#------------------------------------------------------------------------------
#$Date: 2019-06-15 07:15:48 +0300 (Sat, 15 Jun 2019) $
#$Revision: 216000 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/16/2021666.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_2021666
_cell_angle_alpha                104.055
_cell_angle_beta                 90.956
_cell_angle_gamma                96.200
_cell_length_a                   6.4360
_cell_length_b                   7.9058
_cell_length_c                   8.3495
_exptl_crystal_F_000             364.00
_reflns_d_resolution_high        0.7504
_cod_data_source_file            yf3176rgr545_a_plsup2.hkl
_cod_data_source_block           rgr545_a_pl
_shelx_title                     ' RGR545_a.res in P-1 New: P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            174.21
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_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 15526.55 11694.58 454.50 o
2 0 0 3432.29 3799.03 53.91 o
3 0 0 5301.97 5412.02 67.86 o
4 0 0 856.34 818.74 18.85 o
5 0 0 3602.00 3677.58 62.27 o
6 0 0 3024.27 3106.32 54.77 o
7 0 0 683.90 711.79 24.58 o
8 0 0 129.62 132.90 14.18 o
-8 1 0 719.23 737.22 25.61 o
-7 1 0 1858.61 1848.64 40.39 o
-6 1 0 2489.32 2505.87 46.61 o
-5 1 0 290.68 299.87 14.49 o
-4 1 0 1911.55 1976.51 34.97 o
-3 1 0 10790.57 10549.30 129.67 o
-2 1 0 14853.26 13295.54 146.20 o
-1 1 0 7659.60 7255.67 74.43 o
1 1 0 533.35 515.03 6.67 o
2 1 0 6085.60 5893.08 58.56 o
3 1 0 14890.23 14174.03 195.89 o
4 1 0 8692.15 8404.58 218.04 o
5 1 0 369.58 407.25 28.13 o
6 1 0 1196.55 1197.43 28.79 o
7 1 0 1256.64 1265.89 32.01 o
8 1 0 597.52 679.27 34.97 o
-8 2 0 669.21 651.33 25.29 o
-7 2 0 84.71 81.08 11.27 o
-6 2 0 569.65 625.59 18.53 o
-5 2 0 6516.26 6563.83 90.83 o
-4 2 0 8133.06 8149.35 109.37 o
-3 2 0 5559.62 5370.90 73.80 o
-2 2 0 114.89 127.37 3.55 o
-1 2 0 1570.52 1625.21 17.63 o
0 2 0 12882.72 11546.47 143.09 o
1 2 0 12637.67 11583.28 112.40 o
2 2 0 12041.54 11813.40 140.40 o
3 2 0 449.49 465.01 10.10 o
4 2 0 915.35 896.62 20.70 o
5 2 0 3792.62 3671.81 111.98 o
6 2 0 2438.23 2455.81 47.09 o
7 2 0 1091.61 1122.57 31.03 o
8 2 0 49.92 65.59 15.97 o
-8 3 0 460.91 456.23 23.90 o
-7 3 0 1706.54 1712.67 34.20 o
-6 3 0 2243.33 2246.00 37.68 o
-5 3 0 2041.76 2057.37 34.78 o
-4 3 0 1132.37 1160.19 19.61 o
-3 3 0 1469.33 1465.95 21.98 o
-2 3 0 21450.89 20093.17 194.02 o
-1 3 0 24073.34 21272.92 278.00 o
0 3 0 2979.36 3045.88 37.67 o
1 3 0 150.03 171.10 4.36 o
