#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/64/2206401.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_2206401_Fobs
loop_
_publ_author_name
'Prior, Timothy J.'
_publ_section_title
;
 A synchrotron study of mercury(I) acetate
;
_journal_coeditor_code           CV6547
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1523
_journal_page_last               m1524
_journal_volume                  61
_journal_year                    2005
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 99.779
_cell_angle_gamma                90.000
_cell_length_a                   5.1330
_cell_length_b                   5.8660
_cell_length_c                   12.2020
_exptl_crystal_F_000             443.81
_reflns_d_resolution_high        0.7890
_[local]_cod_data_source_file    cv6547Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' HgAc in C2/m                     C2/m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            295.52
_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'
'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 57.24 77.55 20.49 o
4 0 0 34795.24 36561.25 1716.77 o
6 0 0 2468.55 2331.37 181.95 o
3 1 0 9028.20 8697.63 266.04 o
5 1 0 21280.50 20798.69 838.80 o
2 2 0 203.13 209.12 20.91 o
4 2 0 29631.14 30953.79 1052.66 o
6 2 0 2312.75 2061.07 132.89 o
1 3 0 22453.18 17863.55 1085.54 o
3 3 0 7794.19 7996.40 281.08 o
5 3 0 16126.57 14142.00 559.06 o
0 4 0 54268.13 58154.89 3661.30 o
2 4 0 278.15 270.26 21.93 o
4 4 0 18943.29 18755.98 735.40 o
1 5 0 12586.35 12097.16 496.33 o
3 5 0 5227.39 5129.57 191.21 o
0 6 0 24480.67 23735.30 1681.56 o
2 6 0 186.38 164.88 28.54 o
1 7 0 5902.19 4639.54 212.65 o
-6 0 1 11144.03 12783.16 833.92 o
-4 0 1 13987.69 14830.36 714.06 o
2 0 1 15947.08 18990.48 949.14 o
4 0 1 37638.56 39601.78 1857.25 o
6 0 1 1199.14 1171.48 97.83 o
-5 1 1 25544.11 26828.47 1017.35 o
-3 1 1 28.04 52.78 16.69 o
1 1 1 6116.25 7339.89 249.50 o
3 1 1 37173.71 39124.54 1320.73 o
5 1 1 4254.63 4413.13 232.86 o
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-2 2 1 30948.67 28731.23 1780.47 o
2 2 1 13017.94 14492.88 433.16 o
4 2 1 32279.99 31571.38 1069.96 o
6 2 1 1007.48 934.76 78.94 o
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-1 3 1 47679.70 39145.13 2448.33 o
1 3 1 3087.07 3401.40 122.09 o
3 3 1 27149.81 30255.31 1025.40 o
5 3 1 3169.91 3156.48 175.47 o
-4 4 1 7397.34 7332.95 300.40 o
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0 4 1 24875.01 27390.74 944.64 o
2 4 1 7508.22 8233.69 289.64 o
4 4 1 21657.30 22101.91 759.72 o
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-1 5 1 25134.68 23961.83 967.24 o
1 5 1 1657.23 1572.66 87.85 o
3 5 1 16051.63 16450.61 570.44 o
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0 6 1 11598.38 10502.21 438.63 o
2 6 1 3723.47 3464.13 286.06 o
-1 7 1 11574.00 8984.72 475.81 o
1 7 1 862.45 701.86 56.22 o
-4 0 2 82.57 113.77 46.93 o
0 0 2 941.92 629.59 59.93 o
4 0 2 7684.46 7783.84 388.40 o
6 0 2 9452.91 7802.75 656.31 o
-5 1 2 7687.67 8538.34 339.34 o
-3 1 2 11767.71 10945.76 303.26 o
1 1 2 6086.13 6143.02 256.26 o
3 1 2 46327.71 52758.34 2105.47 o
5 1 2 88.16 137.29 45.46 o
-6 2 2 16571.60 16653.85 1075.07 o
-4 2 2 81.34 79.56 13.14 o
0 2 2 1243.91 1186.14 41.33 o
2 2 2 45925.12 52903.00 3695.24 o
4 2 2 6946.87 6811.40 248.40 o
-5 3 2 6405.22 6252.15 262.36 o
-3 3 2 9667.66 9452.44 316.62 o
-1 3 2 44631.36 41270.72 2592.01 o
1 3 2 4568.38 4679.82 179.68 o
3 3 2 32664.56 39093.20 1324.35 o
5 3 2 81.38 89.11 45.34 o
-4 4 2 57.67 44.24 16.70 o
-2 4 2 33636.75 29689.75 3617.26 o
0 4 2 1458.48 1469.76 56.31 o
2 4 2 27089.59 28820.49 975.93 o
