#------------------------------------------------------------------------------
#$Date: 2021-06-26 08:53:37 +0300 (Sat, 26 Jun 2021) $
#$Revision: 266716 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/38/2243856.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_2243856
_cell_angle_alpha                75.804
_cell_angle_beta                 89.845
_cell_angle_gamma                89.594
_cell_length_a                   6.8076
_cell_length_b                   9.7078
_cell_length_c                   10.1579
_exptl_crystal_F_000             448.00
_reflns_d_resolution_high        0.7676
_cod_data_source_file            yz2008Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' 12mk2902 in P -1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            191.17
_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 1107.70 1056.83 23.96 o
2 0 0 4223.47 4190.92 54.43 o
3 0 0 1284.66 1176.73 15.10 o
4 0 0 318.99 356.29 7.76 o
5 0 0 1334.48 1285.89 47.25 o
6 0 0 10806.89 10927.83 175.92 o
7 0 0 68.93 62.42 6.88 o
8 0 0 1900.60 1965.25 57.24 o
-8 1 0 184.82 177.39 25.73 o
-7 1 0 1638.86 1601.06 41.71 o
-6 1 0 4440.83 4600.67 172.81 o
-5 1 0 601.64 621.98 10.86 o
-4 1 0 943.74 968.22 30.61 o
-3 1 0 2938.51 2775.48 37.09 o
-2 1 0 599.96 621.49 10.02 o
-1 1 0 810.62 909.10 17.40 o
1 1 0 3031.35 3177.77 57.94 o
2 1 0 557.09 577.16 23.07 o
3 1 0 4472.34 4166.74 55.06 o
4 1 0 243.35 246.43 8.87 o
5 1 0 5212.31 4981.88 73.34 o
6 1 0 9433.97 9389.28 137.52 o
7 1 0 152.92 151.78 17.08 o
8 1 0 776.10 820.36 31.50 o
-8 2 0 951.34 924.06 29.75 o
-7 2 0 585.33 572.63 23.51 o
-6 2 0 114.91 116.97 23.29 o
-5 2 0 154.30 167.68 5.17 o
-4 2 0 2739.31 2819.00 70.54 o
-3 2 0 6532.34 6640.21 112.25 o
-2 2 0 5744.01 5885.97 93.65 o
-1 2 0 6416.83 6740.27 107.12 o
0 2 0 335.28 354.18 6.88 o
1 2 0 513.16 553.05 10.04 o
2 2 0 323.66 357.42 5.96 o
3 2 0 456.87 429.38 7.05 o
4 2 0 4394.75 4360.36 64.06 o
5 2 0 1980.05 1965.51 41.93 o
6 2 0 446.00 437.49 10.83 o
7 2 0 110.56 113.67 27.73 o
8 2 0 84.28 102.05 11.98 o
-8 3 0 4054.79 4352.56 119.38 o
-7 3 0 28.58 18.34 4.67 o
-6 3 0 2774.16 2861.33 51.70 o
-5 3 0 309.77 358.79 8.93 o
-4 3 0 970.05 990.50 44.37 o
-3 3 0 7126.76 7345.38 119.06 o
-2 3 0 27846.51 27767.28 432.12 o
-1 3 0 793.30 808.15 15.05 o
0 3 0 7027.42 6318.59 101.65 o
1 3 0 16169.19 16151.41 225.53 o
2 3 0 8353.83 9069.30 142.43 o
3 3 0 1083.54 1037.35 16.68 o
4 3 0 8332.40 8560.59 115.13 o
5 3 0 360.80 371.41 9.68 o
6 3 0 2545.20 2649.88 55.32 o
7 3 0 2159.94 2323.08 84.74 o
8 3 0 676.37 655.75 27.51 o
-8 4 0 2751.47 2764.85 199.65 o
-7 4 0 732.03 788.35 21.50 o
-6 4 0 11.21 -2.66 6.88 o
-5 4 0 3682.11 3961.44 149.30 o
-4 4 0 188.79 201.89 29.73 o
-3 4 0 4154.36 4069.85 68.00 o
