#------------------------------------------------------------------------------
#$Date: 2017-07-25 11:46:04 +0300 (Tue, 25 Jul 2017) $
#$Revision: 199049 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/80/2108078.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_2108078
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   20.0094
_cell_length_b                   20.0094
_cell_length_c                   8.8987
_exptl_crystal_F_000             1245.00
_reflns_d_resolution_high        0.7967
_cod_data_source_file            ps50562S_100Ksup13.hkl
_cod_data_source_block           2S_100K
_shelx_title                     ' Cl2Py_Co_100K_0m in P-3'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            298.17
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -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
0 1 0 36903.00 19307.98 112.76 o
-1 2 0 7254.40 10526.38 844.28 o
-2 3 0 339.52 278.71 43.09 o
-1 3 0 2404.70 2627.41 45.49 o
0 3 0 3.90 23.17 15.21 o
-3 4 0 922.74 1171.77 54.12 o
-2 4 0 3883.42 3689.27 89.48 o
-1 4 0 18683.44 16348.51 401.96 o
0 4 0 11740.44 9649.60 250.97 o
-4 5 0 22965.41 20740.08 601.58 o
-3 5 0 4934.96 4698.18 136.59 o
-2 5 0 88904.22 78707.76 1700.97 o
-1 5 0 10631.72 9703.95 241.37 o
0 5 0 22150.90 20870.27 574.75 o
-5 6 0 26572.51 23999.74 659.98 o
-4 6 0 2548.31 2314.22 80.22 o
-3 6 0 16270.74 15246.93 357.69 o
-2 6 0 87.99 107.52 18.73 o
-1 6 0 19966.40 17791.91 445.14 o
0 6 0 1077.40 1200.67 65.29 o
-6 7 0 4674.31 3666.67 123.30 o
-5 7 0 2048.73 2323.12 90.45 o
-4 7 0 2662.53 2594.10 89.50 o
-3 7 0 804.77 801.66 57.73 o
-2 7 0 1305.25 1508.55 70.56 o
-1 7 0 5848.08 5339.82 141.94 o
0 7 0 1074.88 1173.57 62.79 o
-7 8 0 2157.60 2635.28 106.19 o
-6 8 0 4621.23 4433.91 140.30 o
-5 8 0 5099.40 4143.54 113.80 o
-4 8 0 9537.77 8738.53 244.05 o
-3 8 0 8196.48 7327.05 170.38 o
-2 8 0 4494.29 4272.38 143.42 o
-1 8 0 2220.31 1923.94 69.77 o
0 8 0 8659.91 7755.03 243.89 o
-8 9 0 4106.23 3642.90 133.38 o
-7 9 0 12605.99 11358.91 298.78 o
-6 9 0 771.72 774.72 56.53 o
-5 9 0 6859.58 6055.31 143.26 o
-4 9 0 2915.89 2615.99 102.36 o
-3 9 0 423.17 545.57 40.08 o
-2 9 0 1552.06 1313.05 69.66 o
-1 9 0 1007.22 1141.97 52.30 o
0 9 0 257.26 285.03 45.83 o
-9 10 0 1163.91 991.34 69.24 o
-8 10 0 16472.22 15446.88 419.54 o
-7 10 0 7623.31 7162.53 194.46 o
-6 10 0 28.83 28.49 22.65 o
-5 10 0 318.39 561.63 44.34 o