2 3 0 1377.19 1381.10 19.14 o
3 3 0 5832.22 5796.73 72.16 o
4 3 0 5751.20 5877.24 82.25 o
5 3 0 1968.96 1965.19 38.36 o
6 3 0 40.00 33.90 12.58 o
7 3 0 157.26 156.72 15.96 o
-8 4 0 967.48 956.29 40.14 o
-7 4 0 597.26 585.37 24.96 o
-6 4 0 61.06 56.65 10.25 o
-5 4 0 1353.52 1399.78 28.00 o
-4 4 0 5860.10 6149.67 83.27 o
-3 4 0 12240.17 12320.05 161.34 o
-2 4 0 3004.29 3031.94 37.86 o
-1 4 0 3.03 5.81 2.06 o
0 4 0 3419.15 3435.91 52.45 o
1 4 0 5601.33 5409.89 73.08 o
2 4 0 11860.44 11651.83 153.06 o
3 4 0 4382.88 4287.71 59.83 o
4 4 0 29.57 29.79 8.00 o
5 4 0 1513.68 1547.54 30.04 o
6 4 0 1486.75 1494.46 36.22 o
7 4 0 896.95 948.60 33.33 o
-7 5 0 1095.84 1120.53 59.88 o
-6 5 0 2859.44 2872.31 51.32 o
-5 5 0 2448.76 2455.88 42.91 o
-4 5 0 1037.94 998.17 18.07 o
-3 5 0 60.61 71.67 4.64 o
-2 5 0 1504.52 1507.34 20.47 o
-1 5 0 8769.45 8648.34 113.76 o
0 5 0 12415.76 12387.78 181.82 o
1 5 0 3891.70 4021.15 63.00 o
2 5 0 3.26 14.09 4.43 o
3 5 0 2322.92 2348.38 35.47 o
4 5 0 3053.07 3063.65 47.56 o
5 5 0 2211.17 2213.14 41.21 o
6 5 0 574.97 612.49 27.42 o
-7 6 0 1602.13 1593.26 45.66 o
-6 6 0 1264.36 1333.22 37.56 o
-5 6 0 100.82 109.57 12.61 o
-4 6 0 2972.15 2998.26 49.40 o
-3 6 0 6909.16 6949.16 106.24 o
-2 6 0 4070.99 4180.09 52.03 o
-1 6 0 1960.09 1993.66 33.24 o
0 6 0 0.82 6.47 5.62 o
1 6 0 1820.60 1856.45 33.43 o
2 6 0 6396.09 6497.84 116.25 o
3 6 0 3900.92 3735.23 63.33 o
4 6 0 836.87 816.99 24.83 o
5 6 0 19.35 51.90 13.06 o
6 6 0 337.17 317.83 21.52 o
-6 7 0 665.48 668.23 29.85 o
-5 7 0 2340.12 2428.18 52.17 o
-4 7 0 3744.09 3771.44 71.81 o
-3 7 0 1774.01 1791.59 37.94 o
-2 7 0 100.64 93.30 7.66 o
-1 7 0 3572.82 3505.52 65.51 o
0 7 0 6817.12 6805.21 104.57 o
1 7 0 3610.98 3649.56 60.31 o
2 7 0 605.58 598.05 22.50 o
3 7 0 43.29 43.85 11.91 o
4 7 0 478.86 458.81 26.23 o
5 7 0 1366.66 1323.54 37.37 o
-6 8 0 1068.57 1057.40 47.14 o
-5 8 0 385.02 428.87 30.88 o
-4 8 0 43.97 54.97 15.30 o
-3 8 0 2183.49 2170.25 58.54 o
-2 8 0 3787.39 3771.21 89.55 o
-1 8 0 3477.63 3526.13 84.41 o
0 8 0 979.63 971.98 24.23 o
1 8 0 17.89 25.63 9.61 o
2 8 0 1918.19 1917.10 56.36 o
3 8 0 2732.62 2825.59 61.92 o
4 8 0 1376.40 1411.13 47.53 o
-4 9 0 2687.69 2760.03 73.69 o
-3 9 0 1779.86 1741.75 52.79 o
-2 9 0 223.66 239.86 46.38 o
-1 9 0 116.73 104.75 13.64 o
0 9 0 1498.26 1498.72 38.93 o
1 9 0 2742.23 2664.65 61.64 o
2 9 0 1958.62 1949.37 49.14 o
3 9 0 220.42 234.04 21.74 o
-2 10 0 1751.00 1779.59 56.21 o
-1 10 0 2896.21 2830.15 62.23 o
0 10 0 1277.65 1214.59 49.41 o
