#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2201794.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_2201794_Fobs
loop_
_publ_author_name
'Lutz, Martin'
'Bakker, Ruud'
_publ_section_title
;
 Redetermination of chloro(triethanolaminato)zinc(II) at 150K
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m74
_journal_page_last               m76
_journal_volume                  59
_journal_year                    2003
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.413
_cell_angle_beta                 77.541
_cell_angle_gamma                74.655
_cell_length_a                   7.4014
_cell_length_b                   8.0163
_cell_length_c                   8.2906
_exptl_crystal_F_000             256.00
_reflns_d_resolution_high        0.7660
_[local]_cod_data_source_file    bt6232Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' m025b'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            98.01
_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
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-1 -2 4 1759.75 1805.56 20.59 o
-1 2 4 9.18 9.41 0.89 o
-1 -6 -3 1486.70 1505.02 26.05 o
-2 0 9 106.96 103.99 5.68 o
-2 -4 8 390.88 396.21 20.66 o
-2 4 8 337.52 317.19 7.79 o
-1 -6 3 348.04 358.75 3.03 o
-5 -1 4 436.36 433.25 6.47 o
-1 6 3 303.88 282.07 6.57 o
-5 1 4 931.27 912.81 20.76 o
-5 -5 3 1.45 0.91 1.95 o
-5 -5 -3 114.27 116.06 2.33 o
-5 5 3 402.73 376.17 15.95 o
-1 6 -3 281.34 271.00 6.81 o
-9 -4 -3 219.81 229.94 10.78 o
-9 0 -4 75.33 77.55 10.44 o
-5 -1 -4 1612.80 1565.20 44.48 o
-5 1 -4 1805.20 1810.37 72.62 o
-5 5 -3 27.34 33.08 2.69 o
-1 2 -4 917.26 957.96 14.41 o
-1 -2 -4 2867.08 2952.40 48.09 o
-6 -3 -8 669.54 659.20 38.18 o
-6 3 -8 52.76 49.96 5.17 o
-2 4 -8 1032.89 1061.47 34.04 o
-2 0 -9 5.16 0.10 3.22 o
-6 -7 -7 425.89 419.52 19.85 o
-5 -9 -2 14.47 11.64 3.25 o
-1 -10 2 107.86 116.02 7.96 o
-5 -9 2 55.32 42.02 5.22 o
-1 -10 -2 178.41 176.68 9.00 o
-2 0 -10 701.29 744.33 19.85 o
-2 -4 -9 6.29 4.21 4.14 o
-1 -2 5 20.92 19.24 1.54 o
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-1 2 5 113.14 106.18 1.78 o
-2 -4 9 132.64 135.67 8.76 o
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-1 6 4 382.20 382.95 9.79 o
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-5 1 5 117.32 120.85 5.22 o
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-5 5 4 140.64 137.67 7.79 o
-5 -5 -4 214.91 207.43 4.67 o
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-8 -2 0 275.11 279.93 8.35 o
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-5 5 -4 294.80 298.04 8.80 o
-1 -2 -5 27.27 26.51 1.80 o
-6 -3 -9 111.49 118.33 10.37 o
0 0 -1 8308.91 7603.60 200.71 o
-1 2 -5 1370.52 1467.15 20.49 o
-2 4 -9 82.25 92.20 6.71 o
-1 6 -4 693.44 651.07 22.23 o
-5 -9 -3 4.32 5.82 3.44 o
0 -4 0 1217.03 1262.28 12.39 o
-5 -9 3 183.91 171.32 18.43 o
-1 -2 6 25.97 27.13 2.09 o
-1 -6 -5 9.69 11.02 1.76 o
-1 2 6 1683.30 1714.78 23.72 o
-4 -3 1 213.34 242.38 2.43 o
-1 6 5 16.93 8.52 2.38 o
-5 -1 6 156.24 151.81 4.02 o
-5 1 6 371.93 372.01 12.65 o
-5 -5 5 2.14 1.83 2.89 o
-4 -3 -1 473.93 438.09 5.92 o
