#------------------------------------------------------------------------------
#$Date: 2024-01-31 05:24:13 +0200 (Wed, 31 Jan 2024) $
#$Revision: 289235 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/23/2312392.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_2312392
_cell_angle_alpha                90.000
_cell_angle_beta                 90.254
_cell_angle_gamma                90.000
_cell_length_a                   8.9681
_cell_length_b                   7.9033
_cell_length_c                   12.4980
_exptl_crystal_F_000             1192.00
_reflns_d_resolution_high        0.6990
_cod_data_source_file            pk2694Isup2.hkl
_cod_data_source_block           I
_shelx_title
' mo_pwRK_MLInPbCl_rt_22Mar2022__a.res in P2(1)/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            730.80
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
1 0 0 22799.50 23099.52 497.34 o
2 0 0 10353.49 10305.51 222.58 o
3 0 0 4672.36 4612.72 100.66 o
4 0 0 534072.00 652974.50 39016.92 o
5 0 0 24835.98 23901.68 440.29 o
6 0 0 326.03 311.12 40.72 o
7 0 0 3205.31 3233.66 167.35 o
8 0 0 93828.77 96678.95 2522.23 o
9 0 0 9545.54 9669.81 353.80 o
10 0 0 590.03 576.48 154.70 o
11 0 0 2363.22 2770.61 352.67 o
12 0 0 12217.06 13334.17 581.27 o
1 1 0 11358.12 11447.71 163.77 o
2 1 0 57.21 75.47 10.57 o
3 1 0 36894.46 37221.55 471.02 o
4 1 0 328.19 380.64 22.05 o
5 1 0 657.95 753.10 34.40 o
6 1 0 155.89 167.54 24.87 o
7 1 0 17119.80 17091.55 282.80 o
8 1 0 231.78 206.24 41.53 o
9 1 0 515.16 578.08 74.86 o
10 1 0 77.80 186.89 77.08 o
11 1 0 2579.54 2684.62 160.79 o
12 1 0 64.51 -74.78 74.78 o
1 2 0 20569.76 20314.26 288.34 o
2 2 0 26656.09 26874.69 351.74 o
3 2 0 21407.51 21684.30 302.93 o
4 2 0 184933.44 188171.12 2982.97 o
5 2 0 10257.98 9997.91 157.01 o
6 2 0 11692.78 11525.46 183.08 o
7 2 0 12896.82 12906.86 230.23 o
8 2 0 65174.12 65406.81 1078.16 o
9 2 0 3133.38 3244.54 129.63 o
10 2 0 2593.43 2486.87 145.70 o
11 2 0 4982.79 5403.98 212.28 o
12 2 0 15311.78 14808.68 448.02 o
1 3 0 53948.95 53479.11 663.43 o
2 3 0 136.82 139.90 16.05 o
3 3 0 54076.18 53726.36 750.73 o
4 3 0 1156.97 1170.64 42.44 o
5 3 0 22646.79 22547.64 293.65 o
6 3 0 197.33 219.63 18.46 o
7 3 0 24783.57 24588.22 358.95 o
8 3 0 1561.54 1517.25 75.28 o
9 3 0 6988.86 6782.36 240.78 o
10 3 0 10.84 28.75 51.24 o
11 3 0 7394.68 7703.41 257.85 o
12 3 0 899.07 763.78 137.37 o
0 4 0 43226.66 42669.03 736.99 o
1 4 0 24094.03 23424.62 337.06 o
2 4 0 53906.23 53397.04 781.66 o
3 4 0 20417.37 20770.54 342.58 o
4 4 0 31399.73 30750.95 469.52 o
5 4 0 15032.81 15054.21 270.24 o
6 4 0 28925.19 27911.40 402.77 o
7 4 0 9634.83 9567.81 178.06 o
8 4 0 12695.11 12697.95 268.29 o
9 4 0 5472.38 5564.97 156.20 o
10 4 0 9422.12 9341.15 334.53 o
11 4 0 2818.60 2666.98 212.12 o
