#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/26/2202608.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_2202608_Fobs
loop_
_publ_author_name
'Bekaert, Alain'
'Lemoine, Pascale'
'Brion, Jean Daniel'
'Viossat, Bernard'
_publ_section_title
;
 <i>catena</i>-Poly[[dibromozinc(II)]-\m-(<i>R,R</i>)-1,2-diacetamidocyclohexane]
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m574
_journal_page_last               m575
_journal_volume                  59
_journal_year                    2003
_space_group_IT_number           78
_symmetry_space_group_name_Hall  'P 4cw'
_symmetry_space_group_name_H-M   'P 43'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.4960
_cell_length_b                   7.4960
_cell_length_c                   27.9410
_exptl_crystal_F_000             832.00
_reflns_d_resolution_high        0.7113
_[local]_cod_data_source_file    dn6082Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            212.57
_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+1/2'
'-y, x, z+3/4'
'y, -x, z+1/4'
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
0 1 0 16891.38 15883.32 187.17 o
1 1 0 23345.08 22497.55 411.75 o
-1 2 0 5.47 -12.21 24.12 o
0 2 0 12562.51 12875.20 111.39 o
1 2 0 1086.84 1091.83 69.79 o
2 2 0 8322.59 8362.78 81.16 o
-2 3 0 5679.83 5913.98 79.72 o
-1 3 0 3.45 -25.07 28.37 o
0 3 0 5362.99 5925.57 60.15 o
1 3 0 437.86 353.51 40.97 o
2 3 0 4496.86 4494.50 137.87 o
3 3 0 190.11 214.56 10.51 o
-3 4 0 1166.84 1280.97 39.77 o
-2 4 0 12.85 -4.04 38.53 o
-1 4 0 1824.96 1808.02 56.87 o
0 4 0 501.13 476.02 18.02 o
1 4 0 3421.76 3264.20 103.59 o
2 4 0 1122.15 1198.66 80.04 o
3 4 0 7211.34 7045.04 104.45 o
4 4 0 4514.81 4672.79 98.52 o
-4 5 0 0.39 32.56 56.95 o
-3 5 0 34.21 26.70 19.34 o
-2 5 0 568.43 603.59 27.12 o
-1 5 0 857.49 925.34 55.15 o
0 5 0 116.53 117.66 22.12 o
1 5 0 12.75 42.60 43.10 o
2 5 0 2472.64 2423.83 69.76 o
3 5 0 2055.55 1932.14 70.25 o
4 5 0 539.98 563.03 24.13 o
5 5 0 44.80 94.57 23.15 o
-5 6 0 121.69 159.08 36.47 o
-4 6 0 68.95 35.96 79.36 o
-3 6 0 451.06 523.45 30.99 o
-2 6 0 283.83 284.63 18.94 o
-1 6 0 192.81 221.95 16.99 o
0 6 0 517.74 560.90 19.03 o
1 6 0 5071.03 5010.00 197.34 o
2 6 0 3836.24 3862.07 93.42 o
3 6 0 53.09 -19.26 55.31 o
4 6 0 134.26 56.76 61.14 o
