#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2012993.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_2012993_Fobs
loop_
_publ_author_name
'Holmes, Brian T.'
'Padgett, Clifford W.'
'Pennington, William T.'
_publ_section_title
;
 2,6-Diiodopyridine
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o602
_journal_page_last               o603
_journal_volume                  58
_journal_year                    2002
_space_group_IT_number           42
_symmetry_space_group_name_Hall  'F 2 -2'
_symmetry_space_group_name_H-M   'F m m 2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.8039
_cell_length_b                   17.0113
_cell_length_c                   6.1959
_exptl_crystal_F_000             584.00
_reflns_d_resolution_high        0.8009
_[local]_cod_data_source_file    ln1141Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' cd0879a in Fmm2'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            452.02
_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, -y, z'
'-x, y, z'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x, -y+1/2, z+1/2'
'-x, y+1/2, z+1/2'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y, z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, 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
1 1 -7 1262.60 1377.60 51.95 o
3 1 -7 847.20 830.32 58.54 o
1 3 -7 8233.52 8819.72 272.44 o
3 3 -7 5787.18 5565.97 248.05 o
1 5 -7 1721.77 1630.65 108.85 o
3 5 -7 1159.66 1095.11 117.73 o
1 7 -7 283.57 277.93 44.99 o
0 0 -6 15204.70 16149.94 529.56 o
2 0 -6 12562.52 13085.75 566.24 o
4 0 -6 7221.24 6918.61 191.04 o
0 2 -6 4328.34 4389.90 153.96 o
2 2 -6 3537.70 3655.98 125.63 o
4 2 -6 1962.02 2070.52 74.80 o
0 4 -6 2174.34 2098.89 94.27 o
2 4 -6 1779.20 1720.59 66.46 o
4 4 -6 990.31 972.39 92.92 o
0 6 -6 12723.30 13123.66 587.78 o
2 6 -6 10508.59 10465.19 264.26 o
4 6 -6 6012.23 5294.47 339.77 o
0 8 -6 5042.20 5671.65 410.16 o
2 8 -6 4179.19 4213.32 129.26 o
4 8 -6 2415.06 2295.63 151.66 o
0 10 -6 742.11 615.87 76.25 o
2 10 -6 618.52 597.85 78.70 o
2 12 -6 5916.30 5971.51 164.57 o
1 1 -5 7019.24 7229.02 202.60 o
3 1 -5 4675.08 4833.68 119.97 o
5 1 -5 2165.18 2173.22 159.20 o
1 3 -5 25524.27 26826.73 464.61 o
3 3 -5 17072.12 17172.56 525.63 o
5 3 -5 7974.27 7631.90 203.66 o
1 5 -5 5381.22 5353.35 156.78 o
3 5 -5 3503.67 3350.52 100.21 o
5 5 -5 1505.22 1501.82 92.49 o
1 7 -5 499.31 468.08 40.88 o