-2 4 0 18061.27 18024.54 285.78 o
-1 4 0 2831.68 2566.32 43.58 o
0 4 0 8615.52 8504.23 121.95 o
1 4 0 14163.97 13741.28 193.01 o
2 4 0 3539.28 3930.03 57.67 o
3 4 0 6340.93 6880.12 120.01 o
4 4 0 10296.32 10740.83 195.75 o
5 4 0 3512.97 3744.95 72.96 o
6 4 0 2420.84 2495.90 90.29 o
7 4 0 3693.26 4000.62 145.08 o
8 4 0 1002.99 1016.90 54.13 o
-8 5 0 41.69 41.71 11.54 o
-7 5 0 406.99 315.39 16.42 o
-6 5 0 2327.51 2286.61 49.90 o
-5 5 0 5980.70 6388.83 123.19 o
-4 5 0 344.07 343.25 30.17 o
-3 5 0 1529.41 1533.25 33.38 o
-2 5 0 2891.11 2614.82 53.80 o
-1 5 0 299.72 226.54 17.30 o
0 5 0 2517.38 2428.20 72.32 o
1 5 0 3685.27 3060.08 92.28 o
2 5 0 329.20 311.83 7.76 o
3 5 0 847.91 953.10 23.74 o
4 5 0 2447.94 2585.05 62.34 o
5 5 0 346.66 397.61 18.63 o
6 5 0 6.32 4.94 4.67 o
7 5 0 1826.42 1965.04 78.97 o
8 5 0 574.52 571.45 33.28 o
-7 6 0 553.93 535.78 66.77 o
-6 6 0 2783.63 3048.87 66.22 o
-5 6 0 1450.32 1313.70 116.46 o
-4 6 0 57.77 69.85 9.10 o
-3 6 0 660.21 638.32 19.90 o
-2 6 0 104.75 149.17 33.94 o
-1 6 0 4980.92 4506.05 142.86 o
0 6 0 11240.92 11250.90 213.48 o
1 6 0 1097.82 1120.71 25.27 o
2 6 0 539.15 567.45 12.82 o
3 6 0 2.48 -0.44 5.77 o
4 6 0 427.95 414.75 10.30 o
5 6 0 2472.07 2704.48 122.45 o
7 6 0 5.68 3.11 11.09 o
-7 7 0 2151.20 2078.18 79.42 o
-6 7 0 711.67 728.58 51.69 o
-5 7 0 339.57 189.43 45.92 o
-4 7 0 2213.08 2296.92 59.92 o
-3 7 0 4305.05 4047.24 99.43 o
-2 7 0 430.63 382.40 35.94 o
-1 7 0 17526.94 17675.84 406.75 o
0 7 0 3161.12 3130.68 77.64 o
1 7 0 129.27 93.81 12.42 o
2 7 0 631.05 645.37 17.79 o
3 7 0 843.06 807.01 17.85 o
4 7 0 5.20 14.19 4.66 o
5 7 0 9915.35 10924.00 258.03 o
6 7 0 1184.67 1339.46 57.68 o
7 7 0 901.94 1018.23 53.68 o
-6 8 0 689.78 723.16 52.58 o
-5 8 0 336.80 354.05 23.96 o
-4 8 0 3931.05 3726.39 98.87 o
-3 8 0 555.36 504.32 20.08 o
-2 8 0 227.80 231.18 13.20 o
-1 8 0 8312.70 8626.07 161.44 o
0 8 0 55.33 65.87 40.82 o
1 8 0 134.97 112.88 9.68 o
2 8 0 1901.16 1843.47 49.54 o
3 8 0 2199.62 2203.43 48.65 o
4 8 0 347.17 368.22 17.08 o
5 8 0 7159.82 7484.77 184.37 o
6 8 0 485.83 500.02 31.94 o
-5 9 0 74.77 82.93 23.74 o
-4 9 0 1616.01 1348.56 45.15 o
-3 9 0 636.86 583.38 85.63 o
-2 9 0 2619.84 2574.48 94.28 o
-1 9 0 636.19 675.51 24.40 o
0 9 0 586.66 626.69 40.60 o
1 9 0 476.24 527.73 21.07 o
2 9 0 2101.89 2303.44 61.80 o
3 9 0 170.83 183.55 17.30 o
4 9 0 462.38 508.41 75.42 o
5 9 0 176.54 231.60 19.52 o
6 9 0 27.91 20.41 13.75 o
-5 10 0 4.76 40.12 40.82 o
-4 10 0 408.67 347.18 19.70 o
-3 10 0 4057.96 3686.14 167.49 o
-2 10 0 410.29 418.51 61.01 o
-1 10 0 888.74 882.92 62.11 o
0 10 0 2.04 -4.21 28.84 o
1 10 0 440.44 461.22 20.02 o
2 10 0 1516.16 1671.58 51.92 o
3 10 0 4023.70 4406.86 120.57 o
4 10 0 189.28 246.08 17.08 o
5 10 0 843.33 909.53 54.13 o
-3 11 0 4492.97 4332.68 152.47 o