-4 3 1 208.04 210.22 2.62 o
-8 -2 1 69.18 72.36 3.49 o
-8 2 1 204.50 196.58 19.36 o
-8 -2 -1 983.11 1004.89 28.70 o
-4 3 -1 594.37 579.36 16.43 o
-8 2 -1 60.54 59.90 5.44 o
-9 -4 -5 164.97 159.17 8.54 o
-5 -1 -6 278.21 261.45 14.36 o
-5 1 -6 347.31 327.77 6.18 o
-5 -5 -5 36.51 36.11 2.26 o
-5 5 -5 598.06 585.42 10.70 o
0 0 -2 22.91 17.97 0.65 o
-1 2 -6 27.89 33.32 1.42 o
-1 -2 -6 14.99 18.69 2.50 o
-1 6 -5 5.16 4.69 3.85 o
-1 -6 5 135.58 131.89 2.89 o
-4 -7 0 664.66 673.51 13.83 o
-5 -9 -4 69.73 82.24 7.51 o
0 -4 1 1674.82 1659.93 15.73 o
-4 7 0 286.99 300.52 10.39 o
0 -8 0 376.96 369.96 22.59 o
-8 -6 0 337.74 269.46 11.62 o
0 -4 -1 202.31 212.93 2.48 o
-1 2 -7 13.55 18.02 1.49 o
-1 -2 -7 972.83 998.35 29.66 o
-1 -6 -6 127.91 134.06 18.02 o
-1 -2 7 842.39 845.53 16.50 o
-1 2 7 400.91 382.62 10.25 o
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-1 6 6 59.40 72.02 4.02 o
-5 -1 7 369.70 373.04 22.66 o
-5 1 7 464.63 449.34 29.71 o
-5 -5 6 0.57 -1.27 3.03 o
-4 3 2 52.09 50.54 1.13 o
-4 -3 -2 129.92 132.61 2.41 o
-8 -2 2 262.45 266.02 9.02 o
-8 -2 -2 324.93 337.20 9.81 o
-8 2 -2 274.46 289.31 16.24 o
-4 3 -2 173.56 169.85 3.68 o
0 -4 2 262.81 256.06 5.00 o
-5 -1 -7 396.48 403.26 9.04 o
-5 1 -7 758.42 784.91 16.21 o
-5 -5 -6 1.47 0.87 2.89 o
-5 5 -6 76.51 63.79 4.69 o
0 -4 -2 963.82 976.46 18.55 o
0 0 -3 7590.15 7734.94 108.92 o
-1 6 -6 59.52 56.96 5.82 o
-1 -6 6 15.04 12.97 2.79 o
-8 -6 1 138.89 120.42 18.81 o
-4 -7 1 633.27 617.01 13.25 o
-4 -7 -1 549.04 564.71 10.61 o
-5 -9 -5 89.76 86.12 5.75 o
0 -8 1 3.96 1.06 2.19 o
-4 7 1 110.71 109.55 6.74 o
0 -8 -1 136.21 143.78 4.09 o
-8 -6 -1 312.71 249.35 10.54 o
-4 7 -1 330.96 319.42 9.19 o
0 0 -4 6278.88 6257.10 121.24 o
-1 2 -8 174.05 163.24 5.89 o
-1 -2 -8 1453.75 1422.41 33.60 o
-1 -6 -7 701.85 663.00 16.24 o
-1 -2 8 620.91 600.12 16.53 o
-1 2 8 14.02 14.96 9.33 o
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-4 -3 3 483.84 464.43 6.71 o
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-8 -2 3 150.09 145.96 4.91 o
-4 -3 -3 65.40 57.01 1.06 o
-8 -2 -3 64.90 70.24 3.01 o
-8 2 -3 213.82 219.62 9.07 o
-4 3 -3 829.67 802.13 26.22 o
0 -4 3 67.80 70.41 1.66 o
0 -4 -3 2042.90 2238.95 30.69 o
-5 -1 -8 864.85 881.35 21.24 o
-5 1 -8 885.53 890.66 13.45 o
-5 -5 -7 140.54 139.49 12.56 o
-5 5 -7 136.19 135.57 8.61 o
-1 6 -7 1095.33 1009.70 99.73 o
-1 -6 7 482.80 455.17 34.69 o
-5 -5 7 7.65 14.65 5.44 o
-4 -7 2 599.05 577.68 17.73 o
-4 -7 -2 411.54 399.96 12.94 o
0 -8 2 82.92 79.45 2.53 o
0 -8 -2 5.23 3.78 2.89 o
-8 -6 2 40.47 30.60 8.88 o
-8 -6 -2 122.84 103.24 7.67 o
-4 7 2 157.11 143.49 5.82 o
-4 7 -2 77.16 63.60 5.46 o
0 0 -5 668.80 630.36 11.31 o
-1 2 -9 17.31 14.51 3.34 o
-1 -2 -9 65.37 68.17 3.49 o
-1 -6 -8 60.89 71.20 9.07 o
-1 -2 9 33.14 34.66 3.05 o
-1 2 9 175.42 191.33 16.91 o
-4 -3 4 251.40 242.69 4.33 o
-3 1 0 179.19 179.06 3.61 o
-4 3 4 652.43 645.99 26.97 o
-3 -1 0 204.52 179.26 2.81 o
-7 0 0 1081.89 1073.83 30.93 o
-4 -3 -4 14.81 15.95 0.87 o
-8 -2 -4 317.96 310.40 4.98 o
-8 2 -4 46.93 49.02 7.96 o
-4 3 -4 1973.54 1957.18 37.00 o
0 -4 -4 319.73 336.58 8.25 o
-5 -1 -9 155.45 159.51 4.79 o