-4 10 0 9927.34 8155.42 223.24 o
-3 10 0 12052.33 11487.38 307.03 o
-2 10 0 436.70 603.85 51.76 o
-1 10 0 5037.19 5047.91 154.00 o
0 10 0 885.10 705.12 61.00 o
-10 11 0 2777.72 2584.22 114.05 o
-9 11 0 2062.77 2200.24 98.13 o
-8 11 0 1543.42 1790.40 78.32 o
-7 11 0 14541.99 14256.97 394.13 o
-6 11 0 496.24 582.76 49.36 o
-5 11 0 6296.30 5545.57 167.31 o
-4 11 0 1318.41 1343.50 63.32 o
-3 11 0 830.61 864.62 50.19 o
-2 11 0 974.72 843.68 56.01 o
-1 11 0 1219.12 1185.16 65.66 o
0 11 0 151.49 227.48 38.10 o
-11 12 0 314.58 241.73 42.32 o
-10 12 0 4377.57 3961.74 151.09 o
-9 12 0 790.94 727.72 49.81 o
-8 12 0 875.61 689.87 57.61 o
-7 12 0 1211.29 1069.36 67.27 o
-6 12 0 4520.54 4889.51 144.99 o
-5 12 0 2109.62 1880.24 102.38 o
-4 12 0 245.69 152.31 27.50 o
-3 12 0 208.01 167.16 36.66 o
-2 12 0 4613.04 4215.75 137.60 o
-1 12 0 120.46 145.79 29.76 o
0 12 0 305.91 387.19 44.97 o
-12 13 0 1354.74 1395.33 98.95 o
-11 13 0 1584.10 1552.77 102.27 o
-10 13 0 883.55 974.06 71.65 o
-9 13 0 840.93 809.57 65.04 o
-8 13 0 2934.21 2873.80 119.65 o
-7 13 0 15.29 15.33 26.26 o
-6 13 0 1707.23 1842.05 85.94 o
-5 13 0 625.61 645.29 55.95 o
-4 13 0 34.26 11.91 26.68 o
-3 13 0 1019.76 1006.51 70.94 o
-2 13 0 1061.13 1131.81 71.22 o
-1 13 0 329.95 212.07 41.64 o
0 13 0 147.98 115.22 38.49 o
-13 14 0 90.94 225.61 49.92 o
-12 14 0 7288.98 7289.80 265.80 o
-11 14 0 82.02 64.40 36.25 o
-10 14 0 352.77 191.66 47.55 o
-9 14 0 51.39 47.03 30.54 o
-8 14 0 1445.09 1372.50 99.37 o
-7 14 0 184.34 264.17 40.95 o
-6 14 0 2799.92 2306.64 126.51 o
-5 14 0 76.37 109.87 36.01 o
-4 14 0 1205.60 1066.29 83.44 o
-3 14 0 744.53 631.94 64.84 o
-2 14 0 1320.20 1159.58 86.69 o
-1 14 0 0.33 19.37 27.82 o
0 14 0 107.04 170.74 49.19 o
-14 15 0 368.95 373.75 53.02 o
-13 15 0 345.18 391.14 58.80 o
-12 15 0 1110.61 1213.44 93.53 o
-11 15 0 46.90 47.67 38.00 o
-10 15 0 7.69 43.89 32.38 o
-9 15 0 1022.52 1015.91 87.21 o
-8 15 0 636.82 606.77 66.41 o
-7 15 0 12.35 47.69 34.24 o
-6 15 0 134.84 194.08 52.51 o
-5 15 0 4817.02 4787.22 211.57 o
-4 15 0 102.39 157.86 41.96 o
-3 15 0 38.06 75.70 39.77 o
-2 15 0 1.77 17.99 34.59 o
-1 15 0 656.17 649.38 69.11 o
0 15 0 580.81 619.56 68.12 o
-15 16 0 926.09 796.57 81.47 o
-14 16 0 4245.09 4701.63 232.52 o
-13 16 0 57.43 92.40 44.63 o
-12 16 0 142.34 143.52 49.57 o
-11 16 0 579.06 493.91 61.87 o
-10 16 0 2076.83 1785.45 142.52 o
-9 16 0 391.94 292.56 71.38 o
-8 16 0 77.11 115.01 48.40 o
