data_2020015
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.9761(5)
_cell_length_b                   3.9761(5)
_cell_length_c                   21.841(3)
_exptl_crystal_F_000             360
_reflns_d_resolution_high        0.7282
_cod_data_source_file            fa3364IXsup10.hkl
_cod_data_source_block           IX
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            292.42
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'x+1/3, x-y+2/3, z+2/3'
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 2 0 63013.60 54385.30 1043.84 o
0 3 0 32052.10 31296.30 919.75 o
-2 4 0 25201.20 25585.50 582.32 o
-1 5 0 13808.10 14617.70 886.59 o
-1 1 1 17006.00 16332.30 380.62 o
0 2 1 12886.60 12619.40 303.06 o
-2 3 1 10034.70 9786.21 163.35 o
-4 4 1 5484.69 5709.63 299.15 o
-1 4 1 6576.40 6663.04 223.53 o
-3 5 1 4640.66 4823.10 473.65 o
0 1 2 23700.70 23381.80 395.36 o
-2 2 2 16391.50 16213.70 427.93 o
-1 3 2 11719.60 11512.20 187.04 o
-3 4 2 7024.61 7097.74 227.42 o
0 4 2 5725.26 5704.65 310.85 o
-2 5 2 4764.20 4864.80 470.59 o
-1 2 3 19643.30 18801.90 239.09 o
-3 3 3 11715.70 11167.50 405.09 o
0 3 3 11715.70 11646.20 369.57 o
-2 4 3 9506.32 9778.12 211.72 o
-1 5 3 5587.10 5964.89 497.88 o
-1 1 4 81433.60 85509.00 1311.18 o
0 2 4 49680.60 48155.10 808.41 o
-2 3 4 35676.10 34016.80 492.99 o
-4 4 4 17797.90 18549.10 650.04 o
-1 4 4 21879.50 22009.10 528.09 o
-3 5 4 14671.10 13323.90 1010.49 o
0 1 5 9979.36 10479.80 213.94 o
-2 2 5 8248.61 8412.81 170.80 o
-1 3 5 6569.49 6428.97 108.24 o
-3 4 5 4394.43 4349.00 167.06 o
0 4 5 3701.75 3758.87 251.72 o
0 0 6 28262.70 29511.70 1383.30 o
-1 2 6 19049.30 19411.00 261.38 o
-3 3 6 10235.80 10048.10 264.42 o
0 3 6 10235.80 10544.10 353.30 o
-2 4 6 8082.37 8577.87 217.97 o
-1 1 7 28777.80 29799.60 546.29 o
0 2 7 20670.80 20818.70 383.84 o
-2 3 7 16038.60 15887.70 242.41 o
-4 4 7 8792.26 9205.26 404.36 o
-1 4 7 10566.70 10691.30 300.73 o
-3 5 7 7397.72 7592.21 686.99 o
0 1 8 57726.30 64431.20 1254.31 o
-2 2 8 38447.10 38967.30 594.52 o
-1 3 8 28532.30 27747.50 377.30 o
-3 4 8 17938.70 17186.90 415.64 o
0 4 8 14684.30 15483.20 643.31 o
0 0 9 6145.71 6202.96 425.45 o
-1 2 9 5432.02 5768.96 119.00 o
-3 3 9 3601.42 3567.46 159.49 o
0 3 9 3601.42 3604.73 156.42 o
-2 4 9 3005.69 2920.29 103.47 o
-1 1 10 24816.30 26005.40 561.55 o
0 2 10 17402.00 18012.90 344.82 o
-2 3 10 13081.50 12725.70 234.98 o
-4 4 10 6883.16 6989.57 337.12 o
-1 4 10 8333.03 8464.49 261.34 o
-3 5 10 5765.94 5525.59 550.43 o
0 1 11 27003.00 27935.90 538.57 o
-2 2 11 20378.70 20278.30 414.23 o
-1 3 11 16160.40 15854.70 299.82 o
-3 4 11 10861.00 10934.90 305.62 o
0 4 11 9080.76 9767.72 465.44 o
0 0 12 41351.90 44911.50 2096.15 o
-1 2 12 28867.50 29339.70 369.11 o
-3 3 12 17245.30 16414.00 478.23 o
0 3 12 17245.30 17130.50 520.80 o
-2 4 12 13963.70 13674.70 308.66 o
-1 1 13 4034.15 4196.32 161.30 o
0 2 13 3318.44 3442.84 136.49 o
-2 3 13 2733.16 2688.17 86.22 o
-4 4 13 1724.62 1634.47 150.64 o
-1 4 13 1973.47 2001.64 110.46 o
0 1 14 23615.30 25380.90 492.28 o
-2 2 14 17567.20 17895.10 391.06 o
-1 3 14 13732.30 14113.20 303.52 o
-3 4 14 9088.06 8991.15 254.95 o
0 4 14 7568.89 7558.22 493.22 o
0 0 15 23989.00 25330.80 687.61 o
-1 2 15 18668.90 18297.00 305.00 o
-3 3 15 12331.70 12180.10 401.46 o
0 3 15 12331.70 11996.20 413.79 o
-2 4 15 10252.60 10600.60 267.95 o
-1 1 16 21139.50 20294.10 582.62 o
0 2 16 16173.20 16304.20 422.62 o
-2 3 16 12856.00 13026.90 289.20 o
-4 4 16 7242.37 6919.11 583.96 o
-1 4 16 8655.40 9163.96 298.21 o
0 1 17 3076.03 3173.21 154.44 o
-2 2 17 2540.25 2602.90 176.91 o
-1 3 17 2140.56 2098.93 107.32 o
-3 4 17 1613.20 1416.12 137.27 o
0 0 18 23707.10 23149.40 1272.66 o
-1 2 18 18354.90 18461.20 378.50 o
-3 3 18 11995.00 12224.20 480.11 o
0 3 18 11995.00 12100.30 422.86 o
-2 4 18 9931.81 10038.70 543.58 o
-1 1 19 15751.90 15153.30 554.79 o
0 2 19 12817.40 13093.80 430.03 o
-2 3 19 10595.50 10297.60 312.73 o
-1 4 19 7478.89 7907.99 395.95 o
0 1 20 11884.20 12129.20 341.91 o
-2 2 20 9487.58 8861.81 349.74 o
-1 3 20 7756.56 7740.35 262.80 o
0 0 21 2958.23 2979.24 349.39 o
-1 2 21 2481.51 2219.22 129.62 o
-3 3 21 1848.17 1924.73 318.51 o
0 3 21 1848.17 1918.53 177.95 o
-1 1 22 18922.10 18412.50 650.94 o
0 2 22 15350.50 14681.30 512.24 o
-2 3 22 12636.50 12296.20 658.91 o
0 1 23 9982.46 10051.70 439.64 o
-2 2 23 8311.08 8312.70 356.83 o
-1 3 23 6995.25 7086.29 284.11 o
0 0 24 7237.94 7352.92 619.94 o
-1 2 24 5936.84 5942.80 233.63 o
-1 1 25 2851.70 2706.36 205.10 o
0 2 25 2454.50 2545.40 263.18 o
0 1 26 15314.40 14900.80 579.82 o
-2 2 26 12672.10 12550.00 833.47 o
0 0 27 5942.07 5940.04 556.40 o
-1 2 27 5042.78 5331.80 367.80 o
-1 1 28 4147.31 4124.62 442.36 o