1 5 0 48743.93 47857.42 674.24 o
2 5 0 927.11 878.77 39.69 o
3 5 0 31606.44 31265.42 501.92 o
4 5 0 308.79 338.19 39.37 o
5 5 0 27318.47 26571.91 476.11 o
6 5 0 2154.99 2131.82 94.85 o
7 5 0 10979.35 10680.14 246.41 o
8 5 0 509.04 560.61 72.38 o
9 5 0 6439.99 6251.99 277.65 o
10 5 0 357.33 545.93 126.39 o
11 5 0 3779.18 4372.65 327.09 o
0 6 0 10134.48 10233.54 291.49 o
1 6 0 28695.15 28394.52 417.58 o
2 6 0 62018.87 61781.18 959.99 o
3 6 0 14050.04 14090.05 240.39 o
4 6 0 3098.71 3216.94 103.82 o
5 6 0 21531.99 21968.79 433.27 o
6 6 0 28228.88 28307.11 550.78 o
7 6 0 2753.96 2717.79 155.66 o
8 6 0 58.99 192.19 101.10 o
9 6 0 7562.32 7843.89 323.24 o
10 6 0 8095.09 7984.87 347.21 o
1 7 0 3212.83 3115.37 81.47 o
2 7 0 159.30 226.98 33.33 o
3 7 0 8870.38 8735.54 169.95 o
4 7 0 9.87 21.48 35.15 o
5 7 0 177.36 197.74 49.13 o
6 7 0 652.45 686.95 98.57 o
7 7 0 5050.96 5440.25 249.15 o
8 7 0 23.62 -33.62 85.76 o
9 7 0 47.31 -100.89 111.68 o
10 7 0 378.05 272.12 146.43 o
0 8 0 9745.40 9718.00 274.17 o
1 8 0 14457.48 14455.13 318.14 o
2 8 0 31518.77 31894.60 598.57 o
3 8 0 13317.72 12892.19 237.52 o
4 8 0 4790.34 4705.29 198.31 o
5 8 0 6970.19 7324.86 233.94 o
6 8 0 21199.25 21946.99 598.43 o
7 8 0 4901.05 5200.03 259.02 o
8 8 0 581.62 407.49 112.53 o
9 8 0 2084.78 2067.84 195.96 o
1 9 0 2633.19 2676.59 151.51 o
2 9 0 1.67 8.66 45.30 o
3 9 0 3105.77 3298.73 131.86 o
4 9 0 15.35 47.40 58.46 o
5 9 0 1504.35 1661.87 140.49 o
6 9 0 3.19 -4.89 97.21 o
7 9 0 1929.01 1879.40 209.83 o
0 10 0 1100.38 1004.33 188.04 o
1 10 0 4157.78 4512.22 196.81 o
2 10 0 6591.57 7111.43 257.49 o
3 10 0 4124.21 4612.87 184.48 o
4 10 0 506.11 552.17 92.90 o
5 10 0 2658.83 2702.50 169.48 o
1 11 0 1583.49 1461.74 125.79 o
2 11 0 109.52 -4.16 59.52 o
-12 1 1 25.29 41.93 73.07 o
-11 1 1 39.29 40.09 63.46 o
-10 1 1 42952.84 45181.38 1452.75 o
-9 1 1 4639.86 4770.78 146.03 o
-8 1 1 120.08 115.18 33.44 o
-7 1 1 448.88 614.65 44.15 o
-6 1 1 116816.40 115709.65 1494.70 o
-5 1 1 5348.27 5408.51 98.80 o
-4 1 1 111.01 187.96 21.47 o
-3 1 1 826.80 991.67 30.08 o
-2 1 1 181114.89 144201.53 6890.87 o
-1 1 1 4870.28 4994.03 69.38 o
0 1 1 3754.24 3790.13 73.60 o
1 1 1 3199.62 3189.47 56.40 o
2 1 1 121763.12 128681.92 2314.25 o
3 1 1 2547.42 2550.34 51.69 o
4 1 1 11189.97 11067.31 168.47 o
5 1 1 10106.30 9901.69 154.23 o
6 1 1 46903.89 47183.65 691.75 o
7 1 1 325.93 372.57 41.61 o
8 1 1 9974.39 10095.90 220.81 o
9 1 1 4732.34 5237.07 213.90 o
10 1 1 14563.58 15224.65 416.79 o
11 1 1 33.74 72.73 80.71 o
12 1 1 4965.46 4836.09 223.32 o
-12 2 1 367.93 218.85 80.14 o
-11 2 1 2436.38 2408.61 142.52 o
-10 2 1 671.35 911.26 102.06 o
-9 2 1 3218.41 3395.00 163.21 o
-8 2 1 1417.97 1554.41 71.27 o
-7 2 1 12100.08 11791.51 187.64 o
-6 2 1 635.00 701.26 36.70 o
-5 2 1 3352.51 3459.24 74.19 o