-7 16 0 1243.11 1252.27 111.62 o
-6 16 0 4974.59 5724.41 237.23 o
-5 16 0 163.20 251.76 111.92 o
-4 16 0 1097.32 1224.00 96.67 o
-3 16 0 0.23 49.98 41.07 o
-2 16 0 395.86 359.94 75.39 o
-1 16 0 16.74 7.43 34.81 o
0 16 0 1.74 98.12 48.98 o
-16 17 0 61.37 83.92 43.64 o
-15 17 0 1162.21 1166.89 110.84 o
-14 17 0 581.14 539.10 80.48 o
-13 17 0 46.30 105.33 45.65 o
-12 17 0 154.72 190.23 62.00 o
-11 17 0 205.60 170.70 55.70 o
-10 17 0 491.23 464.60 69.12 o
-9 17 0 41.95 78.92 49.51 o
-8 17 0 5.25 21.96 40.00 o
-7 17 0 575.66 429.15 76.23 o
-6 17 0 2012.72 2299.31 242.90 o
-5 17 0 89.50 182.48 58.56 o
-4 17 0 95.89 99.12 45.24 o
-3 17 0 430.04 438.74 72.93 o
-2 17 0 245.54 125.14 54.66 o
-1 17 0 16.00 16.16 38.17 o
0 17 0 159.34 344.73 58.78 o
-17 18 0 8.18 76.20 45.58 o
-16 18 0 823.22 763.83 81.68 o
-15 18 0 661.34 832.24 98.12 o
-14 18 0 352.80 282.13 67.16 o
-13 18 0 861.81 809.31 91.03 o
-12 18 0 364.20 331.16 75.32 o
-11 18 0 36.87 40.18 49.49 o
-10 18 0 73.71 81.16 37.33 o
-9 18 0 2.84 44.59 50.29 o
-8 18 0 3325.25 4431.22 210.39 o
-7 18 0 13.76 255.80 80.12 o
-6 18 0 1035.36 986.31 95.00 o
-5 18 0 403.64 428.49 72.06 o
-4 18 0 171.76 87.75 53.46 o
-3 18 0 25.19 56.52 51.03 o
-2 18 0 1797.13 1648.35 139.88 o
-1 18 0 640.33 709.72 80.63 o
0 18 0 1606.21 1982.87 183.57 o
-18 19 0 104.20 108.75 48.69 o
-17 19 0 731.42 744.03 81.82 o
-16 19 0 1125.41 1252.59 120.25 o
-15 19 0 95.86 176.46 60.46 o
-14 19 0 33.43 28.83 50.91 o
-13 19 0 37.26 144.76 63.50 o
-12 19 0 65.17 58.08 53.33 o
-11 19 0 1.30 7.58 39.07 o
-10 19 0 62.03 19.60 51.86 o
-9 19 0 349.72 363.66 87.86 o
-8 19 0 2.45 19.06 46.76 o
-7 19 0 454.74 367.63 73.81 o
-6 19 0 125.72 107.64 53.56 o
-5 19 0 172.25 110.71 57.82 o
-4 19 0 2.52 24.38 48.37 o
-3 19 0 199.05 231.17 68.21 o
-2 19 0 419.10 498.38 79.80 o
-1 19 0 99.46 58.45 53.96 o
0 19 0 8.96 172.38 53.28 o
-19 20 0 106.96 157.64 64.79 o
-18 20 0 1204.71 1293.34 146.31 o
-17 20 0 172.69 124.66 55.45 o
-16 20 0 747.47 953.48 112.11 o
-15 20 0 72.84 142.92 64.96 o
-14 20 0 425.21 470.97 91.44 o
-13 20 0 61.33 90.94 62.65 o
-12 20 0 248.30 358.86 81.38 o
-11 20 0 74.25 116.23 59.68 o
-10 20 0 552.93 477.75 92.66 o
-9 20 0 12.55 61.96 55.94 o
-8 20 0 875.20 1188.00 115.62 o
-7 20 0 301.82 393.88 106.25 o
-6 20 0 1845.13 2214.31 160.60 o
-5 20 0 1.65 110.21 58.72 o
-4 20 0 221.25 125.91 64.40 o
-3 20 0 40.50 25.17 57.11 o
-2 20 0 1392.18 1125.17 124.15 o
