#------------------------------------------------------------------------------
#$Date: 2018-03-10 10:10:51 +0200 (Sat, 10 Mar 2018) $
#$Revision: 206887 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/24/2242415.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_2242415
_cell_angle_alpha                90.000
_cell_angle_beta                 97.812
_cell_angle_gamma                90.000
_cell_length_a                   6.0861
_cell_length_b                   14.4773
_cell_length_c                   12.0303
_exptl_crystal_F_000             772.00
_reflns_d_resolution_high        0.8300
_cod_data_source_file            hb77183sup4.hkl
_cod_data_source_block           3
_shelx_title                     ' ml288_3 in P 21/n  dunkelrote Leiste'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            566.24
_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
2 0 0 126810.39 123672.73 1871.44 o
4 0 0 6062.79 6043.46 222.00 o
6 0 0 742.91 801.25 103.79 o
1 1 0 5717.72 5950.22 125.82 o
2 1 0 44605.39 44227.44 522.59 o
3 1 0 12284.68 12298.34 215.47 o
4 1 0 24417.95 24309.05 380.59 o
5 1 0 8650.45 8345.18 213.58 o
6 1 0 1890.74 1747.85 104.97 o
7 1 0 1905.28 1953.70 126.04 o
1 2 0 12287.86 12528.67 145.35 o
2 2 0 4301.62 4492.45 102.24 o
3 2 0 7491.59 7303.32 158.12 o
4 2 0 2530.59 2523.00 99.79 o
5 2 0 66.02 16.51 23.66 o
6 2 0 2440.67 2400.77 123.30 o
7 2 0 2973.24 3459.49 165.65 o
1 3 0 24025.48 25154.95 352.32 o
2 3 0 647.18 696.24 40.76 o
3 3 0 524.32 615.36 44.77 o
4 3 0 515.07 453.35 31.59 o
5 3 0 9173.55 9173.06 230.24 o
6 3 0 5.35 0.29 37.17 o
7 3 0 1376.45 1435.27 107.97 o
0 4 0 8651.57 8420.99 368.58 o
1 4 0 13367.43 13798.29 239.95 o
2 4 0 3236.76 3176.06 96.82 o
3 4 0 40597.07 39100.61 558.53 o
4 4 0 354.79 431.57 32.24 o
5 4 0 6914.69 6670.21 195.67 o
6 4 0 165.16 188.04 45.92 o
7 4 0 57.85 31.89 51.70 o
1 5 0 106271.88 104187.89 1227.27 o
2 5 0 4063.81 3904.82 98.06 o
3 5 0 21558.85 21025.81 346.39 o
4 5 0 597.09 642.67 47.51 o
5 5 0 845.67 884.23 73.13 o
6 5 0 1912.16 1744.77 121.20 o
0 6 0 407.02 878.89 133.12 o
1 6 0 1476.23 1565.23 95.67 o
2 6 0 4271.25 4406.12 142.12 o
3 6 0 6005.72 5673.14 163.82 o
4 6 0 19149.17 18890.29 363.31 o
5 6 0 4463.99 4354.97 165.35 o
6 6 0 8931.59 8699.29 261.40 o
1 7 0 20.26 66.40 29.23 o
2 7 0 5648.55 6106.77 186.42 o
3 7 0 132.89 156.86 24.38 o
4 7 0 347.82 362.09 63.81 o
5 7 0 1.00 22.49 27.18 o
6 7 0 2118.00 2182.71 131.28 o
0 8 0 3882.70 3682.49 263.75 o
1 8 0 2832.66 2858.68 161.59 o
2 8 0 742.99 983.81 132.54 o
3 8 0 1814.68 1913.61 76.19 o
4 8 0 1315.66 1330.48 95.39 o
5 8 0 12.56 7.53 31.50 o
6 8 0 756.81 812.55 86.63 o
1 9 0 6493.39 4982.80 355.18 o
2 9 0 2507.96 2574.12 106.21 o
3 9 0 107.50 249.38 35.62 o
4 9 0 3088.94 3065.54 153.34 o
5 9 0 1293.31 1396.65 107.75 o
6 9 0 791.56 912.86 152.63 o
0 10 0 7827.70 8742.80 294.72 o
1 10 0 730.39 798.21 67.62 o
2 10 0 10769.62 11611.91 276.91 o
