#------------------------------------------------------------------------------
#$Date: 2024-10-16 04:52:00 +0300 (Wed, 16 Oct 2024) $
#$Revision: 295501 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/26/2312665.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_2312665
_cell_angle_alpha                90
_cell_angle_beta                 126.49(4)
_cell_angle_gamma                90
_cell_length_a                   34.434(6)
_cell_length_b                   3.41097(10)
_cell_length_c                   28.253(9)
_exptl_crystal_F_000             1616
_reflns_d_resolution_high        0.8189
_cod_data_source_file            dk5131Isup2.hkl
_cod_data_source_block           I
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            347.32
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_ssg_id
'x1, x2, x3, x4'
'-x1, x2, -x3+1/2, -x4'
'-x1, -x2, -x3, -x4'
'x1, -x2, x3+1/2, x4'
'x1+1/2, x2+1/2, x3, x4'
'-x1+1/2, x2+1/2, -x3+1/2, -x4'
'-x1+1/2, -x2+1/2, -x3, -x4'
'x1+1/2, -x2+1/2, x3+1/2, x4'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_index_m_1
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
2 0 0 0 0.20 328.91 7.65 o
2 0 0 1 50.59 45.89 3.82 o
2 0 0 2 12.61 3.82 3.82 <
4 0 0 -2 85.12 7.65 3.82 <
4 0 0 -1 119.70 99.44 3.82 o
4 0 0 0 5564.98 4753.85 57.37 o
4 0 0 1 101.63 95.61 3.82 o
4 0 0 2 5.73 0.00 3.82 <
6 0 0 -2 12.79 19.12 3.82 o
6 0 0 -1 0.27 19.12 3.82 o
6 0 0 0 1058.98 1690.43 22.95 o
6 0 0 1 74.65 80.31 7.65 o
6 0 0 2 0.30 -3.82 7.65 <
8 0 0 -2 80.78 11.47 7.65 <
8 0 0 -1 0.28 3.82 7.65 <
8 0 0 0 4561.26 4654.41 61.19 o
8 0 0 1 112.83 84.14 11.47 o
8 0 0 2 22.90 11.47 11.47 <
10 0 0 -2 4.07 19.12 7.65 <
10 0 0 -1 146.39 141.51 11.47 o
10 0 0 0 4660.12 6784.65 87.96 o
10 0 0 1 0.01 3.82 11.47 <
10 0 0 2 96.83 57.37 15.30 o
12 0 0 -2 7.12 30.60 11.47 <
12 0 0 -1 659.81 741.95 19.12 o
12 0 0 0 17430.50 22935.50 466.59 o
12 0 0 1 662.22 749.60 26.77 o
12 0 0 2 148.32 -99.44 42.07 <
14 0 0 -2 84.43 214.17 22.95 o
14 0 0 -1 138.53 99.44 26.77 o
14 0 0 0 6088.35 7170.93 122.38 o
14 0 0 1 4.75 -22.95 30.60 <
14 0 0 2 3.21 107.09 34.42 o
16 0 0 -2 0.26 -15.30 30.60 <
16 0 0 -1 118.27 237.12 34.42 o
16 0 0 0 32193.00 40214.60 684.59 o
16 0 0 1 1503.82 1751.62 42.07 o
16 0 0 2 204.52 76.49 30.60 <
18 0 0 -2 207.78 784.02 61.19 o
18 0 0 -1 105.85 221.82 30.60 o
18 0 0 0 472.67 1009.67 38.24 o
18 0 0 1 393.38 420.69 38.24 o
18 0 0 2 26.47 172.10 42.07 o
20 0 0 -2 99.12 198.87 34.42 o
20 0 0 -1 307.51 313.61 38.24 o
20 0 0 0 5262.78 4317.86 80.31 o
20 0 0 1 1798.91 1319.45 49.72 o
20 0 0 2 222.98 3.82 45.89 <
22 0 0 -2 141.26 910.23 53.54 o
22 0 0 -1 1.55 42.07 49.72 <
22 0 0 0 2514.45 2661.85 72.67 o