3 7 -5 301.60 316.61 52.76 o
5 7 -5 104.18 134.72 22.36 o
1 9 -5 21737.15 23035.73 369.27 o
3 9 -5 14975.36 15558.15 337.31 o
5 9 -5 7390.06 6717.67 119.20 o
1 11 -5 6832.61 6669.17 182.86 o
3 11 -5 4614.34 4396.46 95.68 o
1 13 -5 583.39 610.33 42.91 o
3 13 -5 403.54 368.39 30.74 o
1 15 -5 7142.59 6326.20 930.08 o
0 0 -4 42795.47 43269.00 2357.89 o
2 0 -4 34245.20 33936.97 775.24 o
4 0 -4 18210.96 17616.39 1633.51 o
6 0 -4 6858.30 6932.89 511.13 o
0 2 -4 13978.38 14345.51 217.86 o
2 2 -4 11115.53 11236.40 340.09 o
4 2 -4 5825.48 6051.43 193.35 o
6 2 -4 2140.99 2121.07 109.17 o
0 4 -4 6001.13 5893.43 145.28 o
2 4 -4 4774.89 4493.88 92.29 o
4 4 -4 2474.66 2444.09 93.03 o
6 4 -4 878.76 707.45 76.67 o
0 6 -4 43426.48 43877.97 978.02 o
2 6 -4 35113.43 35282.20 1232.64 o
4 6 -4 19263.54 21135.59 384.35 o
6 6 -4 7678.58 7658.66 234.20 o
0 8 -4 11458.30 10979.92 364.49 o
2 8 -4 9267.07 9205.99 211.06 o
4 8 -4 4982.74 5410.53 203.74 o
6 8 -4 1859.11 1914.74 100.59 o
0 10 -4 1522.62 1341.42 55.87 o
2 10 -4 1235.78 1294.55 50.61 o
4 10 -4 675.18 647.24 36.60 o
6 10 -4 263.45 254.22 76.67 o
0 12 -4 19664.24 19572.81 370.36 o
2 12 -4 16198.43 16348.56 345.05 o
4 12 -4 9216.13 9454.35 297.54 o
0 14 -4 11557.74 11757.60 231.26 o
2 14 -4 9542.88 9701.48 342.94 o
4 14 -4 5451.58 5381.74 192.18 o
0 16 -4 176.72 147.47 48.60 o
2 16 -4 146.13 126.50 19.59 o
1 1 -3 11431.67 10492.84 210.44 o
3 1 -3 7101.00 7505.91 217.28 o
5 1 -3 2906.49 2427.51 125.19 o
7 1 -3 802.48 877.32 60.08 o
1 3 -3 67919.48 64380.80 913.55 o
3 3 -3 42361.91 46659.52 936.05 o
5 3 -3 18426.40 17422.30 1188.58 o
7 3 -3 5992.30 6219.77 152.12 o
1 5 -3 22155.96 21159.82 627.36 o
3 5 -3 13847.11 14732.47 474.44 o
5 5 -3 5893.73 5989.06 199.05 o
7 5 -3 1820.11 1739.64 96.75 o
1 7 -3 6421.14 6313.80 213.12 o
3 7 -3 4108.02 4092.36 129.65 o
5 7 -3 1816.30 1923.61 80.84 o
7 7 -3 593.11 468.88 147.89 o
1 9 -3 37534.71 37194.59 882.82 o
3 9 -3 24551.08 26406.79 336.09 o
5 9 -3 11007.44 11566.97 237.17 o
1 11 -3 18270.57 17786.33 370.95 o
3 11 -3 12052.46 12371.37 198.24 o
5 11 -3 5461.75 5510.03 133.91 o
1 13 -3 613.38 656.46 42.93 o
3 13 -3 388.90 400.09 24.09 o
5 13 -3 159.80 147.49 35.02 o
1 15 -3 20381.20 20969.81 368.50 o
3 15 -3 14086.83 14673.58 192.82 o
5 15 -3 6959.47 6367.17 190.22 o
1 17 -3 9402.04 9563.22 248.18 o
3 17 -3 6400.43 6422.76 123.19 o
1 19 -3 12.84 57.30 21.82 o
