#------------------------------------------------------------------------------
#$Date: 2025-05-09 05:01:56 +0300 (Fri, 09 May 2025) $
#$Revision: 299593 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/28/2312833.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_2312833
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.8791
_cell_length_b                   11.2982
_cell_length_c                   3.2771
_exptl_crystal_F_000             240.00
_reflns_d_resolution_high        0.7767
_cod_data_source_file            zo3064Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' Structure 1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            94.42
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'-x-1/2, y-1/2, z'
'x-1/2, -y-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
2 0 0 1072.49 890.59 26.95 o
4 0 0 2149.89 2233.42 62.33 o
6 0 0 295.55 287.70 10.90 o
1 1 0 2142.01 2037.20 57.14 o
2 1 0 3556.82 3566.84 97.46 o
3 1 0 662.93 532.35 17.50 o
4 1 0 418.23 439.44 14.98 o
5 1 0 173.62 171.19 7.70 o
6 1 0 31.95 32.18 3.79 o
7 1 0 35.91 39.68 4.03 o
0 2 0 1187.63 1424.95 41.05 o
1 2 0 1476.52 1203.43 35.26 o
2 2 0 12.71 18.29 1.83 o
3 2 0 474.74 437.23 14.98 o
4 2 0 1019.94 1263.78 36.86 o
5 2 0 98.48 95.42 5.58 o
6 2 0 0.21 0.01 2.73 o
7 2 0 30.64 28.94 3.40 o
1 3 0 3.17 2.27 2.85 o
2 3 0 4919.65 4584.46 124.20 o
3 3 0 303.47 337.99 12.23 o
4 3 0 355.41 357.83 12.84 o
5 3 0 47.29 46.41 4.13 o
6 3 0 76.45 81.53 5.24 o
7 3 0 8.94 6.96 2.97 o
0 4 0 2686.81 2513.95 51.05 o
1 4 0 2131.83 2042.09 57.33 o
2 4 0 607.24 743.01 23.03 o
3 4 0 355.19 327.42 12.03 o
4 4 0 477.01 466.28 15.68 o
5 4 0 472.90 472.10 15.89 o
6 4 0 42.57 45.33 4.13 o
7 4 0 14.70 11.98 2.39 o
1 5 0 1473.40 1419.08 40.85 o
2 5 0 96.87 118.24 7.60 o
3 5 0 1821.96 2017.45 56.64 o
4 5 0 75.92 81.07 5.24 o
5 5 0 91.01 93.39 5.58 o
6 5 0 2.73 2.61 2.85 o
7 5 0 35.30 36.67 3.75 o
0 6 0 985.61 845.85 25.74 o
1 6 0 24.61 25.84 3.57 o
2 6 0 71.27 102.16 5.78 o
3 6 0 149.57 161.35 7.49 o
4 6 0 240.54 215.45 8.95 o
5 6 0 6.50 8.00 2.97 o
6 6 0 7.58 7.06 2.97 o
1 7 0 1573.18 1876.51 52.94 o
2 7 0 918.49 981.73 29.35 o
3 7 0 1001.12 1030.52 30.65 o
4 7 0 8.17 8.71 2.73 o
5 7 0 1.92 1.31 2.73 o
6 7 0 61.69 58.23 4.39 o
0 8 0 6.24 1.42 2.73 o
1 8 0 1903.11 2016.04 56.64 o
2 8 0 8.44 8.09 2.86 o
3 8 0 145.19 138.26 6.86 o
4 8 0 0.18 0.21 2.73 o
5 8 0 231.99 228.58 9.36 o
6 8 0 11.73 9.13 2.97 o
1 9 0 82.24 83.46 5.24 o
2 9 0 341.01 351.12 12.64 o
3 9 0 7.75 7.15 2.97 o
4 9 0 3.56 2.36 2.85 o
5 9 0 33.12 28.91 3.54 o
0 10 0 116.76 117.57 6.22 o
1 10 0 164.77 152.88 7.28 o
2 10 0 0.19 0.16 2.28 o
3 10 0 11.95 15.42 2.71 o
4 10 0 27.56 27.89 3.04 o
5 10 0 12.51 15.48 3.21 o
1 11 0 32.73 31.19 3.68 o
2 11 0 64.27 62.46 4.69 o
3 11 0 181.33 181.78 8.01 o
