#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:34:18 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181868 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/98/2019857.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_2019857
_cell_angle_alpha                95.341
_cell_angle_beta                 107.535
_cell_angle_gamma                99.940
_cell_length_a                   9.4184
_cell_length_b                   9.8804
_cell_length_c                   12.5401
_exptl_crystal_F_000             440.00
_reflns_d_resolution_high        0.8409
_cod_data_source_file            su5066Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' MS218 in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            99.20
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
1 0 0 2920.84 2533.19 51.57 o
2 0 0 2048.69 2040.74 9.06 o
3 0 0 1808.05 1786.18 7.38 o
4 0 0 47.41 57.05 0.65 o
5 0 0 1053.50 1062.58 5.58 o
6 0 0 129.74 142.58 1.38 o
7 0 0 8.09 8.91 0.47 o
8 0 0 12.37 15.33 0.72 o
9 0 0 10.04 11.64 1.08 o
10 0 0 4.40 4.60 0.97 o
-10 1 0 0.80 -0.82 0.82 o
-9 1 0 59.74 50.12 1.82 o
-8 1 0 38.57 29.41 0.95 o
-7 1 0 12.56 12.56 0.62 o
-6 1 0 345.57 365.60 2.77 o
-5 1 0 69.36 91.57 0.95 o
-4 1 0 1846.50 1993.74 8.63 o
-3 1 0 419.50 422.00 2.22 o
-2 1 0 197.54 193.03 1.18 o
-1 1 0 6746.15 6045.29 90.47 o
0 1 0 0.07 -0.13 0.09 o
1 1 0 3932.69 3664.18 54.32 o
2 1 0 2640.40 2536.44 10.89 o
3 1 0 105.83 119.10 1.22 o
4 1 0 2447.97 2589.96 10.99 o
5 1 0 331.94 333.49 1.97 o
6 1 0 209.77 208.72 1.64 o
7 1 0 15.13 14.95 0.56 o
8 1 0 47.11 42.68 1.50 o
9 1 0 8.68 6.27 0.87 o
10 1 0 11.77 13.68 1.17 o
-10 2 0 7.36 7.11 1.26 o
-9 2 0 5.02 4.18 0.75 o
-8 2 0 1.76 0.59 0.53 o
-7 2 0 5.62 5.31 0.53 o
-6 2 0 1.08 1.02 0.39 o
-5 2 0 1322.38 1360.61 7.16 o
-4 2 0 233.37 238.60 1.64 o
-3 2 0 827.13 803.48 3.70 o
-2 2 0 2.10 0.84 0.20 o
-1 2 0 899.84 820.13 3.63 o
0 2 0 447.16 413.93 2.97 o
1 2 0 8171.81 7869.17 77.23 o
2 2 0 596.33 601.54 3.32 o
3 2 0 255.21 226.30 1.32 o
4 2 0 365.46 352.22 1.91 o
5 2 0 127.25 126.94 1.15 o
6 2 0 24.10 28.42 0.65 o
7 2 0 41.30 41.72 0.96 o
8 2 0 139.87 133.08 2.11 o
9 2 0 1.88 3.42 0.71 o
-10 3 0 0.33 -0.57 1.01 o
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-6 3 0 305.33 298.19 2.66 o
-5 3 0 262.28 259.78 2.08 o
-4 3 0 839.00 844.97 4.10 o
-3 3 0 4.72 4.57 0.31 o
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-1 3 0 3765.73 3684.85 15.85 o
0 3 0 3897.40 3779.05 17.28 o
1 3 0 4532.43 4476.51 19.82 o
2 3 0 12.63 13.08 0.31 o
3 3 0 172.66 167.89 1.96 o
4 3 0 38.03 30.06 0.63 o
5 3 0 40.07 38.29 0.93 o
6 3 0 266.75 271.22 2.06 o
7 3 0 42.65 40.07 0.87 o
8 3 0 33.61 37.11 1.32 o
9 3 0 12.78 11.31 1.19 o
-10 4 0 0.07 -1.21 0.98 o
-9 4 0 5.21 5.24 0.80 o
-8 4 0 23.86 22.85 1.10 o
-7 4 0 237.13 231.38 3.06 o
-6 4 0 23.18 22.35 0.86 o
-5 4 0 27.68 29.41 0.79 o
-4 4 0 84.96 91.48 1.01 o
-3 4 0 244.92 264.72 1.88 o
-2 4 0 119.74 118.52 1.09 o
-1 4 0 193.58 201.68 1.43 o
0 4 0 2074.33 2130.38 8.74 o
