#------------------------------------------------------------------------------
#$Date: 2016-04-06 17:02:59 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181902 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/02/2240295.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_2240295
_cell_angle_alpha                90.000
_cell_angle_beta                 107.838
_cell_angle_gamma                90.000
_cell_length_a                   8.2884
_cell_length_b                   17.4526
_cell_length_c                   13.2715
_exptl_crystal_F_000             1452.00
_reflns_d_resolution_high        0.7521
_cod_data_source_file            rz5142Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' c1619 in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            605.57
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_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 11052.56 11619.70 228.60 o
4 0 0 8557.58 8795.23 69.87 o
6 0 0 35655.95 35627.89 364.56 o
8 0 0 7753.14 7488.56 197.41 o
10 0 0 22668.03 20791.62 384.30 o
1 1 0 608.52 1151.65 41.86 o
2 1 0 89108.01 90372.48 764.82 o
3 1 0 19986.72 21191.27 324.50 o
4 1 0 123.12 299.72 27.41 o
5 1 0 249.94 385.42 16.49 o
6 1 0 11437.18 11390.19 209.87 o
7 1 0 852.52 845.99 51.16 o
8 1 0 55151.27 51052.31 399.23 o
9 1 0 2510.97 2375.43 126.34 o
10 1 0 526.01 532.93 75.02 o
1 2 0 38766.80 38470.24 623.83 o
2 2 0 54371.00 55443.73 232.89 o
3 2 0 244.60 372.08 35.10 o
4 2 0 6164.72 6960.45 101.10 o
5 2 0 73577.23 76440.40 458.50 o
6 2 0 21410.16 22031.10 199.46 o
7 2 0 11505.66 11119.29 159.13 o
8 2 0 6568.89 6128.73 129.35 o
9 2 0 616.24 751.75 58.61 o
10 2 0 6509.22 5892.97 147.89 o
1 3 0 6153.42 5893.23 221.05 o
2 3 0 7194.02 7951.97 638.61 o
3 3 0 157496.14 156032.30 438.50 o
4 3 0 20866.93 22417.40 232.33 o
5 3 0 2680.55 3085.22 64.59 o
6 3 0 25543.68 26783.71 316.48 o
7 3 0 1879.94 2009.98 56.55 o
8 3 0 11495.41 10510.29 170.30 o
9 3 0 4900.59 4493.10 236.90 o
10 3 0 3069.99 2863.37 106.04 o
0 4 0 4795.71 3956.17 81.60 o
1 4 0 25309.46 21021.62 374.96 o
2 4 0 53621.55 53485.69 553.55 o
3 4 0 33.76 243.28 24.63 o
4 4 0 46984.47 47542.46 288.22 o
5 4 0 57913.64 60907.66 529.47 o
6 4 0 6373.27 6798.59 224.51 o
7 4 0 2438.04 2356.34 89.21 o
8 4 0 29.53 36.85 42.81 o
9 4 0 2115.89 1911.82 85.62 o
10 4 0 25.42 69.19 58.43 o
1 5 0 19494.49 16612.97 778.32 o
2 5 0 10144.95 9658.63 129.17 o
3 5 0 74947.53 75068.67 793.28 o
4 5 0 73126.76 72634.53 1125.32 o
5 5 0 1545.12 1779.72 73.91 o
6 5 0 23433.71 24988.34 289.35 o
7 5 0 4667.97 4830.94 124.29 o
8 5 0 253.16 338.48 89.49 o
9 5 0 27.56 17.78 105.29 o
10 5 0 10750.54 9519.98 314.55 o
0 6 0 76150.23 65188.68 523.80 o
1 6 0 1584.90 1470.94 52.22 o
2 6 0 67114.29 59224.79 874.01 o
3 6 0 5104.83 4944.53 77.50 o