-4 2 1 5531.41 5832.35 98.81 o
-3 2 1 32147.37 32756.35 416.43 o
-2 2 1 30205.74 31524.41 428.04 o
-1 2 1 10665.04 10517.99 157.04 o
0 2 1 7461.42 7547.68 110.97 o
1 2 1 36720.79 36794.85 462.57 o
2 2 1 55662.00 57365.35 767.78 o
3 2 1 35600.80 35806.02 469.58 o
4 2 1 1585.75 1734.40 48.96 o
5 2 1 21954.99 21740.72 321.14 o
6 2 1 14561.09 14436.29 234.32 o
7 2 1 25098.88 24672.88 412.12 o
8 2 1 3.60 61.98 40.86 o
9 2 1 10186.03 9661.89 271.03 o
10 2 1 1371.05 1487.27 115.86 o
11 2 1 7453.23 7890.17 297.89 o
12 2 1 67.70 67.13 83.48 o
-12 3 1 27.10 63.60 51.91 o
-11 3 1 283.39 150.09 104.07 o
-10 3 1 8487.94 8266.00 269.70 o
-9 3 1 8656.50 8733.05 203.98 o
-8 3 1 1832.16 1882.84 96.67 o
-7 3 1 1328.05 1246.58 45.19 o
-6 3 1 30536.37 30337.78 408.58 o
-5 3 1 18289.14 18475.93 255.84 o
-4 3 1 22452.49 22139.18 293.18 o
-3 3 1 3532.21 3612.19 68.83 o
-2 3 1 67310.01 66715.34 796.84 o
-1 3 1 9243.17 9384.50 152.75 o
0 3 1 40797.22 41742.56 613.17 o
1 3 1 3649.11 3735.07 63.22 o
2 3 1 47226.59 47444.63 613.82 o
3 3 1 112.00 151.96 16.17 o
4 3 1 3785.86 3898.34 83.64 o
5 3 1 1493.14 1511.44 45.43 o
6 3 1 8513.80 8361.13 157.82 o
7 3 1 454.59 493.35 40.39 o
8 3 1 1430.03 1303.72 73.37 o
9 3 1 552.97 621.87 69.63 o
10 3 1 540.49 678.49 74.66 o
11 3 1 48.01 -54.27 54.27 o
12 3 1 1936.12 2169.76 266.45 o
-11 4 1 5284.73 5268.92 252.17 o
-10 4 1 0.47 47.07 39.07 o
-9 4 1 25593.43 25040.51 664.09 o
-8 4 1 8603.12 8220.34 162.80 o
-7 4 1 11878.50 11532.02 200.62 o
-6 4 1 8.22 31.19 19.61 o
-5 4 1 51968.75 52209.34 785.91 o
-4 4 1 23686.64 23823.08 356.07 o
-3 4 1 30851.28 30859.42 468.20 o
-2 4 1 359.80 496.19 20.06 o
-1 4 1 35180.78 35461.22 523.41 o
0 4 1 33408.36 33828.43 554.44 o
1 4 1 54046.04 54135.39 757.48 o
2 4 1 5704.49 5923.12 107.88 o
3 4 1 8197.73 8403.68 141.16 o
4 4 1 16551.27 16840.37 291.03 o
5 4 1 36409.44 35925.52 528.01 o
6 4 1 11073.51 11108.51 217.30 o
7 4 1 4276.06 4289.30 99.48 o
8 4 1 3307.83 3400.06 103.95 o
9 4 1 10826.54 10356.50 307.22 o
10 4 1 6519.86 6528.29 253.51 o
11 4 1 4352.55 4151.57 219.59 o
-11 5 1 2127.65 1914.06 162.87 o
-10 5 1 305.37 348.76 115.44 o
-9 5 1 983.80 1311.51 148.36 o
-8 5 1 16300.97 17197.60 676.99 o
-7 5 1 5578.92 5473.24 187.38 o
-6 5 1 79.44 51.13 35.21 o
-5 5 1 2010.98 2051.62 86.80 o
-4 5 1 23055.30 23124.30 388.79 o
-3 5 1 10611.65 10689.70 185.51 o
-2 5 1 457.77 550.66 26.21 o
-1 5 1 3202.86 3274.51 69.54 o
0 5 1 19218.10 19329.45 311.40 o
1 5 1 10507.09 10362.65 159.81 o
2 5 1 1009.06 1151.04 48.97 o
3 5 1 2185.31 2168.97 74.17 o
4 5 1 11407.97 11239.53 226.81 o
5 5 1 3524.99 3539.65 86.21 o
6 5 1 211.51 224.04 31.80 o
7 5 1 412.99 529.36 66.39 o
8 5 1 4728.35 4455.22 166.18 o
9 5 1 186.26 112.72 73.90 o
10 5 1 50.96 124.42 54.50 o
11 5 1 11.40 0.00 75.53 o