-1 20 0 371.28 302.69 96.13 o
0 20 0 401.26 407.33 106.24 o
-20 21 0 38.69 111.11 96.97 o
-19 21 0 211.39 249.70 106.20 o
-18 21 0 928.71 908.53 128.03 o
-17 21 0 174.54 139.87 69.05 o
-16 21 0 18.05 51.52 61.55 o
-15 21 0 11.22 131.44 71.81 o
-14 21 0 491.96 472.67 95.70 o
-13 21 0 0.21 65.99 64.44 o
-12 21 0 1.04 24.63 55.66 o
-11 21 0 49.10 84.52 62.73 o
-10 21 0 451.56 644.65 120.37 o
-9 21 0 423.21 387.92 137.85 o
-8 21 0 50.74 139.78 61.78 o
-7 21 0 21.89 20.98 54.52 o
-6 21 0 545.75 503.22 91.50 o
-5 21 0 11.83 43.33 57.85 o
-4 21 0 508.12 488.88 117.30 o
-3 21 0 176.66 65.85 85.04 o
-2 21 0 7.81 8.59 78.99 o
-1 21 0 23.11 9.80 74.84 o
0 21 0 31.64 140.99 119.29 o
-21 22 0 305.65 113.77 122.64 o
-20 22 0 822.86 863.40 177.56 o
-19 22 0 169.13 225.31 127.07 o
-18 22 0 1007.49 1211.20 172.07 o
-17 22 0 307.84 129.79 117.18 o
-16 22 0 164.82 61.60 93.58 o
-15 22 0 218.61 335.38 100.85 o
-14 22 0 178.84 128.86 74.48 o
-13 22 0 34.93 66.52 70.84 o
-12 22 0 145.23 209.06 85.57 o
-11 22 0 31.25 142.48 82.54 o
-10 22 0 1527.72 1500.58 170.35 o
-9 22 0 432.12 815.72 112.42 o
-8 22 0 1147.94 1415.72 147.56 o
-7 22 0 343.06 587.77 129.86 o
-6 22 0 1962.96 2522.20 245.64 o
-5 22 0 88.28 231.56 101.69 o
-4 22 0 978.46 954.06 163.54 o
-3 22 0 169.43 144.64 96.63 o
-2 22 0 1619.23 1681.52 219.24 o
-1 22 0 913.20 1109.90 206.58 o
-20 23 0 505.10 575.13 166.48 o
-19 23 0 822.56 1023.66 263.20 o
-18 23 0 33.97 82.02 162.09 o
-17 23 0 1.53 2.46 132.09 o
-16 23 0 4.28 2.37 120.90 o
-15 23 0 299.99 97.54 152.15 o
-14 23 0 13.59 3.99 104.57 o
-13 23 0 143.14 168.41 145.58 o
-12 23 0 388.07 460.48 131.94 o
-11 23 0 580.04 482.39 127.18 o
-10 23 0 90.74 79.38 99.12 o
-9 23 0 162.20 226.25 120.11 o
-8 23 0 0.88 28.03 82.55 o
-7 23 0 181.04 117.33 90.25 o
-6 23 0 96.98 206.51 139.73 o
-5 23 0 0.36 4.05 84.01 o
-4 23 0 466.60 756.52 158.58 o
-3 23 0 144.98 173.22 125.57 o
-18 24 0 783.81 395.04 186.89 o
-17 24 0 15.51 170.45 200.41 o
-16 24 0 580.41 809.54 219.60 o
-15 24 0 15.62 137.29 150.66 o
-14 24 0 103.05 137.82 153.28 o
-13 24 0 17.90 57.55 144.81 o
-12 24 0 977.53 987.28 246.93 o
-11 24 0 228.11 334.03 160.33 o
-10 24 0 548.21 497.24 217.63 o
-9 24 0 148.14 214.20 285.25 o
-8 24 0 226.21 244.05 127.46 o
-7 24 0 9.10 64.90 105.27 o
-6 24 0 257.34 375.34 158.84 o
-14 25 0 268.53 295.41 186.11 o
-13 25 0 89.22 68.14 154.96 o
-12 25 0 253.58 124.63 155.98 o