5 6 0 185.88 15.49 69.90 o
6 6 0 254.93 230.07 36.92 o
-6 7 0 1.43 29.56 46.54 o
-5 7 0 72.13 90.87 30.22 o
-4 7 0 172.76 158.17 22.20 o
-3 7 0 127.89 131.47 26.97 o
-2 7 0 41.59 -62.51 65.56 o
-1 7 0 626.98 658.30 24.17 o
0 7 0 68.25 -2.85 50.46 o
1 7 0 1981.13 2007.95 70.08 o
2 7 0 2063.29 1992.17 83.69 o
3 7 0 195.52 211.00 18.76 o
4 7 0 130.98 134.96 93.31 o
5 7 0 292.95 307.55 23.45 o
6 7 0 24.42 -74.68 81.37 o
7 7 0 1.34 47.75 83.58 o
-6 8 0 86.45 56.53 107.00 o
-5 8 0 433.86 453.94 28.68 o
-4 8 0 310.34 308.71 33.66 o
-3 8 0 49.45 64.50 75.11 o
-2 8 0 67.29 95.00 31.00 o
-1 8 0 0.45 -54.24 72.17 o
0 8 0 92.19 79.45 19.96 o
1 8 0 21.69 43.82 69.59 o
2 8 0 30.23 -15.39 72.46 o
3 8 0 473.91 522.03 26.49 o
4 8 0 603.70 666.82 49.78 o
5 8 0 185.70 193.91 47.78 o
6 8 0 0.24 38.38 88.47 o
-5 9 0 83.70 109.65 28.99 o
-4 9 0 238.07 244.49 27.83 o
-3 9 0 429.35 436.10 33.56 o
-2 9 0 98.10 140.55 83.35 o
-1 9 0 15.53 17.88 109.42 o
0 9 0 17.54 -61.72 96.24 o
1 9 0 29.15 83.31 32.52 o
2 9 0 6.13 73.34 80.54 o
3 9 0 73.80 107.18 30.33 o
4 9 0 370.88 342.55 26.98 o
5 9 0 5.31 -42.72 90.33 o
-3 10 0 139.33 130.36 40.00 o
-2 10 0 276.23 343.56 102.39 o
-1 10 0 93.84 158.39 41.77 o
0 10 0 1.29 -26.68 58.80 o
1 10 0 12.88 -43.63 98.65 o
2 10 0 44.37 52.06 43.85 o
3 10 0 27.61 4.78 40.08 o
0 1 1 12280.48 11944.14 254.44 o
1 1 1 1972.47 2202.87 33.14 o
-1 2 1 15367.99 15812.49 170.45 o
0 2 1 39532.50 35195.10 902.22 o
1 2 1 3200.52 3515.86 47.82 o
2 2 1 8019.44 8381.88 101.60 o
-2 3 1 2902.21 3012.67 60.71 o
-1 3 1 2669.17 2883.72 55.39 o
0 3 1 5503.50 5764.54 59.61 o
1 3 1 3329.94 3252.00 131.30 o
2 3 1 5715.23 6230.54 342.11 o
3 3 1 1739.38 1780.95 55.92 o
-3 4 1 224.84 226.22 12.39 o
-2 4 1 4107.86 4173.77 79.06 o
-1 4 1 3734.13 3791.93 72.54 o
0 4 1 480.81 550.93 40.86 o
1 4 1 7416.40 7504.46 159.84 o
2 4 1 13548.12 13043.26 232.39 o
3 4 1 1908.36 2021.26 63.71 o
4 4 1 473.25 509.39 18.69 o
-4 5 1 2252.77 2173.64 81.85 o
-3 5 1 142.36 81.33 26.04 o
-2 5 1 1637.32 1686.72 84.84 o
-1 5 1 144.88 169.77 14.53 o
0 5 1 395.37 414.67 17.16 o
1 5 1 2715.63 2958.69 147.40 o
2 5 1 4401.99 4290.96 244.52 o
3 5 1 576.87 572.18 20.97 o
4 5 1 295.16 303.92 16.85 o
5 5 1 1482.18 1465.33 104.38 o
-5 6 1 876.14 901.78 39.39 o
-4 6 1 2198.73 2218.82 103.68 o
-3 6 1 383.66 353.27 18.60 o