-1 -10 1 633.00 567.77 30.18 o
0 -10 1 3.27 22.49 14.87 o
1 -10 1 885.13 896.15 51.08 o
2 -10 1 2045.87 1994.74 59.51 o
3 -10 1 2470.85 2417.76 68.89 o
-3 -9 1 416.63 414.23 27.14 o
-2 -9 1 3.62 39.99 17.47 o
-1 -9 1 1127.35 1132.07 33.54 o
0 -9 1 3126.18 3001.24 62.47 o
1 -9 1 3278.45 3225.43 80.36 o
2 -9 1 914.64 898.59 47.00 o
3 -9 1 13.73 11.88 15.16 o
4 -9 1 1059.62 1107.90 42.97 o
5 -9 1 1667.95 1692.89 58.08 o
-4 -8 1 35.45 44.89 14.74 o
-3 -8 1 1340.77 1313.43 37.24 o
-2 -8 1 4075.10 4062.67 68.31 o
-1 -8 1 2727.12 2791.75 59.16 o
0 -8 1 652.96 660.05 22.12 o
1 -8 1 152.73 195.45 24.46 o
2 -8 1 1585.96 1575.47 45.94 o
3 -8 1 3551.16 3529.99 85.13 o
4 -8 1 2493.12 2521.44 55.81 o
5 -8 1 762.47 742.96 29.38 o
6 -8 1 12.64 -17.02 17.02 o
-5 -7 1 872.13 813.86 30.88 o
-4 -7 1 3551.02 3654.97 65.07 o
-3 -7 1 2476.06 2500.76 53.43 o
-2 -7 1 122.70 121.34 10.17 o
-1 -7 1 333.48 332.39 15.04 o
0 -7 1 1258.11 1259.96 24.90 o
1 -7 1 6050.96 5897.46 104.21 o
2 -7 1 7120.03 7115.80 124.73 o
3 -7 1 1270.08 1292.73 30.52 o
4 -7 1 732.69 727.69 23.36 o
5 -7 1 1766.58 1738.42 41.67 o
6 -7 1 1565.79 1615.38 56.92 o
-6 -6 1 1073.35 1139.28 40.74 o
-5 -6 1 1307.60 1350.23 34.76 o
-4 -6 1 232.64 246.27 13.35 o
-3 -6 1 154.63 142.28 11.45 o
-2 -6 1 3088.83 3139.03 41.21 o
-1 -6 1 6879.68 6878.97 104.74 o
0 -6 1 8376.71 8215.97 122.37 o
1 -6 1 1051.36 1067.25 15.27 o
2 -6 1 1063.29 1077.34 20.62 o
3 -6 1 4568.68 4624.80 90.91 o
4 -6 1 3499.26 3623.87 68.55 o
5 -6 1 2485.15 2430.06 76.94 o
6 -6 1 613.09 634.08 27.88 o
7 -6 1 48.07 27.84 17.53 o
-7 -5 1 531.73 439.88 27.69 o
-6 -5 1 60.37 51.50 14.08 o
-5 -5 1 304.86 304.67 14.82 o
-4 -5 1 2710.59 2785.42 43.85 o
-3 -5 1 5414.50 5289.05 73.02 o
-2 -5 1 5128.73 5190.08 59.51 o
-1 -5 1 568.51 616.12 9.79 o
0 -5 1 877.83 897.05 13.01 o
1 -5 1 7850.11 8170.45 97.88 o
2 -5 1 8293.33 8317.99 123.40 o
3 -5 1 5313.21 5189.54 92.12 o
4 -5 1 465.03 465.66 11.31 o
5 -5 1 223.06 223.65 18.94 o
6 -5 1 1821.47 1777.08 37.92 o
7 -5 1 1514.97 1534.00 48.99 o
-7 -4 1 120.39 108.18 16.98 o
-6 -4 1 1512.43 1486.22 42.37 o
-5 -4 1 4306.12 4283.17 93.81 o
-4 -4 1 2080.67 2187.40 35.60 o
-3 -4 1 208.27 208.33 8.33 o
-2 -4 1 1263.94 1358.19 19.29 o
-1 -4 1 7243.88 7185.41 80.27 o
0 -4 1 16948.73 15811.67 162.05 o
1 -4 1 6357.46 6423.82 85.01 o
2 -4 1 438.49 451.85 12.06 o
3 -4 1 1024.39 994.25 16.02 o
4 -4 1 3719.08 3712.55 52.06 o
5 -4 1 5904.91 6097.02 94.88 o
6 -4 1 2128.20 2141.51 41.70 o
7 -4 1 60.11 24.90 13.79 o
8 -4 1 199.25 195.64 34.41 o
