#------------------------------------------------------------------------------
#$Date: 2021-12-22 05:13:15 +0200 (Wed, 22 Dec 2021) $
#$Revision: 271579 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/39/2243960.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_2243960
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   5.4438
_cell_length_b                   5.4438
_cell_length_c                   3.1190
_exptl_crystal_F_000             207.00
_reflns_d_resolution_high        0.5513
_cod_data_source_file            wm5627IIIsup7.hkl
_cod_data_source_block           III
_shelx_title                     ' prrhb132_a.res in P6/mmm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            147.11
_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'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z'
'-x+y, y, -z'
'x, x-y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z'
'-y, x-y, -z'
'-x+y, -x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z'
'x-y, -y, z'
'-x, -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
0 1 0 159.05 165.26 1.75 o
-1 2 0 430.35 466.26 6.64 o
0 2 0 21642.73 22576.11 99.73 o
-1 3 0 134.80 141.24 1.40 o
0 3 0 273.63 300.04 5.13 o
-2 4 0 13390.61 13643.95 51.78 o
-1 4 0 88.95 88.65 2.15 o
0 4 0 10036.50 10432.75 51.63 o
-2 5 0 74.61 79.27 4.64 o
-1 5 0 134.52 130.81 3.10 o
0 5 0 57.79 57.45 3.13 o
-3 6 0 88.15 81.75 5.28 o
-2 6 0 6301.67 6199.68 34.64 o
-1 6 0 28.37 32.23 2.12 o
0 6 0 5376.15 5460.38 31.13 o
-3 7 0 26.32 25.70 1.93 o
-2 7 0 65.21 72.00 3.27 o
-1 7 0 14.72 14.40 1.70 o
0 7 0 17.83 45.98 25.86 o
-4 8 0 3892.32 3804.54 32.59 o
-3 8 0 6.81 5.98 1.32 o
-2 8 0 3241.92 3182.63 30.48 o
-1 8 0 16.25 13.99 1.79 o
0 8 0 2444.61 2418.45 38.29 o
-4 9 0 8.43 6.57 1.27 o
-3 9 0 17.39 19.03 3.28 o
-2 9 0 8.05 10.05 1.46 o
0 0 1 2519.14 2468.60 19.51 o
0 1 1 6697.34 6750.00 11.51 o
-1 2 1 6712.52 6825.95 20.13 o
0 2 1 2281.70 2300.69 10.09 o
-1 3 1 4247.40 4254.13 11.87 o
0 3 1 4349.90 4347.15 12.63 o
-2 4 1 1060.26 1073.65 28.60 o
-1 4 1 3085.42 3038.75 7.53 o
0 4 1 1160.70 1204.64 10.33 o
-2 5 1 2301.79 2332.21 9.34 o
-1 5 1 2531.46 2510.05 10.14 o
0 5 1 1808.03 1799.51 11.27 o
-3 6 1 2089.86 2151.23 13.31 o
-2 6 1 825.38 854.68 8.73 o
-1 6 1 1559.13 1551.48 16.01 o
0 6 1 556.30 569.76 7.62 o
-3 7 1 1242.08 1241.25 10.38 o
-2 7 1 1342.10 1341.36 14.49 o
-1 7 1 1073.73 1082.34 9.13 o
0 7 1 846.34 825.12 14.26 o
-4 8 1 464.37 474.70 7.60 o
-3 8 1 949.87 946.70 9.58 o
-2 8 1 540.60 554.17 8.30 o
-1 8 1 888.22 872.97 11.96 o
0 8 1 443.95 469.09 11.28 o
-4 9 1 631.26 637.63 8.47 o
-3 9 1 723.85 735.51 8.89 o
-2 9 1 528.68 524.85 7.54 o
0 0 2 14730.78 13812.23 81.75 o
0 1 2 167.41 167.95 2.22 o
-1 2 2 280.56 280.65 1.64 o
0 2 2 10683.27 10508.63 25.03 o
-1 3 2 119.76 123.28 3.10 o
0 3 2 214.04 214.67 2.44 o
-2 4 2 8123.68 8131.90 33.60 o
-1 4 2 81.28 83.09 1.44 o
0 4 2 6408.62 6217.11 19.32 o
-2 5 2 67.08 64.88 1.20 o
-1 5 2 114.14 115.10 1.92 o
0 5 2 52.08 48.63 2.01 o
-3 6 2 76.66 80.62 2.08 o
-2 6 2 4397.41 4408.19 12.73 o
-1 6 2 27.62 31.32 1.48 o
0 6 2 3862.23 3792.68 39.14 o
-3 7 2 25.48 25.49 1.18 o
-2 7 2 57.10 58.36 1.56 o
-1 7 2 15.50 17.33 1.19 o
0 7 2 18.16 24.77 6.47 o
-4 8 2 2860.63 2855.27 18.69 o
-3 8 2 8.20 8.94 0.86 o
-2 8 2 2395.24 2309.67 13.40 o
-1 8 2 16.94 16.36 1.26 o
-4 9 2 9.74 10.39 1.38 o
-3 9 2 17.89 17.82 1.93 o
0 0 3 411.20 395.22 11.24 o
0 1 3 2157.27 2063.45 15.09 o
-1 2 3 2342.58 2248.87 15.03 o
0 2 3 521.26 485.72 4.13 o
-1 3 3 1718.04 1681.68 7.96 o
0 3 3 1864.20 1841.52 7.99 o
-2 4 3 317.87 301.55 4.00 o
-1 4 3 1418.55 1385.15 5.20 o
0 4 3 412.74 410.76 4.26 o
-2 5 3 1146.55 1140.57 6.54 o
-1 5 3 1288.01 1266.55 8.02 o
0 5 3 949.08 909.62 7.44 o
-3 6 3 1108.75 1080.17 10.19 o
-2 6 3 346.30 338.88 3.04 o
-1 6 3 846.71 824.36 5.60 o
0 6 3 237.02 241.21 5.51 o
-3 7 3 694.79 728.81 12.09 o
-2 7 3 754.53 741.47 6.06 o
-1 7 3 612.96 606.31 10.19 o
0 7 3 493.88 509.79 15.80 o
-4 8 3 203.02 205.68 6.77 o
-3 8 3 550.74 551.31 6.48 o
-2 8 3 242.36 243.65 5.18 o
0 0 4 3912.32 3846.92 43.95 o
0 1 4 96.18 97.69 3.20 o
-1 2 4 144.82 147.18 4.25 o
0 2 4 3175.30 3019.36 23.83 o
-1 3 4 73.59 76.05 1.82 o
0 3 4 116.65 120.28 2.96 o
-2 4 4 2815.27 2815.17 16.47 o
-1 4 4 54.33 56.01 1.66 o
0 4 4 2318.99 2286.80 16.25 o
-2 5 4 46.48 46.21 1.87 o
-1 5 4 70.25 69.86 2.31 o
0 5 4 38.62 35.69 3.17 o
-3 6 4 51.98 51.27 3.61 o
-2 6 4 1738.75 1751.22 14.82 o
-1 6 4 25.21 25.95 2.00 o
0 6 4 1578.62 1545.73 27.41 o
0 0 5 45.56 47.67 4.99 o
0 1 5 615.91 627.43 8.83 o
-1 2 5 684.67 708.79 7.72 o
0 2 5 74.86 84.95 2.69 o
-1 3 5 527.49 539.93 5.14 o
0 3 5 580.26 603.98 7.08 o
-2 4 5 44.12 52.34 2.36 o
-1 4 5 459.43 475.45 5.33 o
0 4 5 66.58 73.16 5.79 o