4 11 0 17.59 15.71 2.34 o
0 12 0 149.93 150.87 7.18 o
1 12 0 184.78 179.64 8.01 o
2 12 0 10.60 9.81 2.10 o
3 12 0 0.93 1.22 2.73 o
4 12 0 51.80 52.29 4.36 o
1 13 0 0.25 0.31 2.73 o
2 13 0 31.44 34.96 3.24 o
3 13 0 20.76 12.79 2.29 o
0 14 0 18.93 17.08 3.33 o
1 14 0 17.61 17.29 3.33 o
2 14 0 0.08 0.14 2.73 o
0 0 1 5316.92 4600.44 92.67 o
2 0 1 801.24 1028.00 30.55 o
4 0 1 1472.42 1434.03 41.25 o
6 0 1 149.47 151.40 7.18 o
1 1 1 1070.01 1018.63 30.35 o
2 1 1 3223.22 3426.90 93.77 o
3 1 1 725.23 747.82 23.14 o
4 1 1 364.80 379.35 13.35 o
5 1 1 99.86 101.22 5.78 o
6 1 1 25.54 26.11 2.87 o
7 1 1 41.60 41.40 3.87 o
0 2 1 542.29 574.32 13.56 o
1 2 1 530.89 463.67 15.68 o
2 2 1 3.93 6.60 2.52 o
3 2 1 888.29 924.48 27.85 o
4 2 1 19.65 26.30 2.26 o
5 2 1 177.80 182.31 8.01 o
6 2 1 5.37 4.11 2.85 o
7 2 1 24.91 21.36 2.93 o
1 3 1 154.43 167.27 9.88 o
2 3 1 4866.59 5135.15 138.68 o
3 3 1 167.44 186.62 8.12 o
4 3 1 201.49 201.91 8.53 o
5 3 1 66.57 64.49 4.69 o
6 3 1 157.11 157.49 7.38 o
7 3 1 8.88 5.55 2.97 o
0 4 1 7048.56 7731.10 229.76 o
1 4 1 3743.71 4006.22 109.03 o
2 4 1 140.72 123.85 6.43 o
3 4 1 174.24 180.62 8.01 o
4 4 1 523.86 538.39 17.60 o
5 4 1 260.26 259.67 10.19 o
6 4 1 119.10 109.56 6.00 o
7 4 1 1.43 1.17 2.68 o
1 5 1 1135.50 1148.53 33.75 o
2 5 1 22.39 28.24 2.91 o
3 5 1 434.55 371.98 13.15 o
4 5 1 79.70 85.56 5.35 o
5 5 1 8.06 6.64 2.97 o
6 5 1 45.56 43.87 4.13 o
0 6 1 1314.81 1268.55 36.96 o
1 6 1 2.60 4.74 2.85 o
2 6 1 29.96 33.44 3.79 o
3 6 1 0.98 3.00 2.85 o
4 6 1 440.16 472.56 15.89 o
5 6 1 7.61 7.54 2.97 o
6 6 1 1.05 0.17 2.73 o
1 7 1 248.29 186.91 8.22 o
2 7 1 201.06 171.05 7.70 o
3 7 1 753.65 758.23 23.43 o
4 7 1 4.93 4.82 2.61 o
5 7 1 1.52 0.93 2.73 o
6 7 1 8.63 12.16 3.08 o
0 8 1 0.95 2.46 2.85 o
1 8 1 1100.10 1107.88 32.65 o
2 8 1 33.42 33.64 3.64 o
3 8 1 68.17 70.31 4.92 o
4 8 1 20.38 20.39 3.33 o
5 8 1 175.62 179.98 8.01 o
6 8 1 4.60 3.16 2.85 o
1 9 1 86.97 88.31 5.35 o
2 9 1 94.51 89.82 5.47 o
3 9 1 293.76 304.39 11.41 o
4 9 1 0.19 0.10 2.73 o
5 9 1 20.13 14.16 3.21 o
0 10 1 14.64 12.07 3.08 o
1 10 1 72.60 76.23 5.03 o
2 10 1 27.36 26.76 3.04 o
3 10 1 22.90 23.61 2.93 o
4 10 1 44.56 49.02 4.25 o
5 10 1 25.90 23.91 3.45 o
1 11 1 370.32 374.79 13.25 o
2 11 1 12.48 14.05 2.21 o
3 11 1 182.17 185.40 8.12 o
4 11 1 7.92 7.77 2.50 o
0 12 1 176.54 188.89 8.22 o
1 12 1 34.23 38.27 3.91 o
2 12 1 2.16 3.27 2.85 o
3 12 1 3.77 3.58 2.85 o
1 13 1 2.01 2.04 2.85 o
2 13 1 27.75 29.39 3.36 o
0 14 1 3.04 3.04 2.85 o
1 14 1 8.58 10.74 2.22 o
0 0 2 8915.38 8580.19 274.25 o
2 0 2 261.00 240.14 9.67 o
4 0 2 627.06 641.12 20.32 o
6 0 2 109.60 97.41 5.69 o
1 1 2 410.80 396.73 13.86 o
2 1 2 908.67 915.26 27.64 o
3 1 2 141.04 125.27 6.43 o
4 1 2 128.06 129.43 6.54 o
5 1 2 54.97 54.19 4.55 o
6 1 2 9.49 10.51 2.23 o
0 2 2 234.72 250.05 9.88 o
