#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2213264.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_2213264_Fobs
loop_
_publ_author_name
'Zhai, Jun'
'Pan, Qian-Xiu'
'Yin, Han-Dong'
'Li, Feng'
'Wang, Da-Qi'
_publ_section_title
;
Bromidobis(pyrrolidine-1-dithiocarboxylato-\k^2^S,S')antimony(III)
;
_journal_coeditor_code CV2226
_journal_issue 5
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first m1356
_journal_page_last m1357
_journal_volume 63
_journal_year 2007
_space_group_IT_number 2
_symmetry_space_group_name_Hall '-P 1'
_symmetry_space_group_name_H-M 'P -1'
_cell_angle_alpha 110.716
_cell_angle_beta 92.361
_cell_angle_gamma 102.869
_cell_length_a 6.4655
_cell_length_b 10.4709
_cell_length_c 13.3937
_exptl_crystal_F_000 480.00
_reflns_d_resolution_high 0.8406
_[local]_cod_data_source_file cv2226Isup2.hkl
_[local]_cod_data_source_block I
#BEGIN Tags that were not found in dictionaries:
_shelx_title ' 060620a in P-1'
_shelx_refln_list_code 4
_shelx_f_calc_maximum 201.66
_shelx_f_squared_multiplier 1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-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
1 0 0 22355.70 24381.88 587.20 o
2 0 0 4857.47 4701.77 114.89 o
3 0 0 4848.59 4390.30 109.34 o
4 0 0 1753.75 1714.97 48.33 o
5 0 0 379.23 342.84 18.10 o
6 0 0 48.30 51.41 9.99 o
-7 1 0 152.10 170.08 19.38 o
-6 1 0 445.80 489.26 22.16 o
-5 1 0 150.73 150.83 8.77 o
-4 1 0 301.07 322.03 10.02 o
-3 1 0 317.89 314.42 8.47 o
-2 1 0 2019.98 2015.68 31.79 o
-1 1 0 3802.70 4090.40 99.27 o
0 1 0 978.77 973.12 17.03 o
1 1 0 692.88 554.12 10.77 o
2 1 0 6151.15 6173.58 150.08 o
3 1 0 7729.66 7997.34 195.08 o
4 1 0 681.54 674.47 24.59 o
5 1 0 9.83 7.13 7.43 o
6 1 0 166.24 172.72 17.08 o
-7 2 0 113.82 119.90 17.59 o
-6 2 0 1049.98 1172.56 41.63 o
-5 2 0 2732.89 2898.33 79.29 o
-4 2 0 2617.62 2621.49 69.94 o
-3 2 0 6450.41 6549.31 160.37 o
-2 2 0 2503.70 2708.08 68.19 o
-1 2 0 41.16 50.90 5.51 o
0 2 0 4032.51 4526.54 102.64 o
1 2 0 914.36 947.32 14.56 o
2 2 0 357.19 405.79 10.02 o
3 2 0 892.36 902.99 19.12 o
4 2 0 117.65 108.29 7.71 o
5 2 0 47.00 50.59 6.88 o
6 2 0 11.96 7.25 10.42 o
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-6 3 0 326.60 354.15 23.06 o
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-3 3 0 272.50 235.15 12.98 o
-2 3 0 197.51 243.35 11.87 o
-1 3 0 51.16 101.75 7.60 o
0 3 0 10.39 9.61 2.59 o
1 3 0 83.89 63.03 4.54 o
2 3 0 226.48 237.38 10.09 o
3 3 0 1230.04 1186.09 19.70 o
4 3 0 2689.33 2621.30 48.69 o
5 3 0 1507.90 1456.55 31.49 o
-7 4 0 230.91 242.06 22.54 o
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-5 4 0 737.98 679.08 27.24 o
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-3 4 0 4150.33 4522.66 114.13 o
-2 4 0 12008.14 13008.44 313.09 o
-1 4 0 8593.91 8995.32 149.01 o
0 4 0 445.49 415.02 12.92 o
1 4 0 278.66 277.75 10.23 o
2 4 0 850.09 817.45 14.75 o
3 4 0 38.00 27.65 4.87 o
4 4 0 216.17 204.03 10.18 o
5 4 0 87.90 85.19 8.55 o
-7 5 0 3.81 -5.68 13.06 o
-6 5 0 86.68 67.17 14.26 o
-5 5 0 440.47 410.35 21.52 o