4 6 0 16398.52 16277.14 404.24 o
5 6 0 162.05 399.33 105.91 o
6 6 0 11875.36 13005.90 528.66 o
7 6 0 10325.32 10708.40 217.61 o
8 6 0 115.02 274.06 88.18 o
9 6 0 3000.19 2889.16 111.87 o
1 7 0 54679.14 47673.48 2995.50 o
2 7 0 13719.08 11809.75 266.36 o
3 7 0 172.37 302.89 41.79 o
4 7 0 70136.21 66383.28 1019.71 o
5 7 0 1891.30 1933.83 97.21 o
6 7 0 14585.12 15445.90 467.23 o
7 7 0 139.75 334.43 65.80 o
8 7 0 1101.01 1355.57 102.66 o
9 7 0 9550.49 8895.91 177.68 o
0 8 0 10425.90 10139.17 192.15 o
1 8 0 38197.43 36004.82 1948.91 o
2 8 0 18838.27 15477.03 194.14 o
3 8 0 12067.89 10668.83 336.99 o
4 8 0 6436.55 6569.08 97.63 o
5 8 0 1387.14 1250.42 51.34 o
6 8 0 1375.39 1472.85 70.07 o
7 8 0 34374.93 36461.70 947.83 o
8 8 0 282.43 367.15 60.68 o
9 8 0 4316.35 4085.66 140.82 o
1 9 0 63746.21 54268.30 1498.43 o
2 9 0 2707.36 2701.42 113.10 o
3 9 0 12780.72 10267.54 340.13 o
4 9 0 12540.25 11370.39 174.80 o
5 9 0 14680.63 14614.40 181.90 o
6 9 0 1456.92 1595.55 62.49 o
7 9 0 3829.46 3881.13 185.82 o
8 9 0 4880.30 5013.53 393.51 o
9 9 0 17400.88 16668.07 398.78 o
0 10 0 42953.90 36166.21 397.46 o
1 10 0 17349.90 15160.18 396.16 o
2 10 0 451.73 787.52 218.50 o
3 10 0 24188.96 20827.57 226.86 o
4 10 0 24.08 168.79 60.10 o
5 10 0 131.40 215.44 41.73 o
6 10 0 6829.30 7135.32 234.64 o
7 10 0 35520.21 36552.67 1375.57 o
8 10 0 242.61 281.15 151.35 o
9 10 0 4349.21 3858.78 184.25 o
1 11 0 45532.04 39067.04 315.13 o
2 11 0 36039.92 32764.88 239.76 o
3 11 0 885.12 993.45 211.20 o
4 11 0 4150.19 3790.71 261.90 o
5 11 0 9536.00 9072.86 221.42 o
6 11 0 404.39 484.57 59.00 o
7 11 0 1851.31 2008.39 101.56 o
8 11 0 15062.98 16326.75 615.61 o
9 11 0 3643.73 3742.97 186.89 o
0 12 0 20861.41 18254.09 209.33 o
1 12 0 15638.64 15011.54 163.02 o
2 12 0 5652.57 5256.88 166.79 o
3 12 0 4630.08 4131.41 90.02 o
4 12 0 1106.41 1191.70 78.17 o
5 12 0 40744.62 39209.38 2000.46 o
6 12 0 10659.86 9937.15 154.95 o
7 12 0 11883.32 12138.58 407.36 o
8 12 0 137.34 228.05 61.85 o
1 13 0 9685.84 8900.31 168.54 o
2 13 0 11534.96 11053.97 380.60 o
3 13 0 64055.75 59173.09 361.28 o
4 13 0 13064.18 12420.79 211.24 o
5 13 0 891.79 968.89 80.95 o
6 13 0 590.40 626.38 134.24 o
7 13 0 796.19 928.89 68.58 o
8 13 0 4545.43 4797.95 327.70 o
0 14 0 67.99 138.26 49.95 o
1 14 0 2783.84 2631.66 65.04 o
2 14 0 4612.67 4391.84 100.09 o
3 14 0 6242.18 6040.44 159.25 o
4 14 0 5819.72 5310.19 294.80 o
5 14 0 45548.96 43183.26 439.20 o
6 14 0 731.13 746.20 82.81 o
7 14 0 5388.82 5602.61 558.02 o
8 14 0 580.72 733.88 116.76 o
1 15 0 2655.91 2580.24 67.32 o
2 15 0 2399.36 2383.30 79.09 o
3 15 0 61502.13 61577.15 508.92 o
4 15 0 2899.92 2553.18 107.01 o
5 15 0 7.95 329.96 193.47 o
6 15 0 773.24 636.95 117.13 o
7 15 0 2561.79 2516.39 127.40 o
8 15 0 5633.66 6136.90 194.17 o