-2 11 0 27.93 31.83 17.53 o
-1 11 0 504.93 479.01 24.89 o
0 11 0 756.06 780.66 34.17 o
1 11 0 122.21 141.06 13.62 o
2 11 0 808.37 937.49 57.68 o
3 11 0 4871.89 5371.22 178.81 o
-1 12 0 710.97 607.19 32.97 o
0 12 0 2569.74 3133.24 152.62 o
1 12 0 158.81 141.65 43.70 o
-3 -11 1 1189.88 1179.96 204.98 o
-2 -11 1 1159.72 1214.91 47.80 o
-1 -11 1 3986.84 4168.44 158.17 o
0 -11 1 651.06 592.55 85.41 o
1 -11 1 15.05 17.99 16.64 o
2 -11 1 5.83 31.06 17.75 o
3 -11 1 1375.45 1308.26 57.25 o
-3 -10 1 5.01 6.11 8.62 o
-2 -10 1 1195.17 1183.94 159.94 o
-1 -10 1 180.67 175.51 45.92 o
0 -10 1 763.20 820.91 31.64 o
1 -10 1 190.71 165.17 13.76 o
2 -10 1 75.54 79.37 11.60 o
3 -10 1 407.13 452.91 24.31 o
4 -10 1 833.54 700.51 33.84 o
-5 -9 1 205.10 248.46 21.74 o
-4 -9 1 1041.25 990.73 69.66 o
-3 -9 1 1706.18 1818.99 122.90 o
-2 -9 1 2.32 7.91 8.00 o
-1 -9 1 940.94 1035.44 47.03 o
0 -9 1 0.32 3.65 39.04 o
1 -9 1 74.96 77.22 10.02 o
2 -9 1 259.44 264.64 30.39 o
3 -9 1 889.76 948.85 62.11 o
4 -9 1 92.61 184.24 27.73 o
5 -9 1 618.49 541.61 55.68 o
-6 -8 1 386.00 423.27 27.51 o
-5 -8 1 4.12 -4.69 7.33 o
-4 -8 1 2319.00 2300.57 113.14 o
-3 -8 1 3625.73 3611.65 93.36 o
-2 -8 1 3029.86 2926.00 162.39 o
-1 -8 1 595.90 543.39 77.42 o
0 -8 1 1991.12 2045.84 82.30 o
1 -8 1 17.98 3.99 7.68 o
2 -8 1 1694.42 1678.31 44.64 o
3 -8 1 2182.11 2180.70 77.20 o
4 -8 1 4163.90 3816.32 119.57 o
5 -8 1 1224.21 1017.18 43.92 o
6 -8 1 1316.43 1132.23 63.22 o
-7 -7 1 927.55 980.08 55.02 o
-6 -7 1 1324.83 1451.71 69.21 o
-5 -7 1 141.45 159.61 19.08 o
-4 -7 1 1929.13 1928.65 44.45 o
-3 -7 1 580.45 592.28 20.41 o
-2 -7 1 4678.57 4455.65 205.64 o
-1 -7 1 647.61 695.97 21.64 o
0 -7 1 3802.66 3840.07 92.86 o
1 -7 1 605.29 608.47 19.08 o
2 -7 1 2869.57 2797.15 101.38 o
3 -7 1 1304.91 1186.88 42.59 o
4 -7 1 6606.90 6825.54 163.12 o
5 -7 1 74.64 105.45 23.74 o
6 -7 1 1091.91 982.95 45.03 o
7 -7 1 25.85 22.63 8.87 o
-7 -6 1 2838.11 3239.27 155.29 o
-6 -6 1 1393.70 1591.54 47.64 o
-5 -6 1 20.64 0.83 5.80 o
-4 -6 1 261.65 288.38 9.10 o
-3 -6 1 242.83 281.76 14.20 o
-2 -6 1 170.05 170.80 5.86 o
-1 -6 1 5039.96 4643.47 141.31 o
0 -6 1 1804.35 1675.95 58.57 o
1 -6 1 366.18 366.12 12.87 o
2 -6 1 2.49 17.99 6.81 o
3 -6 1 19.83 16.10 29.28 o
4 -6 1 321.10 332.81 28.40 o
5 -6 1 560.22 552.63 28.17 o
6 -6 1 73.01 71.34 8.84 o
7 -6 1 73.47 57.23 12.87 o
-7 -5 1 954.39 965.44 54.13 o
-6 -5 1 500.54 524.05 19.29 o
-5 -5 1 86.99 87.68 19.52 o
-4 -5 1 1167.41 1219.07 29.05 o
-3 -5 1 8.26 11.74 2.97 o
-2 -5 1 6116.75 6441.54 103.06 o
-1 -5 1 3438.98 3413.08 58.96 o
0 -5 1 538.34 486.87 36.16 o
1 -5 1 61.84 58.02 14.64 o
2 -5 1 4178.50 3825.52 123.34 o
3 -5 1 320.19 315.21 9.81 o
4 -5 1 4802.29 4787.23 144.86 o
5 -5 1 204.01 227.95 42.15 o