22 0 0 1 1528.99 1093.81 57.37 o
22 0 0 2 1.36 38.24 53.54 <
24 0 0 -2 488.39 631.04 57.37 o
24 0 0 -1 34.10 19.12 57.37 <
24 0 0 0 10434.00 10896.00 191.23 o
24 0 0 1 894.70 1223.84 61.19 o
24 0 0 2 9.01 61.19 57.37 <
26 0 0 -2 168.86 1139.70 61.19 o
26 0 0 -1 3.72 84.14 57.37 <
26 0 0 0 1153.38 1116.75 65.02 o
26 0 0 1 113.38 279.19 57.37 o
26 0 0 2 51.10 114.74 61.19 <
28 0 0 -2 4.60 275.36 61.19 o
28 0 0 -1 85.97 271.54 61.19 o
28 0 0 0 72.91 87.96 61.19 <
28 0 0 1 35.20 -7.65 61.19 <
28 0 0 2 34.93 68.84 65.02 <
30 0 0 -2 12.83 -38.24 61.19 <
30 0 0 -1 0.38 -3.82 65.02 <
30 0 0 0 435.83 428.34 68.84 o
30 0 0 1 34.30 -84.14 68.84 <
30 0 0 2 4.68 68.84 68.84 <
32 0 0 -2 14.06 11.47 68.84 <
32 0 0 -1 58.10 -3.82 84.14 <
1 1 0 -2 347.51 260.07 11.47 o
1 1 0 -1 1070.99 420.69 7.65 o
1 1 0 0 3084.42 4937.42 61.19 o
1 1 0 1 1.22 38.24 7.65 o
1 1 0 2 349.51 183.58 7.65 o
3 1 0 -2 3.85 15.30 7.65 <
3 1 0 -1 2341.59 1399.77 15.30 o
3 1 0 0 320.49 336.56 7.65 o
3 1 0 1 500.71 309.78 7.65 o
3 1 0 2 41.80 15.30 7.65 <
5 1 0 -2 178.78 309.78 11.47 o
5 1 0 -1 754.00 1174.12 15.30 o
5 1 0 0 14321.90 17948.40 198.87 o
5 1 0 1 6140.75 6191.86 68.84 o
5 1 0 2 223.59 61.19 7.65 o
7 1 0 -2 424.66 340.38 45.89 o
7 1 0 -1 256.07 164.45 7.65 o
7 1 0 0 20364.40 25008.40 263.89 o
7 1 0 1 485.26 631.04 11.47 o
7 1 0 2 3.01 15.30 11.47 <
9 1 0 -2 224.84 76.49 11.47 o
9 1 0 -1 2.97 26.77 11.47 <
9 1 0 0 1467.57 1671.30 22.95 o
9 1 0 1 3947.21 3598.85 45.89 o
9 1 0 2 56.61 -49.72 15.30 <
11 1 0 -1 590.84 688.41 22.95 o
11 1 0 0 8365.51 11152.20 145.33 o
11 1 0 1 2182.19 1441.83 30.60 o
11 1 0 2 6.33 15.30 22.95 <
13 1 0 -2 799.78 263.89 26.77 o
13 1 0 -1 5.06 68.84 22.95 <
13 1 0 0 479.87 298.31 26.77 o
13 1 0 1 520.81 344.20 19.12 o
13 1 0 2 0.96 72.67 19.12 o
15 1 0 -2 14.81 149.15 19.12 o
15 1 0 -1 171.20 397.75 19.12 o
15 1 0 0 1913.90 2237.33 30.60 o
15 1 0 1 4301.94 2703.92 38.24 o
17 1 0 -2 633.13 1120.58 68.84 o
17 1 0 -1 4777.37 5664.08 65.02 o
17 1 0 0 1677.24 2195.26 34.42 o
17 1 0 1 763.02 562.20 26.77 o
17 1 0 2 58.86 -19.12 26.77 <
19 1 0 -2 91.66 451.29 26.77 o
19 1 0 -1 1.89 3.82 22.95 <
19 1 0 0 4206.35 4153.40 53.54 o
19 1 0 1 1.98 19.12 26.77 <
19 1 0 2 76.30 130.03 34.42 o
21 1 0 -2 25.04 11.47 30.60 <
21 1 0 -1 155.08 248.59 34.42 o
21 1 0 0 23.09 57.37 34.42 <
21 1 0 1 402.15 91.79 38.24 <
21 1 0 2 144.00 367.15 42.07 o
23 1 0 -2 12.41 57.37 38.24 <
23 1 0 -1 44.52 455.11 42.07 o
23 1 0 0 666.78 646.34 42.07 o
23 1 0 1 1911.04 1449.48 45.89 o
23 1 0 2 14.36 206.52 42.07 o
25 1 0 -2 537.02 979.07 42.07 o
25 1 0 -1 279.17 332.73 45.89 o
25 1 0 0 136.59 172.10 45.89 o
25 1 0 1 2062.80 1590.99 53.54 o
25 1 0 2 48.78 225.65 49.72 o
27 1 0 -2 278.44 1384.47 53.54 o