3 10 0 3287.40 3580.22 177.09 o
4 10 0 5042.28 4920.58 207.96 o
5 10 0 308.63 273.96 56.33 o
1 11 0 1581.45 1912.02 105.26 o
2 11 0 411.05 485.08 88.70 o
3 11 0 4731.42 5095.36 228.22 o
4 11 0 169.42 242.34 62.42 o
5 11 0 4313.86 4201.45 209.81 o
0 12 0 3236.38 3504.76 264.09 o
1 12 0 8.90 43.65 46.00 o
2 12 0 1136.12 1079.70 39.25 o
3 12 0 180.85 201.69 59.16 o
4 12 0 1361.95 1410.37 227.78 o
5 12 0 612.11 572.74 92.35 o
1 13 0 42.15 12.91 54.30 o
2 13 0 1679.63 1495.92 57.66 o
3 13 0 23.95 -9.32 65.33 o
4 13 0 214.15 186.88 81.56 o
0 14 0 408.89 427.10 100.66 o
1 14 0 177.19 202.11 64.36 o
2 14 0 14.30 129.78 52.83 o
3 14 0 770.09 841.23 158.13 o
4 14 0 312.80 311.32 84.83 o
1 15 0 16.50 347.11 133.43 o
2 15 0 16.63 -0.29 57.90 o
3 15 0 2271.88 2309.82 202.46 o
0 16 0 3232.60 3029.44 261.62 o
1 16 0 347.22 443.43 80.30 o
2 16 0 2019.76 2155.35 373.14 o
1 17 0 229.32 386.14 76.90 o
-7 0 1 414.85 391.96 87.32 o
-5 0 1 4914.09 4823.02 222.44 o
-3 0 1 4400.94 4296.85 160.03 o
1 0 1 86917.23 85515.82 1271.78 o
3 0 1 6373.26 6291.60 198.02 o
5 0 1 2233.21 2341.94 151.74 o
7 0 1 2392.07 2526.14 202.07 o
-7 1 1 765.63 718.63 75.46 o
-6 1 1 9502.00 8754.71 244.25 o
-5 1 1 3176.75 3117.56 124.95 o
-4 1 1 14109.36 13159.63 252.73 o
-3 1 1 25957.26 25585.14 362.92 o
-2 1 1 8590.15 8587.94 211.29 o
-1 1 1 10756.25 11721.58 157.16 o
1 1 1 5468.01 5315.44 87.95 o
2 1 1 12350.41 12420.83 191.44 o
3 1 1 5012.18 4912.29 122.33 o
4 1 1 13037.37 12839.35 176.36 o
5 1 1 54.86 137.71 29.94 o
6 1 1 2611.18 2805.75 132.48 o
7 1 1 638.28 603.95 231.09 o
-7 2 1 3970.54 3843.37 174.41 o
-6 2 1 2155.61 2285.71 119.05 o
-5 2 1 12287.00 12036.01 266.38 o
-4 2 1 4815.50 5048.31 144.87 o
-3 2 1 10091.37 10074.94 193.40 o
-2 2 1 11092.84 11468.16 186.92 o
-1 2 1 192.50 221.44 15.11 o
0 2 1 5135.47 5241.28 138.16 o
1 2 1 783.77 856.65 28.33 o
2 2 1 3387.16 3480.91 87.77 o
3 2 1 1822.52 1606.21 68.05 o
4 2 1 1681.90 1848.86 60.33 o
5 2 1 1670.49 1527.52 87.67 o
6 2 1 5030.59 5083.27 182.14 o
7 2 1 33.04 65.68 52.34 o
-7 3 1 1910.35 1887.76 217.89 o
-6 3 1 8752.03 8547.29 243.87 o
-5 3 1 1317.70 1385.91 85.53 o
-4 3 1 10640.57 10351.53 224.28 o
-3 3 1 250.71 214.99 43.20 o
-2 3 1 1180.40 1307.41 56.32 o
-1 3 1 5680.20 6177.21 125.24 o
0 3 1 12920.65 13795.08 373.11 o
1 3 1 12406.62 13051.85 300.76 o
2 3 1 240.27 234.11 33.65 o
3 3 1 7804.15 7339.22 162.65 o
4 3 1 7391.40 7293.09 129.53 o
5 3 1 2829.25 2808.53 217.03 o
6 3 1 1631.35 1590.86 102.21 o
7 3 1 761.18 742.48 81.00 o
-7 4 1 578.56 589.97 73.06 o
-6 4 1 6.07 86.15 45.53 o
-5 4 1 2797.29 2576.78 118.32 o
-4 4 1 10536.95 10053.58 160.29 o
-3 4 1 22288.32 22737.18 352.43 o
-2 4 1 27824.59 28117.50 391.98 o
-1 4 1 57011.65 58108.72 710.46 o
0 4 1 387.84 453.15 23.63 o
1 4 1 30272.85 30790.48 423.37 o
2 4 1 2856.93 2559.76 85.50 o
3 4 1 635.46 751.93 51.39 o
4 4 1 628.84 766.73 51.53 o
5 4 1 166.57 267.95 42.59 o
6 4 1 998.32 1184.31 89.50 o
-7 5 1 15.43 36.89 36.12 o