1 4 0 10.28 8.76 0.45 o
2 4 0 1596.84 1612.81 8.69 o
3 4 0 19.99 22.44 0.54 o
4 4 0 236.10 222.63 3.09 o
5 4 0 185.63 178.66 3.10 o
6 4 0 35.21 31.65 0.89 o
7 4 0 6.21 6.16 0.72 o
8 4 0 3.20 2.92 1.31 o
9 4 0 0.40 -0.21 1.28 o
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-9 5 0 0.29 0.20 0.85 o
-8 5 0 7.25 9.47 1.01 o
-7 5 0 159.11 174.68 2.25 o
-6 5 0 12.33 10.83 0.77 o
-5 5 0 85.24 94.30 1.55 o
-4 5 0 1.75 1.27 0.42 o
-3 5 0 702.97 748.35 4.41 o
-2 5 0 872.97 901.09 4.62 o
-1 5 0 19.17 16.45 0.51 o
0 5 0 98.81 98.90 0.92 o
1 5 0 881.71 892.66 4.23 o
2 5 0 330.65 330.40 1.94 o
3 5 0 278.57 280.56 2.77 o
4 5 0 79.48 78.18 1.18 o
5 5 0 71.01 73.80 2.41 o
6 5 0 91.66 91.33 3.03 o
7 5 0 1.72 1.36 1.26 o
8 5 0 4.07 3.45 1.45 o
-10 6 0 0.13 -1.27 0.85 o
-9 6 0 24.77 21.97 1.36 o
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-6 6 0 17.95 16.25 1.00 o
-5 6 0 10.17 10.58 0.72 o
-4 6 0 23.75 24.05 1.45 o
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-2 6 0 320.42 355.04 2.89 o
-1 6 0 33.39 35.83 0.87 o
0 6 0 5.76 5.76 0.48 o
1 6 0 0.01 1.13 0.23 o
2 6 0 90.47 94.09 0.95 o
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5 6 0 14.45 11.77 1.46 o
6 6 0 75.91 87.85 3.82 o
7 6 0 37.69 37.18 3.30 o
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-8 7 0 182.91 203.64 3.65 o
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-6 7 0 14.16 16.24 0.96 o
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-4 7 0 0.02 -0.76 0.66 o
-3 7 0 134.91 148.67 2.12 o
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-1 7 0 44.20 45.17 0.93 o
0 7 0 0.59 1.63 0.39 o
1 7 0 107.51 119.56 1.51 o
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3 7 0 4.13 3.51 0.43 o
4 7 0 26.07 27.16 1.54 o
5 7 0 102.86 114.29 3.70 o
6 7 0 62.70 71.43 2.81 o
7 7 0 0.31 1.47 1.13 o
-9 8 0 4.00 2.95 1.18 o
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-5 8 0 18.25 15.06 1.12 o
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-2 8 0 0.53 -0.15 0.53 o
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0 8 0 28.83 31.99 0.94 o
1 8 0 3.99 5.41 0.48 o
2 8 0 20.89 19.00 1.74 o
3 8 0 1.21 0.73 0.52 o
4 8 0 20.80 17.67 1.22 o
5 8 0 3.11 5.07 1.38 o
6 8 0 0.03 0.47 1.00 o
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-6 9 0 36.38 32.63 1.69 o
-5 9 0 42.59 43.03 2.19 o
-4 9 0 1.67 -0.08 0.86 o
-3 9 0 23.25 17.50 1.24 o
-2 9 0 149.44 147.79 2.35 o
-1 9 0 33.63 34.37 1.67 o
0 9 0 132.23 145.87 2.18 o
1 9 0 66.97 76.74 2.35 o
2 9 0 22.02 22.96 1.77 o
3 9 0 70.49 65.06 1.48 o
4 9 0 16.13 16.16 2.27 o
-7 10 0 40.35 35.41 2.65 o
-6 10 0 10.26 9.60 1.80 o
-5 10 0 32.96 32.97 2.85 o
-4 10 0 1.00 -0.92 0.92 o
-3 10 0 14.26 11.89 1.23 o
-2 10 0 4.32 3.86 1.17 o
-1 10 0 41.39 42.65 3.46 o
0 10 0 3.09 1.99 1.33 o
1 10 0 22.81 19.45 1.38 o
2 10 0 27.71 28.85 2.20 o
3 10 0 10.12 10.34 1.35 o
-5 11 0 0.52 -0.75 1.16 o
-4 11 0 0.00 -1.32 1.46 o
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-2 11 0 1.61 0.35 1.30 o
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0 11 0 6.30 6.04 1.30 o