27 1 0 -1 69.83 393.92 49.72 o
27 1 0 0 3271.01 3457.34 68.84 o
27 1 0 1 269.40 340.38 49.72 o
27 1 0 2 2.93 172.10 49.72 o
29 1 0 -2 212.90 305.96 49.72 o
29 1 0 -1 57.36 156.80 49.72 o
29 1 0 0 231.26 191.23 53.54 o
29 1 0 1 331.80 164.45 53.54 o
29 1 0 2 3.01 221.82 53.54 o
31 1 0 -2 9.98 202.70 53.54 o
31 1 0 -1 193.67 309.78 57.37 o
31 1 0 0 878.01 439.82 80.31 o
31 1 0 1 358.43 42.07 103.26 <
0 2 0 0 2791.56 4034.84 84.14 o
0 2 0 1 991.04 1537.45 30.60 o
0 2 0 2 74.63 363.33 19.12 o
2 2 0 -2 993.60 508.66 22.95 o
2 2 0 -1 853.64 795.49 22.95 o
2 2 0 0 4118.59 5966.21 95.61 o
2 2 0 1 718.24 611.92 26.77 o
2 2 0 2 797.78 393.92 22.95 o
4 2 0 -2 74.26 351.85 22.95 o
4 2 0 -1 809.22 1055.56 26.77 o
4 2 0 0 244.33 688.41 22.95 o
4 2 0 1 522.89 887.28 26.77 o
4 2 0 2 34.33 45.89 19.12 <
6 2 0 -2 746.11 531.60 30.60 o
6 2 0 -1 219.34 195.05 19.12 o
6 2 0 0 130.32 256.24 19.12 o
6 2 0 1 1791.43 1954.32 30.60 o
6 2 0 2 30.09 122.38 19.12 o
8 2 0 -2 539.61 661.64 45.89 o
8 2 0 -1 150.44 244.77 19.12 o
8 2 0 0 97.75 191.23 19.12 o
8 2 0 1 174.49 187.40 19.12 o
8 2 0 2 86.09 187.40 22.95 o
10 2 0 -2 71.91 68.84 19.12 o
10 2 0 -1 263.31 370.98 22.95 o
10 2 0 0 54.98 11.47 22.95 <
10 2 0 1 962.69 573.67 22.95 o
10 2 0 2 316.57 84.14 22.95 o
12 2 0 -2 120.82 451.29 22.95 o
12 2 0 -1 224.62 298.31 26.77 o
12 2 0 0 1539.02 1376.82 34.42 o
12 2 0 1 676.99 940.83 34.42 o
12 2 0 2 38.66 401.57 26.77 o
14 2 0 -2 650.65 726.65 30.60 o
14 2 0 -1 585.10 730.48 26.77 o
14 2 0 0 2529.11 2508.87 38.24 o
14 2 0 1 327.43 229.47 30.60 o
14 2 0 2 0.96 95.61 30.60 o
16 2 0 -2 40.64 141.51 30.60 o
16 2 0 -1 149.21 145.33 30.60 o
16 2 0 0 42.02 3.82 30.60 <
16 2 0 1 56.74 3.82 30.60 <
16 2 0 2 56.04 810.79 34.42 o
18 2 0 -2 134.12 -7.65 30.60 <
18 2 0 -1 486.91 1028.79 34.42 o
18 2 0 0 848.36 485.71 34.42 o
18 2 0 1 27.85 65.02 34.42 <
18 2 0 2 220.04 126.21 34.42 o
20 2 0 -2 2.40 130.03 34.42 o
20 2 0 -1 212.44 156.80 34.42 o
20 2 0 0 47.73 508.66 38.24 o
20 2 0 1 1301.79 887.28 38.24 o
20 2 0 2 21.80 84.14 38.24 <
22 2 0 -2 597.53 730.48 38.24 o
22 2 0 -1 175.67 175.93 38.24 o
22 2 0 0 179.76 237.12 42.07 o
22 2 0 1 14.78 0.00 42.07 <
22 2 0 2 1.08 30.60 45.89 <
24 2 0 -2 8.77 45.89 42.07 <
24 2 0 -1 26.26 19.12 42.07 <
24 2 0 0 145.72 168.28 45.89 o
24 2 0 1 57.37 72.67 49.72 <
24 2 0 2 13.58 252.42 49.72 o
26 2 0 -2 75.73 91.79 49.72 <
26 2 0 -1 186.34 290.66 53.54 o
26 2 0 0 920.11 566.03 53.54 o
26 2 0 1 161.97 179.75 53.54 o
26 2 0 2 0.12 -11.47 57.37 <
28 2 0 -2 72.21 168.28 53.54 o
28 2 0 -1 31.26 -45.89 57.37 <
28 2 0 0 0.01 19.12 57.37 <
28 2 0 1 243.69 107.09 65.02 <
28 2 0 2 1.29 -7.65 76.49 <
30 2 0 -2 45.95 141.51 68.84 <
30 2 0 -1 0.31 137.68 114.74 <