-6 5 1 666.29 770.81 88.88 o
-5 5 1 2182.45 2334.94 116.15 o
-4 5 1 76.23 262.74 27.74 o
-3 5 1 10363.82 10714.55 265.79 o
-2 5 1 16507.07 16563.29 233.91 o
-1 5 1 152.20 200.07 33.74 o
0 5 1 44375.11 39843.23 520.43 o
1 5 1 20127.87 20952.92 352.26 o
2 5 1 20753.47 21342.11 276.35 o
3 5 1 11567.67 11622.50 234.14 o
4 5 1 4073.24 4328.83 103.46 o
5 5 1 47.92 55.90 42.24 o
6 5 1 2477.70 2397.59 129.08 o
-6 6 1 225.98 239.00 52.90 o
-5 6 1 14799.66 14231.62 323.92 o
-4 6 1 2867.79 2754.52 85.13 o
-3 6 1 5742.10 6039.48 185.22 o
-2 6 1 7024.35 6745.05 181.03 o
-1 6 1 141.57 865.32 29.38 o
0 6 1 5590.40 5910.54 468.39 o
1 6 1 152.95 432.25 66.66 o
2 6 1 549.88 669.31 56.38 o
3 6 1 16256.78 15825.49 300.41 o
4 6 1 12.50 19.09 16.35 o
5 6 1 12732.84 12121.42 289.47 o
6 6 1 122.42 144.92 36.98 o
-6 7 1 1635.25 1402.62 106.19 o
-5 7 1 335.73 331.59 51.17 o
-4 7 1 6974.98 6866.53 167.49 o
-3 7 1 6065.38 6192.47 131.20 o
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-1 7 1 1051.92 1067.82 33.26 o
0 7 1 13905.25 14650.03 982.75 o
1 7 1 5531.17 5774.70 214.12 o
2 7 1 69.77 78.72 30.89 o
3 7 1 2595.63 2529.35 81.23 o
4 7 1 2148.76 2002.94 107.44 o
5 7 1 2074.08 2041.53 116.26 o
6 7 1 985.78 1068.68 154.80 o
-6 8 1 599.34 640.08 75.48 o
-5 8 1 1921.38 1755.45 114.31 o
-4 8 1 4654.76 4484.64 173.81 o
-3 8 1 20.54 28.31 18.80 o
-2 8 1 129.33 294.52 103.97 o
-1 8 1 4649.22 4726.08 120.39 o
0 8 1 9976.08 9755.04 309.68 o
1 8 1 637.51 574.62 77.69 o
2 8 1 31128.64 30144.08 526.51 o
3 8 1 1450.21 1437.65 81.09 o
4 8 1 5750.79 5650.83 193.93 o
5 8 1 1963.83 1722.20 112.48 o
6 8 1 17.94 55.70 35.43 o
-6 9 1 7.69 191.97 76.34 o
-5 9 1 356.07 328.48 55.74 o
-4 9 1 3309.47 3452.11 162.13 o
-3 9 1 2241.74 2291.15 81.69 o
-2 9 1 28782.39 28335.61 448.79 o
-1 9 1 1937.84 1804.57 51.90 o
0 9 1 35685.54 34780.24 533.94 o
1 9 1 577.75 698.72 33.39 o
2 9 1 2218.11 2215.31 93.88 o
3 9 1 32.44 151.00 27.51 o
4 9 1 3912.63 4204.61 177.88 o
5 9 1 1.37 173.41 76.72 o
6 9 1 1990.13 2206.84 142.92 o
-5 10 1 957.66 1041.08 101.57 o
-4 10 1 2791.94 2889.66 159.72 o
-3 10 1 579.78 997.54 94.49 o
-2 10 1 2430.56 2618.44 69.37 o
-1 10 1 1825.80 2167.54 111.24 o
0 10 1 8049.06 8364.78 202.84 o
1 10 1 3998.61 4283.03 94.38 o
2 10 1 14071.45 15102.80 287.62 o
3 10 1 10607.48 10906.38 317.57 o
4 10 1 3785.57 3680.43 177.07 o
5 10 1 5190.90 4986.55 212.25 o
-5 11 1 9.03 82.71 44.40 o
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0 11 1 0.86 460.42 52.29 o
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3 11 1 3750.12 3670.98 193.27 o
4 11 1 10117.03 9606.09 313.89 o
5 11 1 103.40 92.80 38.33 o
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3 12 1 327.31 307.21 68.54 o
4 12 1 1.64 -21.81 67.74 o
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0 13 1 438.20 304.62 60.26 o
1 13 1 12690.52 12353.31 810.83 o
2 13 1 36.52 16.85 14.06 o
3 13 1 10109.04 9962.39 381.50 o
4 13 1 18.91 -42.09 50.53 o