-4 5 0 1087.83 1051.52 34.71 o
-3 5 0 2345.52 2097.27 57.94 o
-2 5 0 2658.01 2497.12 66.43 o
-1 5 0 4182.75 3970.14 68.99 o
0 5 0 8792.97 9038.92 151.13 o
1 5 0 10644.05 10794.88 180.00 o
2 5 0 4704.77 4707.73 82.54 o
3 5 0 531.13 535.35 15.68 o
4 5 0 478.37 511.95 16.22 o
5 5 0 280.75 274.20 13.28 o
-7 6 0 190.94 184.16 20.79 o
-6 6 0 22.99 24.30 12.26 o
-5 6 0 332.93 324.39 20.20 o
-4 6 0 96.51 87.62 11.78 o
-3 6 0 177.24 170.59 15.29 o
-2 6 0 4172.37 4099.67 105.46 o
-1 6 0 3390.69 3128.47 64.96 o
0 6 0 3756.87 3868.82 99.72 o
1 6 0 1462.04 1524.37 32.21 o
2 6 0 866.61 919.58 22.87 o
3 6 0 1131.37 1131.02 26.78 o
4 6 0 485.39 520.68 20.11 o
5 6 0 24.36 14.48 10.50 o
-7 7 0 38.27 35.65 15.93 o
-6 7 0 155.95 150.00 16.78 o
-5 7 0 501.59 490.88 25.83 o
-4 7 0 220.21 214.61 18.32 o
-3 7 0 12.24 13.83 8.80 o
-2 7 0 271.93 274.56 17.12 o
-1 7 0 1255.60 1192.23 43.91 o
0 7 0 78.08 95.26 8.02 o
1 7 0 17.02 13.66 6.24 o
2 7 0 275.07 239.84 12.73 o
3 7 0 265.61 228.31 12.99 o
4 7 0 84.26 71.29 12.83 o
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-5 8 0 401.30 363.63 24.38 o
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-3 8 0 27.32 12.30 10.42 o
-2 8 0 836.15 723.06 29.37 o
-1 8 0 7.43 4.02 6.77 o
0 8 0 77.33 88.11 8.94 o
1 8 0 98.96 104.36 9.75 o
2 8 0 542.94 514.12 18.67 o
3 8 0 84.72 70.03 10.03 o
4 8 0 58.74 34.07 12.85 o
-6 9 0 86.33 60.29 17.76 o
-5 9 0 224.43 231.78 22.46 o
-4 9 0 426.61 446.98 26.81 o
-3 9 0 243.56 276.18 21.01 o
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-1 9 0 1630.28 1544.70 35.17 o
0 9 0 493.13 501.02 18.09 o
1 9 0 5.21 2.98 8.13 o
2 9 0 12.90 3.66 8.57 o
3 9 0 0.72 -11.66 7.77 o
-5 10 0 127.13 140.87 20.62 o
-4 10 0 661.79 635.74 31.81 o
-3 10 0 729.83 718.62 33.35 o
-2 10 0 1133.27 1145.40 43.34 o
-1 10 0 742.75 816.39 36.72 o
0 10 0 310.28 320.75 30.72 o
1 10 0 474.80 534.51 23.76 o
2 10 0 436.00 515.25 21.76 o
-4 11 0 20.21 48.81 16.78 o
-3 11 0 14.57 20.37 14.86 o
-2 11 0 137.69 144.41 19.81 o
-1 11 0 371.39 387.93 28.27 o
0 11 0 398.25 448.96 22.12 o
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0 -11 1 330.18 330.60 18.22 o
1 -11 1 148.94 182.69 14.06 o
2 -11 1 140.75 144.03 19.00 o
3 -11 1 40.54 35.18 15.50 o
4 -11 1 1.74 -1.41 14.65 o
-2 -10 1 163.88 160.68 14.13 o
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0 -10 1 2.15 0.39 8.27 o
1 -10 1 75.23 89.79 10.72 o
2 -10 1 13.96 34.29 13.19 o
3 -10 1 23.20 25.71 12.72 o
4 -10 1 72.00 88.43 16.99 o
5 -10 1 239.26 222.98 23.36 o
-3 -9 1 46.71 30.27 12.90 o
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0 -9 1 6.38 6.05 7.27 o
1 -9 1 37.79 24.02 7.82 o
2 -9 1 560.74 512.48 25.53 o
3 -9 1 859.47 840.34 33.86 o
4 -9 1 77.36 77.89 14.99 o
5 -9 1 260.12 216.66 22.67 o
6 -9 1 211.76 214.91 23.66 o
-4 -8 1 4.88 1.75 11.23 o
-3 -8 1 69.36 53.68 9.05 o
-2 -8 1 1.39 -5.93 6.94 o
-1 -8 1 15.94 9.12 6.74 o
0 -8 1 614.60 634.72 40.97 o
1 -8 1 4896.71 4776.31 85.16 o
2 -8 1 4796.52 4525.18 118.10 o
3 -8 1 1045.62 1055.10 37.53 o