-5 1 -9 122.10 129.51 7.19 o
-5 -5 -8 0.74 -0.63 3.75 o
-1 6 -8 442.30 433.04 12.63 o
-1 -6 8 774.82 722.32 60.52 o
-4 -7 3 1239.32 1255.83 58.41 o
0 -4 4 1050.37 1115.66 16.62 o
-4 -7 -3 529.29 516.79 10.42 o
0 -8 -3 13.20 10.99 3.08 o
0 -8 3 161.89 159.00 5.03 o
-8 -6 -3 128.51 126.17 7.75 o
-4 7 -3 84.26 82.39 30.67 o
0 0 -6 892.53 868.45 17.66 o
-1 2 -10 74.42 75.00 7.07 o
-1 -2 -10 6.25 4.76 4.52 o
0 -4 -5 9.59 12.44 2.16 o
-1 -2 10 269.81 298.21 35.22 o
-3 1 1 52.37 56.77 1.06 o
-3 -5 0 2106.60 2160.37 25.28 o
-3 -1 1 1093.95 1166.13 16.89 o
-4 -3 5 292.06 299.15 4.81 o
-4 3 5 48.69 46.21 2.84 o
-3 1 -1 468.59 429.67 6.93 o
-3 -1 -1 1006.30 960.99 10.82 o
-7 0 1 559.33 558.51 13.42 o
-7 -4 0 538.28 561.58 14.34 o
-7 0 -1 1348.90 1348.97 21.58 o
-7 4 0 134.46 131.72 13.47 o
-3 5 0 405.64 394.45 5.97 o
-8 -2 -5 278.51 269.92 6.88 o
-8 2 -5 197.80 190.56 5.75 o
-4 -3 -5 90.36 85.95 1.88 o
-4 3 -5 606.89 602.07 12.41 o
-4 7 -4 536.66 576.72 10.39 o
-5 -1 -10 5.15 2.38 7.24 o
-4 -7 4 839.58 846.68 23.65 o
-8 -6 -4 388.64 416.25 22.68 o
0 -4 5 455.67 401.28 10.22 o
-4 -7 -4 1207.86 1254.77 18.43 o
-5 -5 -9 46.65 46.11 5.20 o
0 -8 -4 89.18 85.95 6.40 o
0 -8 4 194.26 188.23 5.48 o
0 0 -7 2617.06 2534.71 98.62 o
0 -4 6 336.43 342.11 9.04 o
-3 -5 1 452.70 463.95 5.24 o
-3 1 2 664.81 662.13 12.05 o
-3 -1 2 1518.67 1572.35 24.58 o
-4 -3 6 323.01 325.08 7.89 o
-4 3 6 127.62 126.17 6.35 o
-3 -5 -1 1147.22 1173.06 10.61 o
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-3 5 1 68.20 71.06 2.14 o
-3 1 -2 23.13 30.60 1.03 o
-3 -1 -2 74.65 63.96 1.01 o
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-3 5 -1 15.64 19.34 0.84 o
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-4 7 -5 408.76 424.23 17.15 o
-4 -7 5 126.53 133.60 4.21 o
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0 -8 -5 3.74 7.43 7.48 o
-3 -9 0 370.42 367.27 9.14 o
0 -8 5 3.62 17.44 6.88 o
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0 0 -8 1134.79 1033.37 45.78 o
0 -4 7 37.48 39.09 2.81 o
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-3 1 3 677.06 680.46 9.60 o
-4 3 7 440.33 416.32 24.42 o
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-3 5 2 175.33 162.30 4.84 o
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-3 -5 -2 171.75 169.56 4.71 o
-3 1 -3 0.27 -0.46 0.70 o
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-3 -1 -3 2.86 4.79 0.51 o
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-3 5 -2 8.62 12.34 0.96 o
-8 -2 -7 209.75 202.16 5.46 o
-4 3 -7 956.14 969.63 19.53 o
-4 -3 -7 16.52 15.61 1.66 o
-4 -7 6 214.39 201.75 5.99 o
-7 -8 -1 193.04 200.21 11.21 o
-8 -6 -6 4.09 13.25 8.64 o
-4 -7 -6 123.19 109.02 4.76 o
-3 -9 -1 82.46 79.14 2.81 o
-3 -9 1 328.62 329.58 9.00 o
0 -8 6 57.46 63.43 8.42 o
-7 -8 1 1.03 22.37 8.13 o
-3 -5 3 1885.70 1899.81 30.14 o
0 0 -9 55.44 50.88 4.04 o
0 -4 8 470.10 469.89 14.94 o
0 -4 -8 354.34 359.74 14.63 o
-3 -1 4 785.54 786.40 7.99 o
-3 1 4 213.24 213.75 4.19 o
-4 -3 8 2.47 -4.47 4.47 o
-3 5 3 43.38 45.39 1.66 o
-7 0 4 147.80 154.24 6.09 o
-7 -4 3 87.07 73.66 3.99 o
-3 -5 -3 939.97 970.49 13.42 o