0 0 -2 127088.69 117081.62 8097.59 o
2 0 -2 91755.41 89953.34 2138.35 o
4 0 -2 42577.99 46905.54 3168.99 o
6 0 -2 14849.55 16838.71 333.49 o
0 2 -2 24592.75 23195.01 943.46 o
2 2 -2 18477.87 19604.24 507.62 o
4 2 -2 9025.19 9910.18 255.13 o
6 2 -2 3107.39 3324.79 131.74 o
0 4 -2 11407.26 10113.11 146.55 o
2 4 -2 8670.14 8999.02 225.68 o
4 4 -2 4214.92 4292.17 147.27 o
6 4 -2 1390.68 1503.24 61.93 o
8 4 -2 312.36 346.64 119.40 o
0 6 -2 93286.90 86233.48 1693.44 o
2 6 -2 71582.09 74486.37 1781.73 o
4 6 -2 36022.95 37546.91 1059.40 o
6 6 -2 13350.97 14272.40 247.73 o
0 8 -2 22123.13 20891.35 596.55 o
2 8 -2 17601.41 17287.17 317.33 o
4 8 -2 9121.95 9493.95 133.35 o
6 8 -2 3175.52 3407.11 99.78 o
0 10 -2 1785.33 1868.06 42.96 o
2 10 -2 1430.34 1333.18 50.69 o
4 10 -2 725.91 652.98 49.25 o
6 10 -2 226.05 296.83 42.15 o
0 12 -2 42179.85 41749.13 1185.08 o
2 12 -2 34245.59 33649.18 1436.79 o
4 12 -2 18863.20 19122.65 523.56 o
6 12 -2 7486.05 7358.75 142.73 o
0 14 -2 18053.32 18176.37 571.38 o
2 14 -2 14711.51 15127.77 172.47 o
4 14 -2 8094.78 8201.35 156.84 o
6 14 -2 3130.14 2934.54 79.40 o
0 16 -2 199.84 211.11 15.93 o
2 16 -2 166.56 180.77 15.02 o
4 16 -2 98.86 83.42 15.23 o
0 18 -2 16009.62 16050.17 433.94 o
2 18 -2 13333.19 12696.25 244.06 o
0 20 -2 9033.37 8356.74 282.09 o
1 1 -1 28998.95 29583.94 883.05 o
3 1 -1 15401.41 15431.47 493.69 o
5 1 -1 6064.59 6329.40 123.07 o
7 1 -1 1815.94 1821.24 76.34 o
1 3 -1 120921.70 123666.91 2787.20 o
3 3 -1 65589.23 63225.50 1580.98 o
5 3 -1 26171.97 27411.35 420.76 o
7 3 -1 7954.50 7457.81 480.15 o
1 5 -1 44572.39 42608.73 792.64 o
3 5 -1 24825.65 23473.62 363.33 o
5 5 -1 9738.67 9414.61 254.70 o
1 7 -1 11902.41 12340.57 182.83 o
3 7 -1 6906.67 6894.78 93.82 o
5 7 -1 2784.86 2752.24 63.04 o
7 7 -1 832.21 899.42 67.07 o
1 9 -1 64056.74 60368.95 1096.46 o
3 9 -1 40463.89 38901.60 694.21 o
5 9 -1 17667.25 17773.08 272.33 o
7 9 -1 5707.62 5727.55 125.73 o
1 11 -1 28022.98 28189.14 597.69 o
3 11 -1 18039.92 18555.98 341.47 o
5 11 -1 7889.50 8169.07 159.23 o
7 11 -1 2486.38 2371.48 70.13 o
1 13 -1 1309.09 1262.67 35.41 o
3 13 -1 857.45 821.90 27.92 o
5 13 -1 391.01 402.76 43.68 o
1 15 -1 27700.93 28619.97 420.69 o
3 15 -1 18651.50 19234.12 391.90 o
5 15 -1 8760.35 9210.08 235.93 o
1 17 -1 16871.41 17038.79 305.38 o
3 17 -1 11539.78 11422.41 367.54 o
1 19 -1 53.47 61.37 12.45 o
3 19 -1 37.35 93.87 35.28 o