6 -5 1 153.84 175.73 22.85 o
7 -5 1 3.61 11.54 8.87 o
-8 -4 1 2015.38 2260.53 107.81 o
-7 -4 1 56.42 39.04 8.43 o
-6 -4 1 343.72 336.05 14.27 o
-5 -4 1 230.95 267.10 23.51 o
-4 -4 1 3369.93 3638.58 86.07 o
-3 -4 1 3246.78 3370.72 94.95 o
-2 -4 1 13170.79 13632.91 214.74 o
-1 -4 1 629.04 613.46 18.19 o
0 -4 1 920.73 793.42 15.06 o
1 -4 1 904.05 862.20 16.76 o
2 -4 1 9419.99 8787.75 142.26 o
3 -4 1 911.48 1043.65 34.16 o
4 -4 1 11974.55 12334.03 281.96 o
5 -4 1 608.49 639.84 14.16 o
6 -4 1 438.87 456.84 28.62 o
7 -4 1 28.01 42.59 9.32 o
8 -4 1 2303.33 2545.81 88.29 o
-8 -3 1 416.83 463.64 26.62 o
-7 -3 1 1348.75 1358.26 40.47 o
-6 -3 1 903.44 860.18 23.51 o
-5 -3 1 539.18 547.94 13.79 o
-4 -3 1 284.35 246.17 6.06 o
-3 -3 1 12153.12 12687.80 164.98 o
-2 -3 1 4446.98 4735.20 87.90 o
-1 -3 1 9056.50 9816.20 155.59 o
0 -3 1 971.40 880.96 16.78 o
1 -3 1 1630.15 1415.40 29.95 o
2 -3 1 3235.17 3193.76 60.79 o
3 -3 1 4622.83 4885.51 80.58 o
4 -3 1 3818.29 4077.94 65.89 o
5 -3 1 2267.97 2391.24 41.52 o
6 -3 1 12.99 19.60 8.43 o
7 -3 1 1.64 -6.66 7.10 o
8 -3 1 1149.60 1170.19 89.62 o
-8 -2 1 37.72 61.23 8.43 o
-7 -2 1 947.92 970.71 29.63 o
-6 -2 1 589.91 571.11 14.98 o
-5 -2 1 990.86 936.97 21.08 o
-4 -2 1 3340.57 3335.42 76.09 o
-3 -2 1 7902.34 8063.36 104.44 o
-2 -2 1 111.09 133.64 3.91 o
-1 -2 1 4294.58 4719.64 75.45 o
0 -2 1 824.67 876.51 14.86 o
1 -2 1 3794.18 3274.05 61.72 o
2 -2 1 2523.50 2598.08 43.13 o
3 -2 1 1452.02 1558.58 21.80 o
4 -2 1 796.14 883.23 17.12 o
5 -2 1 1365.67 1365.75 50.58 o
6 -2 1 45.36 38.60 3.94 o
7 -2 1 76.90 76.62 6.88 o
8 -2 1 88.31 95.77 13.98 o
-8 -1 1 25.20 2.22 6.66 o
-7 -1 1 151.65 149.42 7.63 o
-6 -1 1 189.29 175.54 9.32 o
-5 -1 1 3112.69 2864.85 96.50 o
-4 -1 1 5291.35 5050.59 66.80 o
-3 -1 1 91.77 87.25 2.34 o
-2 -1 1 951.73 984.40 14.64 o
-1 -1 1 994.29 989.35 16.78 o
0 -1 1 165.06 187.71 9.54 o
1 -1 1 10020.29 8956.01 140.02 o
2 -1 1 17080.68 17591.54 222.43 o
3 -1 1 2295.98 2377.77 35.38 o
4 -1 1 3108.88 3146.56 46.48 o
5 -1 1 99.98 89.60 6.43 o
6 -1 1 104.47 96.10 3.94 o
7 -1 1 514.49 498.32 20.19 o
8 -1 1 1741.18 1814.36 52.12 o
-8 0 1 487.83 472.07 20.85 o
-7 0 1 1836.25 1888.59 55.02 o
-6 0 1 4.09 6.60 2.45 o
-5 0 1 8710.60 8268.73 119.53 o
-4 0 1 1793.15 1733.41 22.61 o
-3 0 1 10636.65 10019.98 165.05 o
-2 0 1 1839.77 1697.52 20.91 o
-1 0 1 8990.48 8318.04 104.77 o
1 0 1 7964.55 8131.58 227.38 o
2 0 1 8769.43 8650.67 102.27 o
3 0 1 13462.28 12822.07 151.12 o
4 0 1 97.01 99.64 2.62 o
5 0 1 2998.81 2921.11 59.90 o
6 0 1 596.09 592.33 34.61 o
7 0 1 998.61 983.89 55.68 o
8 0 1 1020.13 1027.73 32.51 o
-8 1 1 2535.29 2448.19 69.73 o
-7 1 1 1920.09 1972.95 38.55 o
-6 1 1 35.29 33.29 6.43 o
-5 1 1 3861.38 3864.42 74.98 o
-4 1 1 11.02 19.17 3.11 o
-3 1 1 5699.32 5341.56 85.02 o