-2 6 1 542.64 610.22 24.08 o
-1 6 1 2568.30 2698.88 159.85 o
0 6 1 1980.43 2002.61 72.06 o
1 6 1 85.79 17.93 53.73 o
2 6 1 362.55 329.12 16.45 o
3 6 1 283.51 302.17 16.80 o
4 6 1 376.85 411.47 45.00 o
5 6 1 114.42 90.96 22.25 o
6 6 1 34.03 71.88 30.86 o
-6 7 1 40.20 29.97 82.21 o
-5 7 1 31.32 7.24 85.59 o
-4 7 1 108.85 153.33 83.12 o
-3 7 1 244.34 247.57 19.83 o
-2 7 1 509.35 535.13 23.87 o
-1 7 1 604.51 536.08 24.46 o
0 7 1 368.99 329.85 15.44 o
1 7 1 619.97 613.05 47.60 o
2 7 1 399.76 376.09 19.01 o
3 7 1 226.39 219.63 18.57 o
4 7 1 115.16 126.43 27.24 o
5 7 1 9.89 -22.36 73.78 o
6 7 1 30.46 -54.04 80.25 o
7 7 1 94.36 89.23 87.02 o
-6 8 1 119.25 152.15 48.26 o
-5 8 1 25.41 55.14 79.15 o
-4 8 1 150.14 153.56 24.68 o
-3 8 1 391.89 412.37 24.52 o
-2 8 1 245.68 274.99 23.21 o
-1 8 1 59.74 2.45 86.67 o
0 8 1 86.82 73.93 26.37 o
1 8 1 414.84 427.31 23.34 o
2 8 1 419.00 390.70 42.83 o
3 8 1 49.28 50.85 30.85 o
4 8 1 2.81 32.90 32.59 o
5 8 1 184.53 237.95 25.18 o
6 8 1 88.70 159.56 37.62 o
-5 9 1 45.41 -4.87 153.25 o
-4 9 1 29.08 38.75 89.89 o
-3 9 1 125.81 130.66 37.59 o
-2 9 1 200.07 160.33 65.06 o
-1 9 1 95.25 -52.11 112.93 o
0 9 1 66.01 31.56 67.83 o
1 9 1 180.35 175.97 78.91 o
2 9 1 143.56 30.95 169.12 o
3 9 1 91.85 22.82 81.25 o
4 9 1 84.40 69.35 82.87 o
5 9 1 64.72 111.71 38.97 o
-3 10 1 6.92 113.10 100.13 o
-2 10 1 7.95 86.39 99.59 o
-1 10 1 117.11 135.06 48.04 o
0 10 1 203.21 188.61 24.37 o
1 10 1 61.10 5.37 94.39 o
2 10 1 27.96 9.88 115.30 o
3 10 1 62.00 66.77 89.65 o
0 1 2 2421.33 2433.86 30.12 o
1 1 2 1568.82 1742.95 30.81 o
-1 2 2 253.46 281.25 12.67 o
0 2 2 1590.82 1696.56 30.42 o
1 2 2 15504.09 16128.49 335.95 o
2 2 2 5366.44 5927.99 70.73 o
-2 3 2 2455.99 2490.29 123.68 o
-1 3 2 5077.11 5490.51 72.23 o
0 3 2 8282.10 8349.98 87.26 o
1 3 2 457.67 506.09 22.41 o
2 3 2 5012.26 5293.56 76.36 o
3 3 2 437.54 506.11 50.94 o
-3 4 2 1000.59 1096.89 39.45 o
-2 4 2 1716.20 1735.70 58.73 o
-1 4 2 5833.17 6091.11 88.76 o
0 4 2 16794.13 16129.42 201.56 o
1 4 2 3808.82 3893.60 110.83 o
2 4 2 106.76 126.90 10.75 o
3 4 2 1057.04 1016.05 44.93 o
4 4 2 2662.72 2646.63 78.71 o
-4 5 2 1818.39 1845.22 56.13 o
-3 5 2 2620.76 2562.10 82.19 o
-2 5 2 3607.93 3622.91 85.97 o
-1 5 2 1648.73 1753.59 85.10 o
0 5 2 1194.87 1194.29 56.45 o