-4 14 1 173.69 163.87 142.99 o
-3 14 1 5075.65 4498.90 270.65 o
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0 14 1 442.97 507.67 120.62 o
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2 14 1 922.04 1093.03 131.39 o
3 14 1 716.77 898.21 122.80 o
4 14 1 125.03 101.81 60.18 o
-3 15 1 9.17 -39.24 65.99 o
-2 15 1 10.23 413.74 93.77 o
-1 15 1 632.40 632.35 95.09 o
0 15 1 180.20 534.54 83.02 o
1 15 1 2563.26 2459.26 225.59 o
2 15 1 696.16 932.24 120.66 o
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-2 16 1 207.26 356.20 88.66 o
-1 16 1 364.38 343.82 132.44 o
0 16 1 878.55 1146.45 115.79 o
1 16 1 1074.46 1003.96 143.57 o
2 16 1 2658.50 2899.67 209.25 o
-1 17 1 945.73 983.78 151.04 o
0 17 1 2864.80 3539.01 203.71 o
1 17 1 15.87 39.70 45.28 o
-6 0 2 886.41 811.43 103.51 o
-4 0 2 8965.42 9141.07 284.98 o
-2 0 2 74209.38 71558.45 1129.32 o
0 0 2 18188.68 13339.18 433.53 o
2 0 2 177.03 245.77 22.19 o
4 0 2 10093.56 10217.44 388.37 o
6 0 2 34.45 -49.68 56.11 o
-7 1 2 2260.37 2431.72 139.69 o
-6 1 2 13.56 16.44 27.97 o
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-4 1 2 3130.77 3145.88 106.79 o
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0 1 2 17335.06 18492.35 1001.74 o
1 1 2 19349.90 20211.06 244.13 o
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3 1 2 25968.04 25738.96 363.88 o
4 1 2 2.86 17.32 15.49 o
5 1 2 10413.97 10046.30 298.74 o
6 1 2 3572.60 3720.65 154.18 o
7 1 2 711.86 782.95 80.92 o
-7 2 2 1516.15 1600.28 112.52 o
-6 2 2 1490.68 1430.34 95.68 o
-5 2 2 17.58 -16.04 26.89 o
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0 2 2 1089.25 1265.21 73.31 o
1 2 2 13072.69 13744.20 189.31 o
2 2 2 23904.55 24194.53 228.94 o
3 2 2 700.07 875.33 50.89 o
4 2 2 16017.73 15787.98 204.63 o
5 2 2 10486.93 10563.00 247.86 o
6 2 2 2860.84 2634.67 129.93 o
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-6 3 2 1858.71 1939.60 112.27 o
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-3 3 2 303.75 330.12 77.85 o
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0 3 2 1669.84 1910.01 80.79 o
1 3 2 1832.34 1894.30 63.30 o
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3 3 2 26274.34 24982.42 367.08 o
4 3 2 5703.98 5737.85 101.97 o
5 3 2 9018.46 8713.49 224.18 o
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5 4 2 1501.61 1483.68 90.08 o
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0 9 2 3482.36 3844.98 151.73 o
1 9 2 22386.54 21824.91 581.04 o
2 9 2 1762.55 1821.41 104.81 o
3 9 2 871.81 1198.61 59.30 o
4 9 2 126.09 167.50 42.68 o
5 9 2 17.50 312.66 64.21 o
6 9 2 65.27 119.53 43.30 o
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2 10 2 465.05 556.79 54.02 o
3 10 2 3124.40 3299.46 135.47 o
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5 10 2 24.78 4.98 36.86 o
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1 11 2 149.87 323.15 25.02 o
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