2 0 0 204323.48 189681.86 6998.67 o
4 0 0 77730.84 79130.84 2438.33 o
6 0 0 25686.67 27501.87 419.85 o
8 0 0 7229.17 7357.07 211.17 o
2 2 0 10091.73 9069.20 127.32 o
4 2 0 5884.56 5397.04 176.30 o
6 2 0 2021.10 2029.63 47.17 o
8 2 0 399.10 417.51 38.35 o
0 4 0 15234.91 17051.73 408.60 o
2 4 0 11017.60 9901.06 225.21 o
4 4 0 5214.84 5030.71 114.87 o
6 4 0 1733.49 1764.81 53.90 o
8 4 0 391.12 466.17 50.36 o
0 6 0 99460.99 100000.95 2810.66 o
2 6 0 74658.98 70263.29 593.52 o
4 6 0 36352.79 35315.83 513.44 o
6 6 0 12770.39 13146.63 164.52 o
8 6 0 3406.73 3096.30 159.76 o
0 8 0 44534.04 47471.43 1555.31 o
2 8 0 34077.39 31919.52 590.37 o
4 8 0 17096.71 17598.80 282.96 o
6 8 0 6246.71 6287.44 178.69 o
0 10 0 3424.28 3417.29 122.84 o
2 10 0 2739.93 2620.35 85.56 o
4 10 0 1448.99 1456.95 44.73 o
6 10 0 520.89 560.82 28.79 o
0 12 0 60808.36 65559.43 2377.89 o
2 12 0 48883.90 48811.88 1131.80 o
4 12 0 26518.17 27379.80 745.87 o
6 12 0 10468.66 10564.06 218.06 o
0 14 0 14949.93 16208.84 275.35 o
2 14 0 12055.34 11992.71 198.11 o
4 14 0 6340.17 6056.21 147.08 o
6 14 0 2208.79 2103.95 81.15 o
0 16 0 107.17 81.76 30.41 o
2 16 0 99.96 117.43 28.00 o
4 16 0 86.15 54.04 24.34 o
0 18 0 21045.65 22106.53 864.02 o
2 18 0 17505.11 18142.75 203.91 o
4 18 0 10252.94 9664.09 343.72 o
0 20 0 12648.19 12800.75 508.74 o
2 20 0 10518.64 10453.31 236.07 o
1 1 1 27484.38 28026.06 702.47 o
3 1 1 14634.17 14792.87 198.88 o
5 1 1 5745.55 5895.93 125.60 o
7 1 1 1687.02 1757.60 58.76 o
1 3 1 121957.59 121360.42 4293.40 o
3 3 1 66150.23 65191.95 889.35 o
5 3 1 26418.79 27457.35 320.51 o
7 3 1 8056.63 8241.21 231.47 o
1 5 1 45188.27 44768.37 1329.09 o
3 5 1 25161.05 24426.70 571.33 o
5 5 1 9887.25 10483.33 235.96 o
1 7 1 12407.23 13359.49 373.32 o
3 7 1 7211.55 7184.88 189.01 o
5 7 1 2933.34 2748.11 92.49 o
7 7 1 896.74 865.17 35.40 o
1 9 1 63233.03 62229.89 669.04 o
3 9 1 39923.11 37235.35 544.64 o
5 9 1 17382.64 16934.35 269.78 o
7 9 1 5579.50 4992.04 275.61 o
1 11 1 27943.98 28983.58 319.52 o
3 11 1 17985.94 18198.42 356.30 o
5 11 1 7862.04 8342.87 172.37 o
7 11 1 2475.22 2486.22 74.78 o
1 13 1 1187.59 1223.07 29.92 o
3 13 1 769.06 773.33 42.85 o
5 13 1 340.89 334.62 38.91 o
1 15 1 28356.40 30081.14 476.50 o
3 15 1 19143.64 19355.38 371.21 o
5 15 1 9048.71 8917.13 182.54 o
1 17 1 16577.07 16280.52 373.45 o
3 17 1 11313.93 11408.76 326.63 o
1 19 1 52.26 54.72 12.10 o