4 4 2 5053.65 5372.29 204.96 o
-3 5 2 6110.92 6077.30 253.55 o
-1 5 2 23142.17 22279.51 897.51 o
1 5 2 3123.13 3302.01 129.40 o
3 5 2 17771.14 19430.26 674.68 o
-2 6 2 15590.19 14607.74 736.32 o
0 6 2 969.87 956.64 60.88 o
2 6 2 13839.69 13275.48 555.18 o
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1 7 2 1642.95 1615.93 95.31 o
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0 0 3 7467.18 7393.86 288.97 o
4 0 3 1135.52 1353.86 91.70 o
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-1 1 3 7838.63 7174.98 214.72 o
1 1 3 40352.90 29715.14 1727.04 o
3 1 3 24233.63 25930.74 773.95 o
5 1 3 9896.14 10475.24 439.07 o
-4 2 3 8135.39 7577.48 370.89 o
-2 2 3 42528.82 30375.62 2103.93 o
0 2 3 5691.46 6061.39 210.13 o
2 2 3 49913.24 49687.79 6689.05 o
4 2 3 875.26 964.82 52.15 o
-5 3 3 212.20 246.46 35.86 o
-3 3 3 33312.04 31362.71 1209.00 o
-1 3 3 5923.95 5938.58 168.29 o
1 3 3 30416.51 34109.21 1869.27 o
3 3 3 16557.31 19480.93 672.15 o
5 3 3 7688.21 8344.74 370.79 o
-4 4 3 5308.70 5082.70 215.60 o
-2 4 3 24488.23 24722.04 1144.23 o
0 4 3 2976.03 3040.72 104.51 o
2 4 3 30234.13 35668.64 1209.33 o
4 4 3 491.80 597.78 50.74 o
-3 5 3 19839.77 20451.79 1015.28 o
-1 5 3 3112.03 2991.16 117.92 o
1 5 3 17252.95 18209.31 628.72 o
3 5 3 9468.58 10385.19 376.38 o
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0 6 3 1324.85 1093.99 67.36 o
2 6 3 15413.26 15729.60 554.65 o
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-1 1 4 2482.00 2235.81 72.63 o
1 1 4 87332.34 72200.84 4891.61 o
3 1 4 15.44 24.72 7.93 o
5 1 4 24167.97 23904.13 949.37 o
-4 2 4 26738.45 25238.97 833.47 o
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0 2 4 35601.42 31602.40 2170.72 o
2 2 4 16496.46 18455.50 630.73 o
4 2 4 7406.01 8394.66 353.31 o
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1 3 4 53309.23 64881.20 9081.06 o
3 3 4 20.23 29.63 14.36 o
5 3 4 18755.95 19829.67 806.46 o
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0 4 4 20909.63 22011.47 754.43 o
2 4 4 11221.94 13042.01 455.54 o
4 4 4 5299.46 6028.86 258.15 o
-3 5 4 15521.88 14433.54 729.65 o
-1 5 4 1424.94 1456.24 75.91 o
1 5 4 27295.39 27850.79 952.01 o
3 5 4 13.77 3.15 18.91 o
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0 6 4 10639.95 10213.75 527.74 o
2 6 4 5966.40 6450.13 281.35 o
-1 7 4 778.56 590.60 99.64 o
1 7 4 12789.54 11459.72 831.75 o
-6 0 5 2616.53 2101.77 161.73 o
-4 0 5 36175.55 35239.94 1623.38 o
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2 0 5 920.53 899.36 46.36 o
4 0 5 22305.88 22027.68 1046.39 o
-5 1 5 14420.37 13994.05 531.34 o
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1 1 5 42503.34 36041.24 2257.72 o
3 1 5 14950.71 14716.12 643.52 o
5 1 5 19028.61 18226.65 735.85 o
-6 2 5 2289.57 3211.49 256.31 o
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0 2 5 52578.48 47488.71 1826.84 o
2 2 5 754.81 841.21 42.50 o
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1 5 5 13892.76 14222.70 501.06 o
3 5 5 6644.46 7284.31 278.56 o
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-2 0 6 20881.80 20237.88 939.15 o
0 0 6 43270.84 40828.14 1570.53 o
2 0 6 8545.17 8889.14 354.14 o
4 0 6 26210.14 27123.69 1947.26 o
-5 1 6 20312.78 19768.22 746.53 o
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-1 1 6 63052.54 61081.25 3282.97 o
1 1 6 583.68 528.12 23.54 o
3 1 6 27919.68 28374.22 1114.31 o
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0 2 6 34710.05 31489.69 951.32 o
2 2 6 7200.57 8432.14 297.91 o
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0 2 8 5091.88 4204.64 288.98 o
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