-7 -3 1 1385.03 1353.13 35.81 o
-6 -3 1 886.00 834.57 34.94 o
-5 -3 1 37.35 49.29 9.30 o
-4 -3 1 911.57 926.70 19.29 o
-3 -3 1 3884.91 3908.10 50.02 o
-2 -3 1 15602.70 14732.04 175.52 o
-1 -3 1 13501.83 12857.00 118.32 o
0 -3 1 638.73 674.20 7.83 o
1 -3 1 9764.03 9760.85 116.39 o
2 -3 1 8646.67 8857.73 91.80 o
3 -3 1 9062.15 9033.80 108.42 o
4 -3 1 3753.75 3688.89 90.13 o
5 -3 1 503.99 533.00 14.47 o
6 -3 1 749.71 708.96 19.26 o
7 -3 1 1345.01 1281.88 29.01 o
8 -3 1 1132.10 1125.09 31.29 o
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-6 -2 1 582.91 553.14 21.30 o
-5 -2 1 4965.43 4862.75 112.29 o
-4 -2 1 6751.95 6507.97 100.26 o
-3 -2 1 3980.70 3989.02 50.77 o
-2 -2 1 23.65 30.67 3.28 o
-1 -2 1 2676.17 2792.84 28.07 o
0 -2 1 15994.56 13666.22 217.34 o
1 -2 1 14864.11 13312.36 157.63 o
2 -2 1 8367.78 8469.76 87.71 o
3 -2 1 388.54 407.23 8.41 o
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5 -2 1 4990.13 4720.18 119.85 o
6 -2 1 3708.34 3601.85 62.42 o
7 -2 1 1058.53 1110.50 26.71 o
8 -2 1 11.48 25.93 13.42 o
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-6 -1 1 2493.51 2485.11 46.08 o
-5 -1 1 2375.14 2377.07 42.93 o
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-2 -1 1 23149.18 19496.74 360.05 o
-1 -1 1 14528.88 12643.57 211.88 o
0 -1 1 4813.90 4627.42 44.82 o
1 -1 1 129.76 128.90 3.11 o
2 -1 1 932.64 917.37 11.52 o
3 -1 1 10734.58 9947.15 266.42 o
4 -1 1 8956.00 8755.09 175.31 o
5 -1 1 3276.00 3357.52 57.02 o
6 -1 1 4.73 9.17 9.77 o
7 -1 1 531.39 542.07 37.04 o
8 -1 1 942.45 950.41 31.14 o
-8 0 1 1134.31 1075.20 29.28 o
-7 0 1 503.80 527.00 22.82 o
-6 0 1 12.48 21.61 8.01 o
-5 0 1 2299.69 2385.36 42.43 o
-4 0 1 5837.19 5907.01 91.14 o
-3 0 1 11670.68 10930.84 114.18 o
-2 0 1 5468.76 5411.47 64.19 o
-1 0 1 688.11 736.81 9.40 o
1 0 1 23529.68 16988.59 541.90 o
2 0 1 30348.19 23937.73 525.73 o
3 0 1 3076.18 3163.65 42.01 o
4 0 1 957.07 1058.60 31.69 o
5 0 1 2063.18 2050.14 48.07 o
6 0 1 1107.38 1158.42 36.55 o
7 0 1 1271.74 1307.78 36.12 o
8 0 1 887.52 802.85 28.95 o
-8 1 1 1.17 10.65 12.83 o
-7 1 1 1064.00 1079.78 25.81 o
-6 1 1 3233.82 3279.92 56.73 o
-5 1 1 4683.46 4653.76 66.47 o
-4 1 1 1701.81 1750.99 25.68 o
-3 1 1 21.49 13.28 2.60 o
-2 1 1 10725.09 10405.95 101.11 o
-1 1 1 18833.66 16017.72 163.57 o
0 1 1 14825.71 13222.82 144.62 o
1 1 1 1755.18 1859.41 20.31 o
2 1 1 995.67 1110.69 13.13 o
3 1 1 2893.63 2735.40 36.31 o
4 1 1 7952.55 7658.38 117.12 o
5 1 1 7011.08 7096.92 110.58 o
6 1 1 762.88 798.01 38.40 o