-11 25 0 2.30 0.82 132.31 o
-1 1 1 2684.86 1892.96 540.58 o
0 1 1 177.26 452.26 111.27 o
1 1 1 5898.50 4489.57 315.68 o
-3 2 1 4.22 7.96 26.01 o
-2 2 1 17.24 288.71 68.14 o
-1 2 1 34.27 35.88 70.28 o
0 2 1 17596.64 14077.56 304.96 o
1 2 1 4387.48 4615.03 140.62 o
2 2 1 43403.68 34571.86 999.57 o
-5 3 1 541.28 983.79 72.83 o
-4 3 1 363.92 493.61 39.41 o
-3 3 1 22075.12 23346.84 528.85 o
-2 3 1 4838.99 7182.53 322.75 o
-1 3 1 2487.10 2821.88 100.52 o
0 3 1 7005.27 7713.85 190.43 o
1 3 1 1749.37 2220.98 57.18 o
2 3 1 11376.43 9753.61 202.39 o
3 3 1 884.00 965.91 37.55 o
-7 4 1 3589.24 3003.65 94.61 o
-6 4 1 1609.62 1567.75 71.35 o
-5 4 1 2415.42 2027.59 109.63 o
-4 4 1 926.87 510.82 87.99 o
-3 4 1 3529.17 2212.27 157.96 o
-2 4 1 4774.34 6208.97 302.20 o
-1 4 1 243.35 191.93 25.53 o
0 4 1 2507.94 2444.76 82.11 o
1 4 1 369.32 1109.46 51.63 o
2 4 1 4659.15 4843.17 127.33 o
3 4 1 4253.53 4290.36 119.49 o
4 4 1 6421.97 5697.47 162.17 o
-9 5 1 6824.19 5903.55 172.11 o
-8 5 1 6051.43 4802.33 143.89 o
-7 5 1 2785.77 2600.10 90.75 o
-6 5 1 6489.16 5380.72 119.73 o
-5 5 1 1780.81 2076.54 53.45 o
-4 5 1 16991.48 15106.34 262.35 o
-3 5 1 208.46 493.19 65.20 o
-2 5 1 4953.12 5785.65 184.18 o
-1 5 1 52.80 241.29 21.91 o
0 5 1 1593.73 984.67 53.82 o
1 5 1 1971.88 2526.08 85.32 o
2 5 1 16.12 77.84 26.68 o
3 5 1 3824.97 3374.69 114.19 o
4 5 1 6476.60 5975.01 175.16 o
5 5 1 13375.71 13121.14 348.73 o
-11 6 1 286.51 660.81 59.25 o
-10 6 1 1710.16 1955.65 91.81 o
-9 6 1 26.28 27.29 17.22 o
-8 6 1 5722.16 4001.24 119.87 o
-7 6 1 213.31 243.92 31.91 o
-6 6 1 1215.49 1168.14 76.45 o
-5 6 1 441.12 503.14 67.81 o
-4 6 1 6193.21 5032.80 209.18 o
-3 6 1 3513.65 3224.68 90.71 o
-2 6 1 1382.52 1389.38 73.32 o
-1 6 1 7648.93 6131.93 161.00 o
0 6 1 3471.45 3093.07 114.51 o
1 6 1 13203.57 10440.01 295.38 o
2 6 1 6452.42 4686.37 150.97 o
3 6 1 36.33 387.57 45.30 o
4 6 1 4374.73 3499.43 135.82 o
5 6 1 94.07 90.34 21.63 o
6 6 1 13502.70 12793.29 385.57 o
-13 7 1 846.91 772.97 67.44 o
-12 7 1 6019.51 5507.60 170.39 o
-11 7 1 1501.99 1867.39 74.96 o
-10 7 1 251.09 226.63 35.29 o
-9 7 1 3739.18 3184.63 123.73 o
-8 7 1 13411.34 11430.06 334.84 o
-7 7 1 46.45 48.73 22.16 o
-6 7 1 48.09 510.95 53.14 o
-5 7 1 2071.15 1698.60 69.45 o
-4 7 1 3536.12 3205.31 119.49 o
-3 7 1 3038.77 2848.55 84.36 o
-2 7 1 3321.73 2983.21 94.66 o
-1 7 1 1745.19 1768.07 70.20 o
0 7 1 864.56 870.02 45.50 o
1 7 1 440.83 574.76 37.38 o