0 16 0 29301.44 28416.11 327.71 o
1 16 0 895.07 1108.19 74.46 o
2 16 0 302.01 377.69 50.59 o
3 16 0 4514.91 4664.38 138.65 o
4 16 0 1592.16 1600.42 94.92 o
5 16 0 36156.83 36780.75 422.45 o
6 16 0 3917.34 3840.84 144.16 o
7 16 0 952.52 1034.96 109.24 o
1 17 0 4423.12 4553.63 89.27 o
2 17 0 24263.78 24293.04 514.46 o
3 17 0 7616.22 7750.34 178.65 o
4 17 0 47.35 155.12 67.92 o
5 17 0 244.16 427.79 92.13 o
6 17 0 1928.27 1856.10 125.03 o
7 17 0 35.16 78.75 151.35 o
0 18 0 42715.70 41118.66 894.94 o
1 18 0 202.70 353.96 46.28 o
2 18 0 1161.38 1378.51 90.14 o
3 18 0 7453.53 7574.08 281.64 o
4 18 0 174.86 302.89 98.71 o
5 18 0 741.22 906.10 91.78 o
6 18 0 11146.50 12035.71 253.64 o
1 19 0 15138.12 15017.98 541.94 o
2 19 0 7474.33 8026.48 200.05 o
3 19 0 1664.45 1711.25 100.46 o
4 19 0 866.95 928.59 103.97 o
5 19 0 1562.83 1802.64 207.94 o
0 20 0 15597.37 15796.35 243.74 o
1 20 0 8734.40 9435.92 164.92 o
2 20 0 2588.55 2825.62 121.90 o
3 20 0 2556.50 2938.69 125.62 o
4 20 0 657.39 873.09 95.84 o
1 21 0 10527.91 11542.60 694.90 o
2 21 0 97.33 329.44 81.83 o
3 21 0 726.09 939.00 156.61 o
4 21 0 7953.20 9288.98 315.86 o
0 22 0 234.43 400.09 123.71 o
1 22 0 2920.61 3287.35 130.29 o
2 22 0 12793.60 14391.59 365.87 o
3 22 0 65.81 21.06 123.71 o
1 23 0 1069.23 1205.79 214.52 o
-9 0 1 49174.61 44465.49 550.13 o
-7 0 1 16683.75 16709.11 273.75 o
-5 0 1 2038.59 2188.77 77.84 o
-3 0 1 24128.81 26178.15 250.06 o
-1 0 1 5576.16 5407.86 42.81 o
1 0 1 366714.41 315801.59 1958.35 o
3 0 1 4961.00 4794.36 81.62 o
5 0 1 12739.96 13723.42 156.16 o
7 0 1 85295.78 81745.12 715.95 o
9 0 1 17.02 -2.63 65.80 o
-10 1 1 545.02 624.80 106.60 o
-9 1 1 18.96 52.64 63.17 o
-8 1 1 3481.98 3374.48 94.92 o
-7 1 1 49717.18 48866.52 987.07 o
-6 1 1 6929.48 7038.21 96.50 o
-5 1 1 88095.04 89982.38 626.86 o
-4 1 1 9556.57 10351.08 89.66 o
-3 1 1 3855.16 4427.84 61.12 o
-2 1 1 24667.09 25383.12 915.61 o
-1 1 1 239754.41 208959.36 2536.42 o
1 1 1 12521.82 13431.06 750.63 o
2 1 1 3440.90 3764.58 72.33 o
3 1 1 59453.95 62621.93 382.68 o
4 1 1 23777.37 25759.06 125.44 o
5 1 1 2953.95 3161.17 38.94 o
6 1 1 955.23 1041.25 39.89 o
7 1 1 2846.04 2867.45 84.67 o
8 1 1 1397.40 1265.16 63.28 o
9 1 1 36400.69 33425.84 805.45 o
10 1 1 2126.85 2019.68 100.02 o
-10 2 1 5728.42 5249.72 138.65 o
-9 2 1 14197.88 13521.79 203.80 o
-8 2 1 44.91 185.95 42.11 o
-7 2 1 17294.73 16444.87 260.59 o
-6 2 1 1748.47 1911.00 41.14 o
-5 2 1 4209.45 4663.57 108.40 o
-4 2 1 99566.49 104621.95 1470.55 o
-3 2 1 6330.81 7211.87 139.94 o
-2 2 1 6099.54 6496.38 137.08 o
-1 2 1 8804.96 10707.64 88.12 o
0 2 1 29784.79 30670.66 875.92 o
1 2 1 99744.60 93032.79 3857.87 o
2 2 1 132107.97 130055.23 938.41 o
3 2 1 52450.08 54763.88 402.59 o
4 2 1 0.05 169.74 30.66 o
5 2 1 12459.15 13046.62 177.82 o