7 1 1 68.93 45.09 12.57 o
8 1 1 555.12 531.20 32.92 o
-8 2 1 1406.06 1379.45 33.36 o
-7 2 1 1382.03 1393.69 29.94 o
-6 2 1 483.54 457.73 16.27 o
-5 2 1 207.25 215.07 10.55 o
-4 2 1 2429.24 2538.34 37.23 o
-3 2 1 12639.91 12226.22 195.58 o
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-1 2 1 3952.14 4034.99 42.22 o
0 2 1 1902.20 1964.27 23.02 o
1 2 1 5440.57 5439.12 53.63 o
2 2 1 10125.96 9638.13 100.17 o
3 2 1 8367.36 8392.70 102.53 o
4 2 1 2281.90 2366.83 37.35 o
5 2 1 50.03 56.93 9.41 o
6 2 1 1138.23 1086.80 29.10 o
7 2 1 1328.76 1323.87 34.30 o
8 2 1 759.59 757.74 30.74 o
-8 3 1 225.99 209.53 18.40 o
-7 3 1 104.06 113.82 13.76 o
-6 3 1 1644.32 1711.58 34.66 o
-5 3 1 5420.98 5500.34 85.85 o
-4 3 1 4909.27 4904.40 75.46 o
-3 3 1 2683.32 2626.59 31.17 o
-2 3 1 482.71 499.80 7.85 o
-1 3 1 6644.48 6654.23 69.14 o
0 3 1 23375.68 21130.09 388.42 o
1 3 1 11325.93 10808.38 119.87 o
2 3 1 994.19 1061.20 17.06 o
3 3 1 1414.21 1378.31 39.99 o
4 3 1 1644.82 1641.38 28.55 o
5 3 1 2458.70 2450.85 41.27 o
6 3 1 1637.12 1588.61 48.80 o
7 3 1 570.53 572.60 27.03 o
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5 4 1 502.35 526.98 18.90 o
6 4 1 151.88 142.92 14.68 o
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-7 5 1 38.71 64.39 16.64 o
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0 5 1 3515.12 3472.03 54.81 o
1 5 1 9401.17 9535.05 142.52 o
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4 5 1 656.09 674.00 18.60 o
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1 -10 2 523.28 536.15 33.27 o
2 -10 2 465.47 566.71 37.58 o
3 -10 2 2294.80 2317.68 67.08 o
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-2 -9 2 1340.13 1304.64 37.74 o
-1 -9 2 128.49 96.68 14.20 o
0 -9 2 299.42 315.96 25.31 o
1 -9 2 2624.81 2594.97 67.74 o
2 -9 2 3474.60 3360.61 83.42 o
3 -9 2 2015.28 2058.83 58.54 o
4 -9 2 96.89 112.83 23.68 o
5 -9 2 244.51 250.83 24.97 o
-4 -8 2 988.06 1015.17 31.41 o
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-1 -8 2 3133.53 3180.34 54.33 o
0 -8 2 3759.95 3778.07 89.28 o
1 -8 2 1804.45 1833.95 50.45 o
2 -8 2 106.88 109.34 12.32 o
3 -8 2 388.41 413.86 19.41 o
4 -8 2 1979.96 2007.28 45.40 o
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6 -8 2 1205.68 1167.41 39.90 o
-5 -7 2 11.78 -3.85 14.22 o
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-3 -7 2 2142.38 2250.66 49.23 o
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4 -7 2 2149.45 2183.33 46.37 o
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