-10 6 1 74.25 -74.79 74.79 o
-9 6 1 5126.61 4895.60 266.89 o
-8 6 1 4873.97 4525.33 245.03 o
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-6 6 1 2128.66 2303.84 108.14 o
-5 6 1 6936.81 6805.81 162.16 o
-4 6 1 12692.25 12842.18 240.13 o
-3 6 1 5346.09 5214.97 110.98 o
-2 6 1 11657.86 11578.28 196.86 o
-1 6 1 7148.51 7075.48 131.72 o
0 6 1 14196.84 14525.91 248.09 o
1 6 1 8008.82 7600.76 146.73 o
2 6 1 18841.70 18628.57 338.62 o
3 6 1 7964.95 7917.25 160.79 o
4 6 1 6025.84 5877.11 147.12 o
5 6 1 5915.58 5799.70 160.38 o
6 6 1 10880.50 10751.68 270.45 o
7 6 1 7093.89 7743.13 302.23 o
8 6 1 1303.33 1345.82 148.86 o
9 6 1 2642.38 3226.39 226.22 o
10 6 1 3163.96 3086.46 258.25 o
-10 7 1 456.23 574.19 109.69 o
-9 7 1 971.30 932.33 110.25 o
-8 7 1 9891.95 10381.55 373.50 o
-7 7 1 5472.31 5792.48 252.78 o
-6 7 1 2291.12 2261.17 137.17 o
-5 7 1 3193.65 3236.19 105.22 o
-4 7 1 15956.65 15880.89 290.98 o
-3 7 1 4211.68 4338.30 118.28 o
-2 7 1 6775.02 6589.35 139.72 o
-1 7 1 5530.22 5559.45 124.49 o
0 7 1 22229.49 21571.37 450.90 o
1 7 1 1030.97 1040.13 53.15 o
2 7 1 8831.80 8842.14 202.00 o
3 7 1 4232.07 4103.94 113.82 o
4 7 1 22266.51 21791.21 408.72 o
5 7 1 21.50 28.43 43.59 o
6 7 1 6017.43 6340.42 195.14 o
7 7 1 1366.84 1492.00 145.41 o
8 7 1 12512.14 12306.13 419.72 o
9 7 1 69.05 -18.98 123.90 o
10 7 1 2894.70 2577.85 224.79 o
-9 8 1 27.83 57.01 116.74 o
-8 8 1 1576.84 1694.84 193.64 o
-7 8 1 751.31 723.33 118.88 o
-6 8 1 1522.68 1608.14 123.15 o
-5 8 1 357.71 476.28 75.46 o
-4 8 1 4624.44 4450.93 147.19 o
-3 8 1 2827.06 2890.98 122.65 o
-2 8 1 8439.52 8308.65 193.12 o
-1 8 1 101.12 64.28 36.23 o
0 8 1 6252.37 6139.46 138.54 o
1 8 1 4999.32 4902.77 135.53 o
2 8 1 14104.29 13863.36 296.44 o
3 8 1 619.85 568.81 53.45 o
4 8 1 3494.56 3706.70 136.49 o
5 8 1 2892.18 2786.58 132.45 o
6 8 1 7404.33 7501.76 285.04 o
7 8 1 1008.48 1291.78 141.44 o
8 8 1 941.21 901.83 138.48 o
9 8 1 505.04 613.40 146.09 o
-7 9 1 4509.81 4305.94 249.00 o
-6 9 1 1864.52 1808.11 154.58 o
-5 9 1 2698.09 2905.82 159.43 o
-4 9 1 11247.04 12235.15 335.55 o
-3 9 1 6404.75 6603.39 204.63 o
-2 9 1 1401.28 1432.83 89.72 o
-1 9 1 2276.62 2285.58 98.75 o
0 9 1 14106.55 13972.60 356.85 o
1 9 1 2039.75 2020.36 96.93 o
2 9 1 1419.89 1320.63 84.72 o
3 9 1 460.64 439.79 73.27 o
4 9 1 7755.24 7760.57 223.45 o
5 9 1 30.62 105.10 64.75 o
6 9 1 2240.13 2563.46 182.12 o
7 9 1 32.79 6.47 65.17 o
-5 10 1 16.62 129.84 75.31 o
-4 10 1 1929.18 1833.35 132.45 o
-3 10 1 10249.32 10464.12 303.22 o
-2 10 1 947.65 1063.93 93.69 o
-1 10 1 420.09 394.04 52.83 o
0 10 1 2222.08 2087.95 146.99 o
1 10 1 10328.75 10275.67 293.68 o
2 10 1 809.55 794.63 90.64 o
3 10 1 1653.75 1702.50 155.11 o
4 10 1 1904.21 2217.82 140.64 o
5 10 1 6444.83 6821.32 277.55 o
-2 11 1 14.65 69.22 56.16 o