1 3 0 -2 42.65 -15.30 34.42 <
1 3 0 -1 212.21 72.67 38.24 <
1 3 0 0 501.61 175.93 34.42 o
1 3 0 1 13.57 -19.12 42.07 <
1 3 0 2 72.39 30.60 42.07 <
3 3 0 -2 9.21 -68.84 42.07 <
3 3 0 -1 146.83 198.87 42.07 o
3 3 0 0 470.51 328.91 42.07 o
3 3 0 1 193.62 95.61 45.89 <
3 3 0 2 36.41 210.35 45.89 o
5 3 0 -2 0.06 30.60 45.89 <
5 3 0 -1 490.97 378.62 45.89 o
5 3 0 0 2075.54 1950.49 61.19 o
5 3 0 1 1050.05 780.20 49.72 o
5 3 0 2 110.13 355.68 49.72 o
7 3 0 -2 236.70 611.92 49.72 o
7 3 0 -1 476.84 661.64 49.72 o
7 3 0 0 3721.72 4092.21 87.96 o
7 3 0 1 60.96 160.63 49.72 o
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9 3 0 -2 0.31 149.15 49.72 o
9 3 0 -1 1042.78 1503.03 61.19 o
9 3 0 0 2297.87 2378.84 68.84 o
9 3 0 1 291.30 61.19 53.54 <
9 3 0 2 774.12 2015.51 87.96 o
11 3 0 -2 4.59 42.07 49.72 <
11 3 0 -1 3292.84 3426.75 84.14 o
11 3 0 0 1006.59 1139.70 65.02 o
11 3 0 1 550.97 229.47 61.19 o
11 3 0 2 157.91 1307.98 68.84 o
13 3 0 -2 4.07 168.28 61.19 <
13 3 0 -1 1864.56 1835.76 72.67 o
13 3 0 0 224.69 508.66 61.19 o
13 3 0 1 1315.15 1059.39 68.84 o
13 3 0 2 216.15 902.58 68.84 o
15 3 0 -2 216.29 994.37 68.84 o
15 3 0 -1 1172.04 1426.54 72.67 o
15 3 0 0 136.13 -22.95 72.67 <
15 3 0 1 375.97 130.03 72.67 <
15 3 0 2 9.03 160.63 72.67 <
17 3 0 -2 112.95 164.45 72.67 <
17 3 0 -1 54.94 107.09 76.49 <
17 3 0 0 32.06 367.15 76.49 o
17 3 0 1 58.46 72.67 76.49 <
17 3 0 2 0.46 -84.14 80.31 <
19 3 0 -2 15.14 107.09 76.49 <
19 3 0 -1 1.61 3.82 80.31 <
19 3 0 0 1016.86 1472.43 87.96 o
19 3 0 1 24.09 26.77 80.31 <
19 3 0 2 170.00 562.20 84.14 o
21 3 0 -2 1.35 -19.12 80.31 <
21 3 0 -1 696.65 719.01 84.14 o
21 3 0 0 124.38 313.61 84.14 o
21 3 0 1 1.16 34.42 84.14 <
21 3 0 2 79.27 160.63 95.61 <
23 3 0 -2 19.44 49.72 91.79 <
23 3 0 -1 278.98 76.49 95.61 <
23 3 0 0 22.92 45.89 95.61 <
0 4 0 0 1607.80 2157.02 175.93 o
0 4 0 1 1215.96 1040.26 95.61 o
0 4 0 2 259.54 206.52 91.79 <
2 4 0 -2 233.60 810.79 95.61 o
2 4 0 -1 122.58 130.03 91.79 <
2 4 0 0 1.28 99.44 91.79 <
2 4 0 1 560.53 405.40 91.79 o
2 4 0 2 119.66 328.91 91.79 o
4 4 0 -2 413.25 290.66 91.79 o
4 4 0 -1 598.88 428.34 91.79 o
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4 4 0 1 248.38 263.89 91.79 <
4 4 0 2 15.34 -87.96 91.79 <
6 4 0 -2 19.94 229.47 91.79 <
6 4 0 -1 23.41 -130.03 95.61 <
6 4 0 0 182.28 3.82 110.91 <
6 4 0 1 254.16 3.82 110.91 <
6 4 0 2 148.50 382.45 114.74 o
8 4 0 -2 148.03 -126.21 110.91 <
8 4 0 -1 480.41 455.11 110.91 o
8 4 0 0 1411.39 1663.66 122.38 o
8 4 0 1 366.76 309.78 95.61 o
8 4 0 2 0.17 -11.47 248.59 <
10 4 0 -2 84.47 485.71 137.68 o
10 4 0 -1 33.72 68.84 133.86 <
-31 1 1 2 49.81 237.12 87.96 <
-29 1 1 -2 3.69 -49.72 87.96 <
-29 1 1 -1 391.73 221.82 87.96 <