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-1 -11 1 2.86 2.75 1.12 o
0 -11 1 7.67 6.90 1.40 o
1 -11 1 0.00 -1.45 1.20 o
2 -11 1 2.04 -1.20 1.32 o
3 -11 1 3.97 1.80 1.62 o
4 -11 1 2.92 -0.49 1.58 o
5 -11 1 0.00 -1.49 1.92 o
-3 -10 1 13.99 12.08 1.08 o
-2 -10 1 0.05 -0.48 0.87 o
-1 -10 1 12.09 9.70 1.21 o
0 -10 1 34.63 35.59 2.47 o
1 -10 1 15.00 12.60 1.48 o
2 -10 1 0.09 -1.14 0.76 o
3 -10 1 14.66 14.88 1.48 o
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5 -10 1 18.64 14.22 1.36 o
6 -10 1 19.45 22.16 2.98 o
7 -10 1 4.57 4.96 2.06 o
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0 -9 1 1.27 -0.09 0.65 o
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2 -9 1 30.02 30.12 1.45 o
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4 -9 1 27.48 23.73 1.33 o
5 -9 1 39.33 36.86 1.97 o
6 -9 1 65.50 71.18 2.27 o
7 -9 1 3.66 4.66 1.16 o
8 -9 1 84.35 97.55 5.08 o
-6 -8 1 19.11 14.13 1.69 o
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-4 -8 1 0.35 -0.02 0.81 o
-3 -8 1 0.34 0.68 0.48 o
-2 -8 1 118.78 112.38 2.42 o
-1 -8 1 63.65 64.97 1.27 o
0 -8 1 109.90 109.86 1.69 o
1 -8 1 7.49 9.31 0.67 o
2 -8 1 6.35 4.48 0.63 o
3 -8 1 4.22 2.01 0.73 o
4 -8 1 5.59 5.55 0.79 o
5 -8 1 32.20 24.79 1.37 o
6 -8 1 166.99 168.09 2.87 o
7 -8 1 164.26 180.23 3.04 o
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-5 -7 1 45.96 47.09 1.39 o
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-3 -7 1 104.98 91.11 1.15 o
-2 -7 1 28.19 25.42 0.75 o
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0 -7 1 204.60 217.00 1.97 o
1 -7 1 18.40 18.90 0.73 o
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1 -4 1 1248.80 1290.93 5.58 o
2 -4 1 33.99 31.07 0.62 o
3 -4 1 96.10 108.46 1.08 o
4 -4 1 32.95 33.88 0.79 o
5 -4 1 114.69 120.85 1.46 o
6 -4 1 0.05 -0.74 0.49 o
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8 -4 1 1.23 -1.02 0.68 o
9 -4 1 13.89 12.56 1.11 o
10 -4 1 28.36 30.99 1.97 o
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-5 -3 1 286.53 297.63 1.82 o
-4 -3 1 8.19 8.01 0.28 o
-3 -3 1 201.33 202.84 1.24 o
-2 -3 1 469.68 443.87 2.12 o
-1 -3 1 8537.39 8330.15 36.09 o
0 -3 1 159.06 139.53 0.97 o
1 -3 1 214.20 191.69 1.21 o
2 -3 1 228.16 240.15 1.57 o
3 -3 1 440.05 417.54 2.35 o
4 -3 1 269.98 309.75 1.95 o
5 -3 1 1600.74 1676.53 8.83 o
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7 -3 1 18.35 19.97 0.86 o
8 -3 1 0.00 -0.83 0.55 o
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10 -3 1 7.78 6.64 1.30 o
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-3 -2 1 240.06 253.61 1.41 o
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0 -2 1 4399.40 4203.07 16.82 o
1 -2 1 5335.31 5063.82 22.00 o
2 -2 1 124.31 118.32 1.02 o
3 -2 1 194.43 185.94 1.32 o
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7 -1 1 37.58 37.43 0.94 o
8 -1 1 23.93 23.79 1.02 o
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-3 0 1 132.14 125.83 0.89 o
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