#------------------------------------------------------------------------------
#$Date: 2022-01-07 01:02:06 +0200 (Fri, 07 Jan 2022) $
#$Revision: 271893 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/39/2243970.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_2243970
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.7068
_cell_length_b                   6.7068
_cell_length_c                   5.8623
_exptl_crystal_F_000             827.00
_reflns_d_resolution_high        0.7057
_cod_data_source_file            wm5626Isup4.hkl
_cod_data_source_block           I
_shelx_title                     ' exp_248_a.res in I4/mcm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            496.72
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'-x, y, -z+1/2'
'x, -y, -z+1/2'
'y, x, -z+1/2'
'-y, -x, -z+1/2'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1'
'x+1/2, -y+1/2, -z+1'
'y+1/2, x+1/2, -z+1'
'-y+1/2, -x+1/2, -z+1'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x, -y, z-1/2'
'-x, y, z-1/2'
'-y, -x, z-1/2'
'y, x, z-1/2'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'-y+1/2, -x+1/2, z'
'y+1/2, x+1/2, 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 1 0 301.86 337.03 60.57 o
0 2 0 17017.07 16580.65 369.40 o
2 2 0 60480.34 58005.17 1465.96 o
1 3 0 135969.05 130005.66 2004.81 o
3 3 0 110794.98 106684.45 4929.25 o
0 4 0 18363.97 17538.17 828.97 o
2 4 0 40541.30 40418.50 928.32 o
4 4 0 34762.37 33756.32 1816.41 o
1 5 0 182.71 328.75 112.75 o
3 5 0 56125.60 54343.86 2102.70 o
5 5 0 167.49 110.10 288.67 o
0 6 0 173942.20 188553.58 6195.36 o
2 6 0 7875.84 7813.16 304.13 o
4 6 0 8879.07 8570.40 524.03 o
6 6 0 85556.59 92402.80 4632.53 o
1 7 0 686.60 905.43 213.80 o
3 7 0 44620.88 43935.23 1398.25 o
5 7 0 128.16 245.35 505.47 o
0 8 0 3444.78 3991.60 724.76 o
2 8 0 11691.98 10780.56 1083.53 o
4 8 0 8576.12 8327.51 1150.68 o
1 9 0 25292.18 25292.13 1317.95 o
1 2 1 158580.95 158684.05 1685.82 o
2 3 1 184.23 187.11 53.12 o
1 4 1 97918.62 100464.66 1507.88 o
3 4 1 48.12 64.30 68.28 o
2 5 1 81966.23 81718.63 1446.95 o
4 5 1 57024.03 58991.40 1353.55 o
1 6 1 260.09 360.67 105.15 o
3 6 1 48.30 60.50 106.08 o
5 6 1 335.75 481.29 172.62 o
2 7 1 41939.86 43800.83 1536.08 o
4 7 1 32735.77 33848.27 1030.38 o
6 7 1 24.08 156.82 207.19 o
1 8 1 39015.93 40205.04 1214.83 o
3 8 1 86.78 1079.74 608.40 o
5 8 1 28971.99 30727.28 3013.33 o
2 9 1 369.83 559.73 595.98 o
0 0 2 162169.05 159204.34 5245.82 o
1 1 2 68690.19 68243.84 1076.63 o
0 2 2 129881.73 136603.30 2527.79 o
2 2 2 228.29 315.32 58.46 o
1 3 2 15029.93 15427.90 283.55 o
3 3 2 238716.59 222599.14 7126.54 o
0 4 2 97854.54 96921.92 2667.67 o
2 4 2 275.88 362.81 115.02 o
4 4 2 875.11 881.74 204.43 o
1 5 2 26316.71 26399.94 825.12 o
3 5 2 6268.48 6459.39 280.34 o
5 5 2 15488.64 16658.25 807.27 o
0 6 2 63142.16 59186.88 3553.44 o
2 6 2 46439.48 47240.62 1003.80 o
4 6 2 41816.64 43418.88 1084.73 o
6 6 2 33341.55 36192.62 1538.25 o
1 7 2 19892.46 18539.22 1085.57 o
3 7 2 8327.67 8421.72 387.75 o
5 7 2 9721.32 9868.20 417.79 o
2 8 2 116.99 -23.36 237.94 o
4 8 2 95.95 -154.67 210.84 o
1 9 2 4189.67 3352.29 397.53 o
1 2 3 105887.07 111147.30 1632.93 o
2 3 3 131.77 184.11 113.86 o
1 4 3 71479.26 69890.99 1603.04 o
3 4 3 36.23 105.46 149.90 o
2 5 3 62477.47 61284.34 1851.56 o
4 5 3 44721.05 42683.16 1257.89 o
1 6 3 202.30 305.67 193.64 o
3 6 3 38.16 191.93 142.26 o
5 6 3 270.94 297.18 171.71 o
2 7 3 33529.94 33119.12 1075.16 o
4 7 3 26519.66 25324.54 719.41 o
3 8 3 70.77 129.29 314.31 o
0 0 4 246727.47 252390.45 6796.95 o
1 1 4 269.58 234.82 134.73 o
0 2 4 8948.16 8670.92 437.26 o
2 2 4 28834.60 29460.80 1348.47 o
1 3 4 68026.66 68978.41 1383.03 o
3 3 4 61616.63 59519.95 2915.72 o
0 4 4 10261.22 10325.30 528.89 o
2 4 4 22682.63 22256.64 869.47 o
1 5 4 144.44 182.51 163.38 o
3 5 4 34456.63 33651.55 1364.74 o
5 5 4 122.74 123.08 256.66 o
0 6 4 107135.95 101007.59 3900.17 o
2 6 4 4740.62 5222.62 763.61 o
4 6 4 5514.93 5117.69 345.68 o
1 7 4 412.97 544.00 342.04 o
3 7 4 29629.64 27715.16 1937.99 o
0 8 4 2156.17 1910.60 605.74 o
1 2 5 57952.36 57858.85 1235.96 o
2 3 5 76.22 7.84 196.64 o
1 4 5 42272.64 42052.64 1048.27 o
3 4 5 22.22 231.00 238.37 o
2 5 5 38889.55 38067.31 1561.69 o
4 5 5 28820.05 29403.91 1920.19 o
1 6 5 129.05 72.56 280.85 o
3 6 5 24.81 -223.61 278.08 o
2 7 5 22133.73 21006.58 1220.58 o
0 0 6 46346.44 49540.44 2845.12 o
1 1 6 19277.95 20086.25 821.05 o
0 2 6 38578.20 37047.32 1375.36 o
2 2 6 138.84 -240.42 353.15 o
1 3 6 5009.94 4442.18 390.81 o
3 3 6 87092.61 87899.49 3344.82 o
0 4 6 35164.67 32279.32 1276.71 o
2 4 6 139.37 210.76 242.60 o
4 4 6 318.20 341.64 436.36 o
3 5 6 2334.99 2744.99 377.23 o
0 6 6 25073.42 25259.18 1466.33 o
2 6 6 20200.29 19367.50 1206.93 o
1 2 7 28671.46 30365.57 906.95 o
2 3 7 39.07 5.22 338.59 o
1 4 7 21983.74 21312.39 870.05 o
3 4 7 11.84 34.60 401.09 o
0 0 8 58587.45 65656.71 3634.10 o
1 1 8 112.87 261.01 377.76 o
0 2 8 1963.44 2338.72 703.42 o