-29 1 1 0 256.42 191.23 53.54 o
-29 1 1 1 244.28 267.71 53.54 o
-29 1 1 2 411.27 1005.84 53.54 o
-27 1 1 -2 91.57 149.15 49.72 o
-27 1 1 -1 1080.16 1082.33 53.54 o
-27 1 1 0 5350.40 5098.05 91.79 o
-27 1 1 1 323.17 435.99 49.72 o
-27 1 1 2 131.45 118.56 45.89 <
-25 1 1 -2 0.08 279.19 45.89 o
-25 1 1 -1 3.27 126.21 42.07 <
-25 1 1 0 848.31 1116.75 49.72 o
-25 1 1 1 413.46 535.43 42.07 o
-25 1 1 2 7.15 53.54 42.07 <
-23 1 1 -2 271.18 225.65 42.07 o
-23 1 1 -1 144.69 7.65 42.07 <
-23 1 1 0 1338.16 1510.68 49.72 o
-23 1 1 1 78.96 145.33 38.24 o
-23 1 1 2 139.28 424.52 38.24 o
-21 1 1 -2 69.14 26.77 38.24 <
-21 1 1 -1 569.78 497.18 38.24 o
-21 1 1 0 615.34 745.78 38.24 o
-21 1 1 1 589.19 455.11 34.42 o
-21 1 1 2 63.86 -3.82 26.77 <
-19 1 1 -2 95.59 172.10 34.42 o
-19 1 1 -1 1.77 11.47 26.77 <
-19 1 1 0 3.49 26.77 26.77 <
-19 1 1 1 62.00 305.96 26.77 o
-19 1 1 2 151.15 516.31 26.77 o
-17 1 1 -2 188.90 195.05 26.77 o
-17 1 1 -1 1282.79 1040.26 26.77 o
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-17 1 1 1 159.73 271.54 22.95 o
-17 1 1 2 123.15 80.31 19.12 o
-15 1 1 -2 6.12 65.02 22.95 <
-15 1 1 -1 394.65 290.66 19.12 o
-15 1 1 0 3800.88 3407.63 45.89 o
-15 1 1 1 127.54 202.70 19.12 o
-15 1 1 2 352.04 822.27 45.89 o
-13 1 1 -2 177.60 0.00 19.12 <
-13 1 1 -1 1415.29 1296.50 30.60 o
-13 1 1 0 199.68 546.90 26.77 o
-13 1 1 1 1343.25 1636.88 30.60 o
-11 1 1 -2 359.83 122.38 22.95 o
-11 1 1 -1 985.28 1518.32 34.42 o
-11 1 1 0 3018.14 2715.39 38.24 o
-11 1 1 1 573.41 1460.96 22.95 o
-11 1 1 2 1057.19 1323.28 45.89 o
-9 1 1 -2 654.60 244.77 11.47 o
-9 1 1 -1 4767.05 3652.39 49.72 o
-9 1 1 0 2749.58 2290.87 30.60 o
-9 1 1 1 356.58 455.11 11.47 o
-9 1 1 2 281.76 225.65 11.47 o
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-5 1 1 -2 409.91 122.38 7.65 o
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-5 1 1 2 28.72 91.79 7.65 o
-3 1 1 -2 35.56 7.65 7.65 <
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7 1 1 -2 2225.99 1782.21 30.60 o
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7 1 1 0 13710.60 16319.10 149.15 o
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7 1 1 2 0.13 11.47 11.47 <
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9 1 1 0 1132.63 2340.59 26.77 o
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9 1 1 2 173.07 416.87 30.60 o
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11 1 1 2 263.17 485.71 30.60 o
13 1 1 -2 464.14 145.33 22.95 o
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13 1 1 0 1005.34 1315.63 26.77 o
13 1 1 1 616.58 470.41 19.12 o
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15 1 1 0 19751.40 22855.20 218.00 o
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