4 -8 1 1506.19 1480.53 48.59 o
5 -8 1 1744.69 1796.01 57.81 o
6 -8 1 607.90 619.13 31.47 o
-4 -7 1 536.64 567.94 25.66 o
-3 -7 1 647.76 665.45 30.16 o
-2 -7 1 218.36 200.74 23.02 o
-1 -7 1 335.90 347.60 20.01 o
0 -7 1 395.63 393.02 13.69 o
1 -7 1 7.97 10.47 5.03 o
2 -7 1 85.76 101.50 11.53 o
3 -7 1 265.69 270.21 18.10 o
4 -7 1 2035.94 1986.13 59.09 o
5 -7 1 250.41 266.45 19.81 o
6 -7 1 2.29 -0.64 12.72 o
7 -7 1 31.75 18.28 15.84 o
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-4 -6 1 1397.33 1380.34 30.98 o
-3 -6 1 1313.08 1318.20 67.72 o
-2 -6 1 4345.50 4307.53 149.52 o
-1 -6 1 7567.54 7892.40 248.47 o
0 -6 1 3241.31 3249.34 58.46 o
1 -6 1 1095.85 1128.77 23.76 o
2 -6 1 1509.04 1550.55 45.09 o
3 -6 1 1172.19 1200.01 38.34 o
4 -6 1 373.91 351.89 19.26 o
5 -6 1 35.31 30.70 10.80 o
6 -6 1 37.57 22.55 12.26 o
7 -6 1 9.44 6.49 14.82 o
-6 -5 1 5.41 -7.22 12.13 o
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-4 -5 1 42.87 47.85 6.72 o
-3 -5 1 48.10 47.69 6.00 o
-2 -5 1 1510.11 1512.40 30.77 o
-1 -5 1 2587.91 2666.39 75.53 o
0 -5 1 90.64 89.32 5.98 o
1 -5 1 11.75 10.28 3.56 o
2 -5 1 771.01 854.30 27.71 o
3 -5 1 234.96 196.46 13.83 o
4 -5 1 35.53 19.90 7.99 o
5 -5 1 90.78 78.57 11.74 o
6 -5 1 863.14 784.97 32.45 o
7 -5 1 176.38 185.19 20.45 o
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0 -4 1 6208.29 6023.14 83.08 o
1 -4 1 2645.23 2607.42 45.68 o
2 -4 1 3087.47 3238.83 82.49 o
3 -4 1 3565.04 3494.75 89.66 o
4 -4 1 1030.81 922.70 30.91 o
5 -4 1 3.50 -8.07 8.37 o
6 -4 1 78.89 69.13 14.47 o
7 -4 1 30.21 33.35 14.86 o
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-5 -3 1 55.12 52.51 7.09 o
-4 -3 1 194.60 184.07 13.44 o
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-1 -3 1 68.26 63.02 2.97 o
0 -3 1 131.55 108.54 3.47 o
1 -3 1 4995.15 4952.11 68.38 o
2 -3 1 13756.30 14372.45 344.30 o
3 -3 1 7696.45 7485.50 183.21 o
4 -3 1 4175.20 4085.15 105.07 o
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6 -3 1 2000.00 2112.00 64.21 o
7 -3 1 357.51 426.10 27.50 o
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6 -2 1 397.42 449.58 16.40 o
7 -2 1 34.67 37.28 15.33 o
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3 -1 1 304.16 295.18 13.28 o
4 -1 1 2724.87 2591.26 69.55 o
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6 -1 1 39.39 19.68 7.82 o
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0 0 1 3348.30 3543.08 62.57 o
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2 0 1 205.71 193.98 9.78 o
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4 0 1 29.51 38.86 7.47 o
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-5 1 1 951.12 1012.62 34.50 o
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-1 1 1 159.69 161.57 6.58 o
0 1 1 1781.95 1846.30 26.52 o
1 1 1 32075.65 36915.63 604.60 o
2 1 1 2476.48 2441.95 42.30 o
3 1 1 3020.48 3023.95 52.88 o
4 1 1 1611.55 1532.06 45.43 o
5 1 1 23.88 18.82 5.93 o
6 1 1 17.36 13.66 10.29 o
7 1 1 6.11 -7.73 11.95 o
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-6 2 1 55.05 50.73 12.51 o