-1 11 1 276.25 199.54 86.53 o
0 11 1 76.37 54.26 74.62 o
1 11 1 1063.57 902.95 214.18 o
2 11 1 15.18 -34.76 64.48 o
-12 0 2 2712.23 2970.86 303.21 o
-11 0 2 113.63 84.41 176.74 o
-10 0 2 17005.63 16459.30 595.54 o
-9 0 2 3412.08 3819.44 180.72 o
-8 0 2 7532.78 7666.60 231.65 o
-7 0 2 695.47 785.15 65.45 o
-6 0 2 62508.82 62260.70 1166.76 o
-5 0 2 5959.19 5946.93 162.79 o
-4 0 2 11833.55 12009.48 233.93 o
-3 0 2 570.55 699.65 36.80 o
-2 0 2 167726.05 163505.38 7754.58 o
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0 0 2 2634.91 2805.19 59.18 o
1 0 2 6885.35 6328.25 161.26 o
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3 0 2 21457.90 21541.41 467.45 o
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5 0 2 16759.18 16774.11 603.58 o
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7 0 2 6000.47 5827.12 330.79 o
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10 0 2 45584.21 48956.03 3449.52 o
11 0 2 368.08 34.79 118.96 o
12 0 2 87.19 169.92 168.67 o
-12 1 2 125.76 207.92 78.64 o
-11 1 2 620.67 498.67 100.85 o
-10 1 2 2533.38 2468.48 140.04 o
-9 1 2 401.96 442.31 74.31 o
-8 1 2 741.41 871.85 70.90 o
-7 1 2 2450.97 2499.31 84.29 o
-6 1 2 935.64 1063.49 49.48 o
-5 1 2 1936.98 2066.24 53.83 o
-4 1 2 766.98 914.79 35.92 o
-3 1 2 5770.63 5928.80 91.16 o
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0 1 2 140.81 190.65 15.39 o
1 1 2 6919.48 6746.75 207.13 o
2 1 2 2837.74 2926.77 54.12 o
3 1 2 23637.63 23898.77 342.53 o
4 1 2 934.50 984.57 46.10 o
5 1 2 4595.64 4383.42 99.41 o
6 1 2 154.83 198.27 36.23 o
7 1 2 8274.79 8580.24 181.45 o
8 1 2 1640.90 1652.34 99.06 o
9 1 2 2542.09 2576.39 140.81 o
10 1 2 578.88 628.84 98.32 o
11 1 2 1356.85 1332.15 131.12 o
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-9 3 2 11858.66 11825.55 241.02 o
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-3 3 2 36336.64 36984.76 530.11 o
-2 3 2 22111.96 22396.31 297.89 o
-1 3 2 110004.23 109334.59 1971.95 o
0 3 2 13923.62 14243.29 207.28 o
1 3 2 52890.96 53778.89 756.42 o
2 3 2 19579.80 20097.29 315.20 o
3 3 2 70359.15 70217.10 1025.66 o
4 3 2 3262.17 3515.36 81.15 o
5 3 2 35837.68 35776.13 620.55 o
6 3 2 4443.69 4537.64 97.62 o
7 3 2 18821.79 18513.26 310.10 o
8 3 2 315.88 268.19 45.31 o
9 3 2 14274.07 13681.62 293.72 o
10 3 2 279.19 229.63 63.83 o
11 3 2 3804.16 3954.48 214.16 o
12 3 2 114.88 -27.86 123.67 o
-11 4 2 586.33 113.65 70.38 o
-10 4 2 93.32 40.83 32.98 o
-9 4 2 354.18 315.24 43.32 o
-8 4 2 2403.24 2392.62 69.81 o
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-6 4 2 4149.88 4165.76 99.17 o
-5 4 2 2471.34 2629.80 73.54 o
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1 4 2 11511.25 11508.24 181.49 o
2 4 2 31715.23 31124.67 492.32 o
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