3 19 1 36.47 56.95 35.92 o
0 0 2 126387.30 120481.87 7256.33 o
2 0 2 91215.98 91152.87 4042.09 o
4 0 2 42289.50 42943.93 403.50 o
6 0 2 14710.72 16307.62 418.54 o
8 0 2 3981.84 3614.39 88.61 o
0 2 2 25090.45 23925.04 768.78 o
2 2 2 18850.68 18721.86 542.92 o
4 2 2 9213.63 9849.90 99.03 o
6 2 2 3191.70 3341.82 61.73 o
8 2 2 802.29 745.15 25.74 o
0 4 2 11888.57 10823.67 273.02 o
2 4 2 9027.26 9193.28 122.10 o
4 4 2 4389.66 4555.64 99.67 o
6 4 2 1463.15 1404.13 36.99 o
8 4 2 339.62 250.92 22.95 o
0 6 2 92267.11 87330.98 4501.69 o
2 6 2 70810.57 69873.61 1069.36 o
4 6 2 35636.05 38457.76 891.93 o
6 6 2 13194.13 13929.75 274.29 o
0 8 2 22535.73 20531.61 803.18 o
2 8 2 17922.75 17370.66 500.13 o
4 8 2 9290.17 9159.26 189.61 o
6 8 2 3243.82 3397.35 116.38 o
0 10 2 1869.87 1928.64 150.82 o
2 10 2 1498.29 1585.78 76.68 o
4 10 2 763.89 731.17 44.98 o
6 10 2 242.95 254.54 15.36 o
0 12 2 42040.28 42373.45 1153.29 o
2 12 2 34129.13 33941.00 688.51 o
4 12 2 18790.39 18705.00 383.82 o
6 12 2 7446.17 6625.37 200.80 o
0 14 2 18187.09 18157.57 399.51 o
2 14 2 14828.91 15531.64 413.10 o
4 14 2 8177.70 8139.91 212.45 o
6 14 2 3180.39 2790.25 220.37 o
0 16 2 231.60 252.36 27.57 o
2 16 2 194.48 208.04 16.18 o
4 16 2 118.26 130.98 21.90 o
0 18 2 15721.37 16407.87 564.47 o
2 18 2 13080.55 13166.95 193.59 o
0 20 2 9245.53 9202.02 271.32 o
1 1 3 10882.78 10291.44 102.82 o
3 1 3 6768.62 6521.26 86.16 o
5 1 3 2755.51 2611.24 45.11 o
7 1 3 744.85 760.68 29.89 o
1 3 3 68479.81 67009.03 815.57 o
3 3 3 42714.00 43615.45 811.04 o
5 3 3 18592.04 18703.95 241.17 o
7 3 3 6057.67 5745.25 124.88 o
1 5 3 22152.23 20870.08 498.89 o
3 5 3 13841.22 14211.22 377.58 o
5 5 3 5890.15 5920.51 94.89 o
7 5 3 1817.36 1779.17 49.11 o
1 7 3 6457.89 6268.50 100.85 o
3 7 3 4132.98 4323.66 98.93 o
5 7 3 1829.64 1804.28 51.91 o
7 7 3 597.87 563.13 24.28 o
1 9 3 37597.02 39851.84 1096.22 o
3 9 3 24590.60 25322.75 390.78 o
5 9 3 11026.21 11336.31 147.15 o
1 11 3 18048.56 18201.40 297.50 o
3 11 3 11894.83 11367.75 391.92 o
5 11 3 5376.36 5489.67 168.74 o
1 13 3 545.05 521.66 28.85 o
3 13 3 339.76 392.85 43.39 o
5 13 3 133.29 185.57 50.49 o
1 15 3 20691.51 21635.27 276.11 o
3 15 3 14314.93 13893.29 258.21 o
5 15 3 7086.20 6310.80 463.78 o
1 17 3 9265.54 9337.00 159.46 o
3 17 3 6298.26 6071.93 117.55 o
1 19 3 16.51 93.43 34.23 o
0 0 4 43427.54 42372.44 2384.70 o
2 0 4 34757.57 35632.91 1537.88 o