-2 1 1 20555.33 19233.17 265.71 o
-1 1 1 9509.05 9186.21 142.11 o
1 1 1 4389.55 4404.17 49.35 o
2 1 1 149.33 172.38 7.10 o
3 1 1 5678.38 5295.50 63.61 o
4 1 1 2371.44 2355.31 29.88 o
5 1 1 2737.41 2720.18 35.27 o
6 1 1 510.19 510.21 10.20 o
7 1 1 190.12 185.52 7.14 o
8 1 1 4.54 14.04 9.10 o
-8 2 1 2284.75 2407.36 70.75 o
-7 2 1 596.98 582.52 14.20 o
-6 2 1 152.78 148.16 5.77 o
-5 2 1 52.55 59.02 12.42 o
-4 2 1 498.37 492.71 9.06 o
-3 2 1 159.91 145.20 3.73 o
-2 2 1 13125.45 13193.33 204.86 o
-1 2 1 10020.07 10224.74 160.59 o
0 2 1 2.17 7.37 1.70 o
1 2 1 351.70 367.25 5.80 o
2 2 1 2267.86 2501.16 29.10 o
3 2 1 771.29 759.60 11.29 o
4 2 1 4571.75 4536.50 65.51 o
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6 2 1 30.49 27.37 2.95 o
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8 2 1 592.10 575.45 31.06 o
-8 3 1 282.49 256.57 12.55 o
-7 3 1 428.72 410.11 15.97 o
-6 3 1 136.33 149.24 6.57 o
-5 3 1 1177.10 1173.59 24.18 o
-4 3 1 2439.31 2442.25 52.58 o
-3 3 1 9314.96 9315.26 148.54 o
-2 3 1 20.55 5.05 2.45 o
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0 3 1 1325.26 1300.58 27.06 o
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3 3 1 8826.79 9428.99 113.64 o
4 3 1 48.75 62.34 2.82 o
5 3 1 134.16 142.22 11.98 o
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8 3 1 168.90 148.63 10.20 o
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-6 4 1 165.46 180.13 9.76 o
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-5 5 1 259.59 278.69 19.52 o
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-1 5 1 2424.30 2429.96 42.75 o
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2 5 1 11088.05 10936.74 157.51 o
3 5 1 139.29 162.06 20.19 o
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5 5 1 4.29 14.20 4.44 o
6 5 1 109.64 155.73 12.42 o
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-7 6 1 979.48 998.98 69.88 o
-6 6 1 354.52 358.13 14.38 o
-5 6 1 2653.67 2902.95 104.26 o
-4 6 1 1078.09 1070.63 29.95 o
-3 6 1 125.75 134.93 20.41 o
-2 6 1 5.88 35.43 9.32 o
-1 6 1 13.30 38.95 5.95 o
0 6 1 3001.93 2975.96 70.54 o
1 6 1 3765.82 3678.03 61.26 o
2 6 1 1010.23 972.35 39.93 o
3 6 1 495.36 495.98 36.60 o
4 6 1 692.50 687.65 42.37 o
5 6 1 10.63 20.13 14.42 o
6 6 1 244.96 267.09 17.30 o
7 6 1 1658.71 1768.93 90.95 o
-7 7 1 23.68 14.20 6.27 o
-6 7 1 3017.43 3056.72 68.94 o
-5 7 1 1520.56 1640.63 47.75 o
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-3 7 1 1.87 11.03 7.13 o
-2 7 1 2820.61 2634.56 143.09 o
-1 7 1 3.07 22.02 14.64 o
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1 6 12 345.51 314.12 18.63 o
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0 2 13 266.11 325.21 20.85 o
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