#------------------------------------------------------------------------------
#$Date: 2022-07-23 05:06:01 +0100 (Sat, 23 Jul 2022) $
#$Revision: 276893 $
#$URL: svn://www.crystallography.net/cod/hkl/2/24/41/2244123.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_2244123
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   9.2550
_cell_length_b                   9.2550
_cell_length_c                   11.4441
_exptl_crystal_F_000             868.00
_reflns_d_resolution_high        0.7108
_cod_data_source_file            pk2667Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' HR2036_0m_b.res in P6(3)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            433.65
_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+1/2'
'y, -x+y, z+1/2'
'x-y, x, 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
0 0 -16 30865.47 30996.75 572.62 o
0 1 -16 2876.87 2929.87 63.47 o
0 1 -15 5461.60 5651.57 61.32 o
-1 2 -15 285.55 301.15 18.99 o
0 2 -15 3893.68 4141.82 58.71 o
-2 3 -15 3928.78 4072.11 59.27 o
-1 3 -15 6581.69 6647.69 68.96 o
0 3 -15 41.42 54.44 14.03 o
-3 4 -15 4739.64 4805.29 68.67 o
-2 4 -15 64.50 68.95 15.46 o
-1 4 -15 8836.80 8831.08 86.39 o
0 4 -15 4931.83 5086.87 69.27 o
0 0 -14 8587.73 8797.07 156.16 o
0 1 -14 84.12 109.19 11.78 o
-1 2 -14 9430.07 9581.12 71.87 o
0 2 -14 11842.52 11819.62 83.35 o
-2 3 -14 138.21 159.32 13.92 o
-1 3 -14 1216.13 1322.87 30.83 o
0 3 -14 10396.28 10440.61 84.02 o
-3 4 -14 497.79 541.62 24.94 o
-2 4 -14 3751.53 3927.65 55.16 o
-1 4 -14 2156.26 2310.18 43.66 o
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-1 5 -14 9609.03 9635.64 93.50 o
0 5 -14 1289.66 1293.64 40.29 o
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0 1 -12 5147.49 5235.70 38.47 o
-1 2 -12 24.10 43.45 6.98 o
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-2 3 -12 6149.09 6237.08 49.32 o
-1 3 -12 1780.56 1796.72 30.49 o
0 3 -12 145.43 153.27 11.04 o
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-2 4 -12 33110.45 33353.94 172.48 o
-1 4 -12 2190.02 2243.96 37.63 o
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-4 7 -11 2393.60 2423.87 48.37 o
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-1 7 -11 2799.67 2822.53 50.91 o
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-1 8 -11 1272.89 1290.65 38.30 o
0 8 -11 3540.86 3564.98 65.52 o
-7 9 -11 3052.37 3061.07 61.65 o
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0 0 -10 10959.18 10822.94 124.19 o
0 1 -10 1020.64 1087.73 15.41 o
-1 2 -10 12004.26 12168.45 59.71 o
0 2 -10 21276.02 21029.94 90.80 o
-2 3 -10 188.91 214.73 8.69 o
-1 3 -10 1903.40 1916.53 22.25 o
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-3 4 -10 873.06 894.44 19.79 o
-2 4 -10 13465.30 13336.89 76.23 o
-1 4 -10 3172.46 3191.06 31.66 o
0 4 -10 13275.04 13215.79 78.39 o
-4 5 -10 7610.27 7615.85 59.67 o
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-2 5 -10 715.19 733.89 20.60 o
-1 5 -10 9665.56 9618.46 72.56 o
0 5 -10 2064.33 2032.46 34.40 o
-5 6 -10 6171.64 6166.71 59.75 o
-4 6 -10 17059.88 16994.17 111.86 o
-3 6 -10 10217.42 10130.28 80.42 o
-2 6 -10 15308.58 15182.83 103.20 o
-1 6 -10 468.13 481.14 20.01 o
0 6 -10 6396.05 6369.03 61.69 o
-6 7 -10 2328.56 2274.36 45.15 o
-5 7 -10 6951.89 6854.10 68.41 o
-4 7 -10 1632.77 1647.69 37.20 o
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