1 5 2 1288.44 1223.40 41.06 o
2 5 2 2804.29 2809.20 74.47 o
3 5 2 494.63 472.31 18.58 o
4 5 2 3224.97 3230.57 91.40 o
5 5 2 144.68 152.36 30.71 o
-5 6 2 323.45 301.02 22.94 o
-4 6 2 63.49 79.56 25.25 o
-3 6 2 3300.57 3462.72 98.58 o
-2 6 2 6499.32 6219.28 147.60 o
-1 6 2 848.34 869.37 78.21 o
0 6 2 597.91 613.63 23.15 o
1 6 2 281.26 273.73 16.23 o
2 6 2 132.81 155.60 48.21 o
3 6 2 14.41 41.58 55.10 o
4 6 2 4.33 -20.77 58.31 o
5 6 2 356.87 381.44 20.89 o
6 6 2 159.09 200.71 35.92 o
-6 7 2 30.76 -6.66 102.33 o
-5 7 2 37.23 9.12 105.53 o
-4 7 2 62.97 78.87 74.08 o
-3 7 2 258.36 232.92 25.50 o
-2 7 2 698.71 689.34 27.41 o
-1 7 2 385.76 391.59 28.40 o
0 7 2 225.07 239.75 15.01 o
1 7 2 47.10 25.70 23.51 o
2 7 2 31.51 43.24 21.80 o
3 7 2 98.20 57.70 63.64 o
4 7 2 259.37 203.31 27.73 o
5 7 2 365.26 393.14 23.93 o
6 7 2 65.37 40.56 80.64 o
7 7 2 13.60 -51.91 88.27 o
-6 8 2 50.17 -52.29 93.22 o
-5 8 2 0.67 74.39 83.97 o
-4 8 2 27.78 100.59 32.38 o
-3 8 2 25.79 -78.73 163.41 o
-2 8 2 329.81 306.71 24.33 o
-1 8 2 88.71 105.10 22.21 o
0 8 2 189.29 208.97 48.83 o
1 8 2 221.59 241.31 22.06 o
2 8 2 39.42 36.70 31.06 o
3 8 2 24.33 21.16 110.38 o
4 8 2 24.21 -55.58 76.66 o
5 8 2 46.23 36.57 32.13 o
6 8 2 22.19 41.46 88.57 o
-5 9 2 17.24 54.08 94.94 o
-4 9 2 2.64 -19.93 168.46 o
-3 9 2 4.00 80.59 35.86 o
-2 9 2 30.75 51.71 39.25 o
-1 9 2 39.64 14.46 34.46 o
0 9 2 10.72 -13.79 23.65 o
1 9 2 89.57 65.13 84.29 o
2 9 2 30.29 43.85 78.46 o
3 9 2 24.53 12.96 80.95 o
4 9 2 10.07 17.01 124.82 o
5 9 2 12.36 89.44 34.97 o
-3 10 2 1.08 -80.62 99.55 o
-2 10 2 7.96 2.28 97.37 o
-1 10 2 17.91 -10.42 71.28 o
0 10 2 118.93 197.88 68.31 o
1 10 2 273.96 273.83 91.84 o
2 10 2 120.93 124.26 54.32 o
3 10 2 3.31 -7.87 113.86 o
0 1 3 7925.95 7771.21 135.90 o
1 1 3 5497.14 5645.21 58.69 o
-1 2 3 17885.50 17924.31 485.39 o
0 2 3 13388.28 13240.32 232.93 o
1 2 3 2070.78 2230.11 43.60 o
2 2 3 1467.84 1468.34 41.90 o
-2 3 3 3286.96 3391.28 100.31 o
-1 3 3 3067.46 3315.36 120.60 o
0 3 3 2080.89 2197.74 43.81 o
1 3 3 358.13 402.48 18.08 o
2 3 3 2637.27 2427.42 57.92 o
3 3 3 5492.78 5553.84 94.66 o
-3 4 3 489.36 479.82 21.23 o
-2 4 3 1682.32 1713.42 59.96 o
-1 4 3 120.22 121.53 10.70 o
0 4 3 1036.78 1039.54 37.12 o
1 4 3 3133.16 3074.85 106.38 o
2 4 3 9179.18 8901.83 302.47 o
3 4 3 3408.11 3699.25 80.97 o