4 0 4 18513.56 19423.57 706.64 o
6 0 4 7003.45 6731.01 121.43 o
0 2 4 13863.30 13344.23 367.73 o
2 2 4 11021.75 11350.12 243.59 o
4 2 4 5768.81 5908.74 82.99 o
6 2 4 2113.68 2075.33 48.97 o
0 4 4 6259.65 6304.93 151.76 o
2 4 4 4988.22 4947.96 99.30 o
4 4 4 2603.87 2598.23 64.61 o
6 4 4 942.97 897.42 35.11 o
0 6 4 42270.74 41263.48 1347.67 o
2 6 4 34144.01 35016.16 448.60 o
4 6 4 18655.90 19770.94 536.48 o
6 6 4 7370.21 7475.25 155.32 o
0 8 4 12187.86 12231.32 546.38 o
2 8 4 9888.91 9839.16 128.99 o
4 8 4 5384.78 5955.41 138.78 o
6 8 4 2067.85 2145.59 48.77 o
0 10 4 1684.64 1588.50 79.21 o
2 10 4 1375.57 1298.73 70.51 o
4 10 4 767.82 794.98 54.97 o
6 10 4 312.75 265.00 50.31 o
0 12 4 19607.51 20242.24 724.38 o
2 12 4 16149.13 16601.24 262.69 o
4 12 4 9181.73 8904.94 147.14 o
0 14 4 11386.44 11960.34 458.55 o
2 14 4 9393.51 9301.42 133.25 o
4 14 4 5352.28 5249.02 144.87 o
0 16 4 158.73 188.46 62.84 o
2 16 4 130.55 110.40 18.33 o
0 18 4 8616.17 8153.12 344.78 o
1 1 5 7015.45 6926.92 128.80 o
3 1 5 4679.39 4564.17 67.08 o
5 1 5 2174.25 2295.19 59.17 o
1 3 5 25583.10 25921.05 297.93 o
3 3 5 17107.57 17902.78 350.49 o
5 3 5 7987.02 8043.47 136.04 o
1 5 5 5275.13 5178.26 65.41 o
3 5 5 3427.22 3329.17 63.84 o
5 5 5 1463.02 1552.79 40.91 o
1 7 5 442.13 445.60 26.92 o
3 7 5 260.18 281.72 33.45 o
5 7 5 81.05 142.00 19.82 o
1 9 5 21930.03 23200.29 312.02 o
3 9 5 15117.67 16016.29 390.26 o
5 9 5 7471.34 7422.93 237.89 o
1 11 5 6749.17 6638.62 209.63 o
3 11 5 4552.27 4521.94 90.82 o
1 13 5 573.65 622.27 94.09 o
3 13 5 396.79 379.47 34.47 o
1 15 5 7134.19 7031.69 123.25 o
0 0 6 14799.25 14848.66 1057.45 o
2 0 6 12208.34 12069.74 297.43 o
4 0 6 6981.17 6644.41 240.19 o
0 2 6 4501.60 4550.58 79.33 o
2 2 6 3688.86 3744.28 79.76 o
4 2 6 2064.30 2057.44 54.33 o
0 4 6 2221.11 2276.31 107.01 o
2 4 6 1820.08 1812.42 52.71 o
4 4 6 1018.40 1062.02 26.72 o
0 6 6 12776.90 13536.76 230.03 o
2 6 6 10554.27 10328.55 175.55 o
4 6 6 6040.19 5737.37 137.10 o
0 8 6 5000.21 5272.14 140.81 o
2 8 6 4143.60 4188.10 96.26 o
4 8 6 2393.45 2310.72 96.71 o
0 10 6 758.30 813.87 51.74 o
2 10 6 632.99 627.38 34.00 o
0 12 6 6886.91 6922.06 518.25 o
2 12 6 5748.87 5188.34 128.20 o
1 1 7 1280.23 1256.85 35.00 o
3 1 7 860.00 850.01 29.41 o
1 3 7 8200.25 8076.22 265.58 o
3 3 7 5761.34 5015.54 209.29 o
1 5 7 1738.45 1828.77 51.78 o
3 5 7 1174.55 1064.71 96.07 o
1 7 7 305.91 303.23 25.67 o