 5.09 30.78 o
0 8 1 54713.52 54545.63 473.96 o
1 8 1 21.80 31.96 23.32 o
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3 8 1 18.96 22.86 25.98 o
4 8 1 41174.53 40078.79 451.52 o
5 8 1 27.87 -3.76 50.79 o
6 8 1 13897.08 13739.10 216.91 o
7 8 1 65.67 103.90 67.50 o
8 8 1 17588.50 17288.03 277.12 o
9 8 1 164.45 276.57 84.73 o
10 8 1 11744.62 12082.36 508.32 o
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-8 9 1 81.30 -10.55 52.82 o
-7 9 1 1365.19 1320.98 152.10 o
-6 9 1 119.94 70.54 41.35 o
-5 9 1 1167.62 1203.14 65.06 o
-4 9 1 12.28 44.29 29.51 o
-3 9 1 605.80 709.78 39.90 o
-2 9 1 6442.06 6460.38 101.79 o
-1 9 1 1333.02 1581.62 77.88 o
0 9 1 174.70 181.53 29.71 o
1 9 1 182.61 243.81 30.27 o
2 9 1 1866.26 1916.63 60.53 o
3 9 1 1879.89 1830.07 63.07 o
4 9 1 8.64 46.17 33.07 o
5 9 1 1581.24 1678.89 77.37 o
6 9 1 54.68 90.22 42.92 o
7 9 1 568.57 626.29 64.71 o
8 9 1 149.35 127.28 56.90 o
9 9 1 1005.78 1019.54 96.30 o
-9 10 1 859.35 530.22 161.10 o
-8 10 1 5668.58 5949.89 231.54 o
-7 10 1 965.95 1218.94 122.11 o
-6 10 1 6010.40 5792.86 271.97 o
-5 10 1 44.59 98.05 60.94 o
-4 10 1 8264.90 8052.17 167.07 o
-3 10 1 148.03 129.52 44.00 o
-2 10 1 7427.36 7990.08 186.33 o
-1 10 1 406.74 451.24 58.42 o
0 10 1 21893.75 21799.69 349.95 o
1 10 1 1584.00 1672.33 97.30 o
2 10 1 6352.93 6388.94 97.13 o
3 10 1 2350.06 2467.47 72.94 o
4 10 1 9217.01 8946.72 155.64 o
5 10 1 20.53 102.83 43.12 o
6 10 1 4867.11 4967.62 129.83 o
7 10 1 73.32 86.43 50.34 o
8 10 1 6352.85 6320.38 231.85 o
9 10 1 1191.07 1202.17 124.75 o
-8 11 1 2.93 26.03 80.13 o
-7 11 1 13433.60 13030.90 550.55 o
-6 11 1 9.54 -3.03 57.84 o
-5 11 1 18843.11 18865.14 331.75 o
-4 11 1 75.41 63.82 56.79 o
-3 11 1 23271.83 24040.50 534.17 o
-2 11 1 16.92 34.13 49.45 o
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0 11 1 1027.28 1279.50 130.16 o
1 11 1 16913.84 16268.45 680.01 o
2 11 1 86.95 100.27 35.43 o
3 11 1 28970.24 31132.18 775.54 o
4 11 1 312.97 283.43 59.37 o
5 11 1 21885.92 21291.65 297.06 o
6 11 1 20.61 12.78 43.88 o
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0 13 1 103.41 147.94 93.52 o
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2 13 1 377.92 430.29 121.64 o
3 13 1 10448.61 9541.86 386.32 o
4 13 1 19.83 30.30 52.95 o
5 13 1 6848.83 7542.60 353.48 o
6 13 1 1238.23 1364.83 137.95 o
7 13 1 7876.43 8065.96 319.12 o
-6 14 1 18.35 125.87 75.24 o
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5 14 1 11.14 208.02 173.61 o
6 14 1 97.35 307.47 102.54 o
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-2 15 1 0.15 52.40 115.02 o
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1 15 1 12756.86 12440.77 434.08 o
2 15 1 457.24 539.88 144.73 o
3 15 1 12928.65 13434.84 460.63 o
4 15 1 1.84 73.51 176.74 o
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0 16 1 28795.52 30482.39 773.00 o
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