1 2 2 247.12 215.74 8.95 o
2 2 2 3.95 8.29 1.71 o
3 2 2 117.89 112.14 6.12 o
4 2 2 380.06 421.40 14.47 o
5 2 2 23.46 25.72 3.04 o
6 2 2 0.47 0.07 2.73 o
1 3 2 2.81 0.70 2.73 o
2 3 2 1217.52 1175.37 34.46 o
3 3 2 100.15 103.47 5.78 o
4 3 2 107.57 106.86 5.89 o
5 3 2 14.52 14.51 2.37 o
6 3 2 20.89 25.33 3.29 o
0 4 2 713.20 583.37 18.81 o
1 4 2 567.93 556.79 18.10 o
2 4 2 183.65 203.20 8.64 o
3 4 2 92.46 89.87 5.47 o
4 4 2 131.96 133.33 6.65 o
5 4 2 151.06 152.43 7.18 o
6 4 2 11.49 14.34 2.46 o
1 5 2 365.17 360.28 12.84 o
2 5 2 46.45 57.32 4.47 o
3 5 2 565.80 602.84 19.31 o
4 5 2 26.20 25.87 3.04 o
5 5 2 35.79 32.65 3.79 o
6 5 2 0.34 0.64 2.73 o
0 6 2 213.76 198.88 8.53 o
1 6 2 9.57 9.32 3.08 o
2 6 2 32.12 36.46 3.91 o
3 6 2 53.64 55.04 4.47 o
4 6 2 54.70 58.41 4.59 o
5 6 2 2.50 3.21 2.85 o
1 7 2 514.76 568.51 18.41 o
2 7 2 284.07 296.82 11.21 o
3 7 2 311.05 315.01 11.62 o
4 7 2 2.22 2.64 2.85 o
5 7 2 1.03 0.56 2.73 o
0 8 2 0.53 0.31 2.73 o
1 8 2 577.88 605.20 19.41 o
2 8 2 3.81 3.54 2.85 o
3 8 2 45.87 43.33 4.13 o
4 8 2 0.32 0.19 2.73 o
5 8 2 79.10 77.80 5.14 o
1 9 2 24.55 25.05 3.57 o
2 9 2 108.69 111.49 6.12 o
3 9 2 0.17 0.55 2.73 o
4 9 2 1.80 0.93 2.73 o
0 10 2 35.31 37.77 3.91 o
1 10 2 51.91 48.88 4.25 o
2 10 2 0.14 0.12 2.73 o
3 10 2 3.46 4.86 2.85 o
4 10 2 8.76 8.94 2.68 o
1 11 2 3.94 6.77 2.97 o
2 11 2 25.10 22.29 2.93 o
3 11 2 60.07 60.74 4.59 o
0 12 2 47.73 48.73 4.25 o
1 12 2 69.45 64.01 4.69 o
2 12 2 4.28 2.82 2.85 o
0 0 3 336.29 298.14 11.21 o
2 0 3 84.62 86.07 5.35 o
4 0 3 126.83 132.91 6.65 o
1 1 3 63.45 64.34 4.69 o
2 1 3 271.80 276.76 10.60 o
3 1 3 59.05 61.88 4.59 o
4 1 3 39.58 38.71 3.75 o
5 1 3 11.17 10.87 2.15 o
0 2 3 24.08 23.23 3.45 o
1 2 3 23.01 23.46 3.45 o
2 2 3 2.88 3.07 2.85 o
3 2 3 85.88 87.58 5.35 o
4 2 3 21.33 15.88 2.34 o
5 2 3 18.15 20.71 3.45 o
1 3 3 22.83 24.72 3.57 o
2 3 3 413.61 425.54 14.57 o
3 3 3 20.51 18.71 2.82 o
4 3 3 19.06 19.43 2.57 o
5 3 3 9.82 7.88 2.97 o
0 4 3 691.03 726.52 22.64 o
1 4 3 327.32 339.05 12.33 o
2 4 3 8.49 9.27 1.92 o
3 4 3 15.55 15.41 2.40 o
4 4 3 59.01 57.23 4.47 o
1 5 3 91.02 93.48 5.58 o
2 5 3 3.27 3.51 2.85 o
3 5 3 20.28 25.42 3.04 o
4 5 3 11.31 10.04 3.08 o
0 6 3 104.57 107.01 5.89 o
1 6 3 1.10 0.51 2.73 o
2 6 3 5.63 5.04 2.85 o
3 6 3 1.18 1.24 2.73 o
4 6 3 59.61 55.11 4.47 o
1 7 3 8.73 10.56 3.08 o
2 7 3 9.09 11.32 2.12 o
3 7 3 81.42 79.52 5.14 o
0 8 3 0.31 0.14 2.73 o
1 8 3 105.54 105.29 5.89 o
2 8 3 5.98 5.11 2.75 o
3 8 3 5.62 7.07 2.97 o
1 9 3 9.79 9.82 3.08 o
2 9 3 4.67 7.47 2.50 o
0 10 3 0.36 0.57 2.81 o
1 10 3 7.31 7.98 2.97 o
0 0 4 397.48 373.14 13.25 o
2 0 4 5.53 7.43 1.50 o
1 1 4 9.92 11.22 3.08 o
2 1 4 26.95 27.67 2.52 o
0 2 4 8.09 7.53 2.97 o
1 2 4 4.13 5.66 2.97 o
2 2 4 1.17 0.36 2.73 o
1 3 4 0.07 0.09 2.73 o
0 4 4 6.50 10.47 3.08 o
1 4 4 13.08 13.86 3.21 o