6 2 1 18759.17 19004.44 153.81 o
7 2 1 35076.68 33456.05 614.61 o
8 2 1 5433.13 5112.90 118.18 o
9 2 1 593.49 534.42 55.74 o
10 2 1 75.64 89.32 56.74 o
-10 3 1 3667.16 3420.19 153.98 o
-9 3 1 2074.49 2109.42 87.42 o
-8 3 1 11386.44 10916.04 298.75 o
-7 3 1 10125.23 10112.54 153.54 o
-6 3 1 24952.29 25041.32 159.56 o
-5 3 1 36603.20 37936.01 410.70 o
-4 3 1 8440.13 9060.77 98.94 o
-3 3 1 40729.92 43047.27 747.69 o
-2 3 1 16711.31 15941.55 303.63 o
-1 3 1 49975.39 48370.85 614.72 o
0 3 1 5826.21 5919.95 65.18 o
1 3 1 19226.52 17996.41 881.50 o
2 3 1 54166.38 55578.33 525.05 o
3 3 1 780.04 1291.06 52.80 o
4 3 1 125035.69 130298.70 566.84 o
5 3 1 5669.45 6124.38 61.95 o
6 3 1 65.57 211.80 35.65 o
7 3 1 16058.51 15883.53 376.19 o
8 3 1 474.77 458.86 78.97 o
9 3 1 6246.88 5916.02 139.56 o
10 3 1 8348.97 7580.69 242.16 o
-10 4 1 3310.05 3064.01 238.21 o
-9 4 1 170.24 131.61 48.39 o
-8 4 1 3634.47 3707.14 103.29 o
-7 4 1 3366.79 3428.92 92.70 o
-6 4 1 1011.13 1293.43 77.17 o
-5 4 1 26260.44 27350.74 411.08 o
-4 4 1 95657.50 95320.23 1002.62 o
-3 4 1 28177.62 28604.28 520.11 o
-2 4 1 32425.67 33363.05 560.88 o
-1 4 1 7514.47 6656.84 211.57 o
0 4 1 5397.51 4844.24 101.37 o
1 4 1 5433.25 4467.57 376.88 o
2 4 1 48002.82 44864.58 1966.34 o
3 4 1 97493.91 102298.20 646.25 o
4 4 1 152.35 272.64 22.42 o
5 4 1 46759.98 50401.58 638.65 o
6 4 1 36645.98 38320.24 866.31 o
7 4 1 578.61 623.47 82.43 o
8 4 1 2270.14 2278.88 85.56 o
9 4 1 2957.94 2582.63 106.60 o
-10 5 1 3635.75 3438.17 116.32 o
-9 5 1 4894.67 4586.41 146.09 o
-8 5 1 39.62 229.55 94.76 o
-7 5 1 715.15 932.29 45.98 o
-6 5 1 10926.79 11545.28 122.72 o
-5 5 1 7552.62 8338.06 129.50 o
-4 5 1 5450.33 5565.87 88.49 o
-3 5 1 134204.70 122365.17 4029.79 o
-2 5 1 14519.87 15411.12 106.33 o
-1 5 1 16724.33 15092.77 1003.87 o
0 5 1 106.36 170.62 22.70 o
1 5 1 12364.93 10860.53 592.53 o
2 5 1 5251.93 4926.61 296.34 o
3 5 1 27394.39 28653.22 471.48 o
4 5 1 37311.93 37895.94 176.43 o
5 5 1 30223.72 31053.74 620.59 o
6 5 1 3259.22 3414.55 72.36 o
7 5 1 20653.53 20846.32 341.09 o
8 5 1 341.65 290.71 49.09 o
9 5 1 10.31 17.22 53.02 o
-10 6 1 88.68 51.79 60.47 o
-9 6 1 399.32 517.76 176.36 o
-8 6 1 6723.86 6459.57 139.56 o
-7 6 1 430.56 594.36 53.86 o
-6 6 1 12600.29 13073.64 175.68 o
-5 6 1 20142.51 20704.11 641.97 o
-4 6 1 3248.13 3380.05 87.00 o
-3 6 1 23457.67 23005.50 875.34 o
-2 6 1 77109.29 75570.35 424.90 o
-1 6 1 104473.32 90649.76 3368.22 o
0 6 1 463.84 1600.12 812.06 o
1 6 1 18320.76 16067.24 1255.00 o
2 6 1 1133.19 1178.08 64.59 o
3 6 1 57863.37 53030.29 2410.23 o
4 6 1 901.30 1039.11 41.29 o
5 6 1 38507.04 39803.81 538.54 o
6 6 1 5246.24 5949.63 96.19 o
7 6 1 8797.22 9191.71 193.47 o
8 6 1 5594.28 5181.51 128.43 o
9 6 1 1769.05 1508.19 80.95 o
-9 7 1 3905.62 3857.46 119.12 o