-5 2 1 640.84 635.91 25.28 o
-4 2 1 207.58 202.40 12.68 o
-3 2 1 3904.79 4147.44 103.54 o
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-1 2 1 1049.21 1035.89 27.97 o
0 2 1 9178.18 9853.73 134.76 o
1 2 1 6198.17 6545.56 108.61 o
2 2 1 5040.84 5144.17 86.63 o
3 2 1 4530.09 4371.02 75.09 o
4 2 1 3521.20 3360.80 82.00 o
5 2 1 1354.18 1383.87 50.13 o
6 2 1 342.12 338.10 21.95 o
-7 3 1 230.62 260.81 22.71 o
-6 3 1 467.10 474.65 24.93 o
-5 3 1 541.62 508.25 22.20 o
-4 3 1 686.36 562.26 21.13 o
-3 3 1 3319.50 3391.98 86.50 o
-2 3 1 12435.20 13578.13 325.77 o
-1 3 1 5046.12 4937.19 121.34 o
0 3 1 2292.05 2463.07 35.52 o
1 3 1 1052.48 1104.03 21.94 o
2 3 1 892.02 915.99 19.37 o
3 3 1 601.00 544.00 14.23 o
4 3 1 1167.83 1155.53 31.64 o
5 3 1 657.44 682.97 19.01 o
6 3 1 349.00 382.12 24.04 o
-7 4 1 238.42 233.44 21.95 o
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-4 4 1 4645.95 4687.46 119.51 o
-3 4 1 6722.71 6705.53 165.45 o
-2 4 1 2304.80 2079.59 55.76 o
-1 4 1 1082.93 963.01 28.99 o
0 4 1 5053.68 5404.77 75.66 o
1 4 1 1661.47 1622.47 41.95 o
2 4 1 0.77 1.43 3.61 o
3 4 1 591.13 573.60 15.47 o
4 4 1 51.75 46.87 6.81 o
5 4 1 316.16 296.33 13.39 o
6 4 1 78.85 45.22 13.62 o
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0 5 1 274.43 232.75 9.82 o
1 5 1 430.55 425.30 13.84 o
2 5 1 430.15 423.66 23.94 o
3 5 1 909.97 915.94 22.31 o
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5 5 1 39.11 25.39 8.02 o
-7 6 1 9.28 -12.85 12.51 o
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3 6 1 1349.96 1338.66 30.65 o
4 6 1 176.13 135.44 13.58 o
5 6 1 15.87 23.06 12.43 o
-7 7 1 1.11 -5.42 15.50 o
-6 7 1 25.47 9.52 13.96 o
-5 7 1 46.73 37.11 12.90 o
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2 7 1 1790.44 1733.18 52.09 o
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2 8 1 534.50 533.90 24.55 o
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0 9 1 358.92 348.27 16.34 o
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-3 10 1 1.51 7.56 13.92 o
-2 10 1 125.31 122.64 18.06 o
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0 10 1 5.43 16.34 9.62 o
1 10 1 2.49 -2.16 9.33 o
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1 -11 2 27.69 31.02 9.54 o
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0 -10 2 607.77 641.18 45.92 o
1 -10 2 515.63 522.17 18.71 o
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4 -10 2 2.48 -2.22 12.30 o
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1 -9 2 2517.67 2432.89 49.55 o
2 -9 2 2636.84 2474.62 70.92 o
3 -9 2 443.61 435.03 24.42 o
4 -9 2 184.70 188.14 19.30 o
5 -9 2 897.54 818.31 35.74 o
6 -9 2 493.87 512.52 29.97 o
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-2 -8 2 43.33 30.22 8.13 o
-1 -8 2 168.11 159.61 11.06 o
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1 -8 2 375.10 361.37 13.68 o
2 -8 2 1790.06 1761.89 52.77 o
3 -8 2 766.19 832.27 32.32 o
4 -8 2 441.77 418.93 23.96 o
5 -8 2 188.27 178.91 18.15 o
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