2 7 1 2773.64 3284.89 108.74 o
3 7 1 1026.12 770.92 63.32 o
4 7 1 5.17 18.53 20.89 o
5 7 1 1054.61 1046.10 63.10 o
6 7 1 2038.40 1856.40 81.62 o
7 7 1 397.72 576.57 52.80 o
-15 8 1 2694.46 2400.90 130.79 o
-14 8 1 5285.54 5118.71 204.01 o
-13 8 1 868.18 791.78 64.15 o
-12 8 1 4128.89 3349.74 137.41 o
-11 8 1 1540.93 1659.93 110.06 o
-10 8 1 991.56 1185.02 71.61 o
-9 8 1 785.71 725.69 53.82 o
-8 8 1 16284.67 13526.07 409.01 o
-7 8 1 516.12 651.52 52.61 o
-6 8 1 642.60 828.86 55.04 o
-5 8 1 1623.08 1729.39 71.00 o
-4 8 1 574.23 968.05 62.55 o
-3 8 1 45.33 399.16 33.35 o
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-1 8 1 114.88 1063.81 65.04 o
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2 8 1 3.86 38.24 24.86 o
3 8 1 1876.62 1854.45 85.50 o
4 8 1 2741.72 2713.86 126.40 o
5 8 1 260.65 191.04 50.38 o
6 8 1 293.18 233.63 53.29 o
7 8 1 139.27 79.20 36.35 o
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-5 9 1 1119.51 1316.57 78.46 o
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-3 9 1 159.86 113.72 22.96 o
-2 9 1 484.62 827.45 72.35 o
-1 9 1 3560.46 3507.45 113.90 o
0 9 1 304.78 320.45 39.59 o
1 9 1 7.04 37.45 22.23 o
2 9 1 208.06 287.25 34.12 o
3 9 1 40.43 19.20 22.54 o
4 9 1 123.07 119.49 46.38 o
5 9 1 1877.58 1706.06 100.77 o
6 9 1 2663.46 2828.60 169.40 o
7 9 1 3347.90 3036.30 185.93 o
8 9 1 1038.39 1172.12 108.35 o
9 9 1 5.35 80.91 40.84 o
-19 10 1 412.02 422.16 81.21 o
-18 10 1 4287.33 4302.76 240.85 o
-17 10 1 2376.31 2276.94 143.07 o
-16 10 1 423.79 338.73 121.29 o
-15 10 1 102.71 139.52 44.73 o
-14 10 1 56.75 90.37 29.23 o
-13 10 1 321.69 293.17 44.47 o
-12 10 1 1032.79 841.78 79.46 o
-11 10 1 21.34 83.85 27.99 o
-10 10 1 739.91 1324.93 112.27 o
-9 10 1 826.48 676.49 56.22 o
-8 10 1 2133.62 1745.52 98.16 o
-7 10 1 675.38 744.61 55.44 o
-6 10 1 1252.60 1489.87 91.28 o
-5 10 1 201.63 1213.75 67.31 o
-4 10 1 8108.91 7302.76 204.86 o
-3 10 1 2560.76 2027.73 71.91 o
-2 10 1 4472.66 3842.99 146.74 o
-1 10 1 1.58 30.78 24.16 o
0 10 1 11671.97 9742.69 287.56 o
1 10 1 6225.86 5491.33 153.22 o
2 10 1 4581.05 4320.21 143.55 o
3 10 1 2440.41 2608.88 130.43 o
4 10 1 2341.60 2026.46 188.04 o
5 10 1 3403.44 3151.62 180.61 o
6 10 1 1483.78 1246.77 97.68 o
7 10 1 645.08 612.95 123.75 o
8 10 1 918.44 816.43 95.27 o
9 10 1 1019.91 867.25 186.10 o
10 10 1 671.98 371.34 137.65 o
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