-8 7 1 22147.00 21657.61 365.87 o
-7 7 1 3182.30 3416.69 79.77 o
-6 7 1 285.73 496.19 99.58 o
-5 7 1 6261.96 6490.19 241.78 o
-4 7 1 160.88 205.31 27.73 o
-3 7 1 70979.96 65512.81 1323.16 o
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-1 7 1 4776.89 4103.12 60.72 o
0 7 1 13466.38 11111.75 537.59 o
1 7 1 13984.25 11197.49 875.98 o
2 7 1 60401.75 51363.64 2073.62 o
3 7 1 18082.38 16143.07 483.26 o
4 7 1 104.54 270.10 74.69 o
5 7 1 22683.51 24289.38 400.88 o
6 7 1 15228.65 16186.89 659.74 o
7 7 1 8493.60 8295.78 169.78 o
8 7 1 7071.02 7042.35 187.66 o
9 7 1 170.06 132.93 59.22 o
-9 8 1 5615.93 5504.56 144.24 o
-8 8 1 5681.20 5955.07 475.11 o
-7 8 1 118.25 220.91 94.76 o
-6 8 1 38837.67 38600.04 1015.39 o
-5 8 1 9922.32 9829.84 496.03 o
-4 8 1 195.51 280.03 41.79 o
-3 8 1 1979.66 1972.03 46.31 o
-2 8 1 18600.19 17272.42 169.93 o
-1 8 1 44724.35 38226.44 288.05 o
0 8 1 87825.11 86589.08 6411.16 o
1 8 1 2204.93 2084.27 91.72 o
2 8 1 32054.41 28063.25 1048.24 o
3 8 1 4178.09 3842.87 307.74 o
4 8 1 2584.70 2564.25 116.52 o
5 8 1 20561.31 20631.17 277.30 o
6 8 1 167.66 418.57 96.15 o
7 8 1 1280.51 1520.86 72.72 o
8 8 1 18707.26 19122.58 634.36 o
9 8 1 218.21 213.79 63.28 o
-9 9 1 32.83 95.42 63.17 o
-8 9 1 36872.38 37861.06 1496.50 o
-7 9 1 1232.75 1378.58 107.79 o
-6 9 1 1198.22 1178.73 55.92 o
-5 9 1 3881.01 4048.40 86.28 o
-4 9 1 486.08 503.15 34.74 o
-3 9 1 2053.62 2004.48 139.89 o
-2 9 1 17767.65 15892.95 714.64 o
-1 9 1 18148.47 14559.76 394.85 o
0 9 1 56865.58 56564.32 3975.29 o
1 9 1 369.87 374.35 36.51 o
2 9 1 99505.30 100935.87 392.45 o
3 9 1 5290.46 4565.88 178.08 o
4 9 1 1179.95 1288.48 54.33 o
5 9 1 32.90 33.94 45.36 o
6 9 1 31746.10 32109.17 1022.24 o
7 9 1 199.26 411.72 97.39 o
8 9 1 6488.78 6615.30 357.98 o
9 9 1 3252.92 3245.35 198.73 o
-9 10 1 10415.18 9999.67 284.28 o
-8 10 1 625.53 745.55 91.35 o
-7 10 1 3195.29 3443.16 455.37 o
-6 10 1 44724.67 44258.80 961.31 o
-5 10 1 3715.00 3642.65 85.75 o
-4 10 1 830.21 910.62 42.44 o
-3 10 1 5465.81 5315.65 381.23 o
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1 11 1 613.10 646.51 45.62 o
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3 11 1 7135.91 6301.90 136.72 o
4 11 1 4762.52 4869.05 359.29 o
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6 11 1 16235.05 16037.34 321.50 o
7 11 1 89.96 108.70 101.31 o
8 11 1 3827.25 3836.52 134.16 o
-8 12 1 2180.69 2165.96 167.59 o
-7 12 1 2473.28 2371.14 83.63 o
-6 12 1 3547.46 3659.74 120.60 o
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-3 12 1 7355.67 6947.92 170.24 o
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0 12 1 33222.13 29786.14 962.80 o
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3 12 1 324.70 451.90 61.34 o
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