4 4 3 139.94 145.66 38.29 o
-4 5 3 1499.90 1510.17 54.63 o
-3 5 3 238.07 253.23 15.94 o
-2 5 3 7.61 -0.93 51.86 o
-1 5 3 611.88 626.80 28.87 o
0 5 3 989.83 1007.41 33.81 o
1 5 3 2644.19 2679.92 70.44 o
2 5 3 3080.00 3286.76 78.28 o
3 5 3 164.14 152.44 35.86 o
4 5 3 97.29 134.08 16.61 o
5 5 3 567.17 571.51 27.21 o
-5 6 3 884.40 966.70 36.00 o
-4 6 3 877.47 918.72 39.28 o
-3 6 3 818.91 807.90 32.93 o
-2 6 3 78.40 17.45 60.71 o
-1 6 3 1494.47 1470.30 141.74 o
0 6 3 2120.23 2183.88 65.31 o
1 6 3 1252.50 1220.45 48.20 o
2 6 3 829.84 863.63 36.36 o
3 6 3 898.58 797.60 78.67 o
4 6 3 62.62 51.84 62.63 o
5 6 3 203.75 253.96 39.50 o
6 6 3 121.57 25.35 174.95 o
-6 7 3 138.63 183.49 24.96 o
-5 7 3 143.63 120.95 23.59 o
-4 7 3 46.21 44.28 28.61 o
-3 7 3 249.02 205.30 19.94 o
-2 7 3 224.28 219.42 19.26 o
-1 7 3 45.42 -9.84 63.88 o
0 7 3 755.91 737.47 26.36 o
1 7 3 1781.10 1773.89 59.86 o
2 7 3 1133.21 1075.79 46.53 o
3 7 3 168.61 158.10 25.51 o
4 7 3 455.53 458.57 31.25 o
5 7 3 24.42 44.79 29.89 o
6 7 3 0.29 43.22 81.01 o
7 7 3 135.62 159.32 53.65 o
-6 8 3 139.56 19.09 96.82 o
-5 8 3 66.76 91.27 168.88 o
-4 8 3 52.04 80.19 77.82 o
-3 8 3 237.19 197.36 36.86 o
-2 8 3 273.60 272.57 23.91 o
-1 8 3 257.07 295.47 23.26 o
0 8 3 648.82 644.76 29.02 o
1 8 3 719.80 706.67 29.65 o
2 8 3 205.17 190.37 21.55 o
3 8 3 95.43 59.09 35.61 o
4 8 3 91.53 -24.23 107.77 o
5 8 3 87.25 138.06 34.90 o
6 8 3 35.91 -46.54 92.40 o
-5 9 3 77.63 36.01 41.09 o
-4 9 3 31.02 43.55 91.42 o
-3 9 3 150.86 104.45 102.30 o
-2 9 3 218.56 248.53 26.59 o
-1 9 3 148.17 174.25 46.88 o
0 9 3 153.42 175.68 24.58 o
1 9 3 73.30 53.00 80.25 o
2 9 3 19.94 -53.14 80.28 o
3 9 3 13.67 22.13 77.37 o
4 9 3 51.96 34.90 59.73 o
5 9 3 87.12 -11.52 91.85 o
-3 10 3 29.47 95.33 98.33 o
-2 10 3 25.22 -31.96 98.89 o
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1 10 3 3.25 25.19 110.40 o
2 10 3 42.03 87.40 91.91 o
3 10 3 101.76 36.48 89.55 o
0 0 4 31361.67 25512.75 472.83 o
0 1 4 32546.87 26273.58 2467.97 o
1 1 4 1719.99 1782.52 33.16 o
-1 2 4 9837.89 9822.32 81.73 o
0 2 4 1051.37 1021.70 34.87 o
1 2 4 1503.53 1606.64 38.82 o
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-1 3 4 9738.55 10109.15 197.31 o
0 3 4 1814.13 1888.26 38.36 o
1 3 4 3470.11 3616.69 95.68 o
2 3 4 4653.41 4894.38 87.38 o