-7 -4 -3 14.76 12.46 1.88 o
-3 -1 -4 774.96 712.41 14.51 o
-7 0 -4 1422.80 1366.56 22.30 o
-7 4 -3 358.96 393.66 18.76 o
-3 1 -4 153.85 160.01 1.83 o
-3 5 -3 359.58 347.33 7.34 o
-4 3 -8 914.76 964.46 16.31 o
-4 -3 -8 25.98 27.30 2.41 o
-7 -8 2 160.24 131.41 17.85 o
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-4 -7 -7 370.32 351.47 6.69 o
-3 -9 -2 247.68 247.60 6.74 o
-3 -9 2 57.71 65.24 3.46 o
-3 -5 4 2221.29 2214.59 19.60 o
0 -4 9 2.84 2.43 6.25 o
0 0 -10 320.28 301.36 30.48 o
0 -4 -9 280.28 264.72 11.98 o
-3 -1 5 649.17 671.13 16.12 o
-3 1 5 177.13 173.00 3.78 o
-2 3 0 1634.63 1715.79 18.57 o
-2 -3 0 1708.84 1659.88 14.63 o
-3 5 4 403.06 397.00 8.11 o
-7 0 5 86.85 94.44 5.24 o
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-6 -2 0 477.97 476.58 8.40 o
-6 2 0 866.84 856.59 19.65 o
-3 -5 -4 1924.70 1957.46 30.45 o
-7 -4 -4 448.49 453.43 6.06 o
-7 0 -5 1060.39 1033.78 20.52 o
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-3 1 -5 66.29 61.41 2.02 o
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-3 1 6 206.07 208.51 7.19 o
-3 -5 5 433.31 443.55 9.84 o
-3 5 5 7.00 7.19 2.62 o
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-3 -5 -5 406.72 418.84 4.21 o
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-3 1 -6 17.96 14.79 2.93 o
-3 -1 -6 63.41 66.92 3.80 o
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-4 -3 -10 1.95 1.66 4.86 o
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-2 -7 0 61.77 56.75 1.27 o
-2 7 0 17.24 15.80 2.67 o
-3 -9 -4 558.62 537.36 8.49 o
-6 -6 0 239.90 217.53 4.79 o
-3 -9 4 473.48 463.25 28.00 o
-2 3 2 1136.21 1138.16 19.08 o
-2 -3 2 169.78 162.35 1.49 o
-3 -1 7 523.52 523.12 15.44 o
-3 1 7 97.69 93.65 3.30 o
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-6 2 2 179.40 175.91 6.40 o
-6 -6 1 115.53 110.39 6.95 o
-2 3 -2 6.89 5.60 0.38 o
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-2 -3 -2 76.46 61.48 1.30 o
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-3 -1 -7 162.32 153.88 4.57 o
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-3 -5 -6 124.16 126.96 4.71 o
-2 -7 -1 8.79 8.88 1.06 o
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-6 2 -3 355.79 364.14 9.50 o
-2 -3 -3 1201.62 1130.80 20.59 o
-6 6 -2 263.74 290.37 10.82 o
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-3 -1 -8 469.64 436.33 25.74 o
-3 5 -7 308.40 323.97 10.08 o
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-2 -7 2 251.62 246.97 4.86 o
-2 -7 -2 46.99 50.25 1.40 o
-2 7 -2 0.24 -0.87 1.68 o
-6 -6 -2 348.14 341.29 8.06 o
-2 -7 -3 228.98 215.05 9.26 o
-2 -3 4 1589.20 1640.71 19.39 o
-3 -1 9 47.02 51.96 11.79 o
-2 3 4 627.49 632.28 12.44 o
-1 1 0 4248.83 4054.38 80.94 o
-6 -2 4 120.02 133.29 4.69 o
-1 -1 0 2893.31 2846.24 31.54 o
-6 2 4 198.15 207.62 11.11 o
-6 -6 3 417.90 404.82 25.81 o
-2 7 3 38.13 37.38 3.01 o
-5 0 0 119.62 117.27 1.66 o
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-6 2 -4 725.33 699.85 11.40 o
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-6 6 -3 37.72 45.58 7.24 o
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