3 3 4 1366.05 1541.52 121.29 o
-3 4 4 296.66 308.69 14.04 o
-2 4 4 502.09 643.97 89.41 o
-1 4 4 1139.12 1156.80 41.20 o
0 4 4 245.88 260.34 9.75 o
1 4 4 2333.68 2252.73 56.76 o
2 4 4 2329.48 2306.15 102.03 o
3 4 4 6344.37 6246.13 100.73 o
4 4 4 833.88 865.02 34.40 o
-4 5 4 920.00 944.59 100.73 o
-3 5 4 452.63 422.22 18.72 o
-2 5 4 1165.46 1190.65 43.98 o
-1 5 4 6290.72 6440.53 159.81 o
0 5 4 722.80 726.56 24.22 o
1 5 4 533.45 549.33 19.89 o
2 5 4 1116.30 1132.73 41.67 o
3 5 4 1053.35 981.35 44.61 o
4 5 4 347.84 345.13 17.36 o
5 5 4 220.15 233.47 18.31 o
-5 6 4 223.78 220.38 54.89 o
-4 6 4 16.56 55.11 61.41 o
-3 6 4 154.12 166.74 17.40 o
-2 6 4 306.27 278.11 18.74 o
-1 6 4 415.62 379.13 17.81 o
0 6 4 523.88 520.39 18.73 o
1 6 4 3252.00 3176.44 111.11 o
2 6 4 1922.73 1897.13 72.67 o
3 6 4 15.45 21.30 54.21 o
4 6 4 396.02 384.43 18.96 o
5 6 4 925.85 881.48 35.02 o
6 6 4 265.68 232.88 23.48 o
-6 7 4 24.95 17.24 120.86 o
-5 7 4 122.95 92.29 31.85 o
-4 7 4 2.57 -14.98 100.94 o
-3 7 4 16.50 -8.09 96.88 o
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-1 7 4 766.25 795.03 65.18 o
0 7 4 22.86 37.01 17.33 o
1 7 4 1561.38 1535.39 55.89 o
2 7 4 1132.34 1087.53 46.35 o
3 7 4 786.70 715.99 49.26 o
4 7 4 440.93 494.64 22.60 o
5 7 4 277.72 293.18 30.38 o
6 7 4 13.25 -20.71 98.08 o
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3 8 4 322.73 339.79 26.78 o
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-4 9 4 251.39 244.84 64.34 o
-3 9 4 444.92 476.49 28.18 o
-2 9 4 167.56 9.15 88.68 o
-1 9 4 9.37 105.35 81.39 o
0 9 4 78.33 79.80 34.22 o
1 9 4 57.15 -29.55 103.07 o
2 9 4 7.47 66.77 77.22 o
3 9 4 122.88 157.86 102.60 o
4 9 4 59.46 -87.16 87.16 o
5 9 4 5.88 93.55 87.69 o
-3 10 4 157.65 89.98 100.52 o
-2 10 4 160.75 155.49 30.14 o
-1 10 4 28.04 90.23 59.36 o
0 10 4 2.23 56.14 78.16 o
1 10 4 8.34 24.90 91.84 o
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3 10 4 2.11 -43.38 120.41 o
0 1 5 183.45 179.69 6.66 o
1 1 5 7732.57 7586.10 216.41 o
-1 2 5 4293.82 4516.91 119.19 o
0 2 5 9555.25 9360.06 115.34 o
1 2 5 1158.06 1136.18 36.13 o
2 2 5 55.90 30.11 27.64 o
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0 3 5 15088.41 14933.62 166.28 o
1 3 5 18781.31 18816.02 314.00 o
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