#------------------------------------------------------------------------------
#$Date: 2013-08-28 13:42:33 +0300 (Wed, 28 Aug 2013) $
#$Revision: 88054 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/74/2237456.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_2237456_Fobs
loop_
_publ_author_name
'Yan, Bin'
'Sheng, Daopeng'
'Yang, Yanzhao'
_publ_section_title
;
 Poly[tris(dimethylformamide)(\m~3~-2,4,6-triiodobenzene-1,3,5-tricarboxylato)samarium(III)]
;
_journal_coeditor_code           CV5378
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m149
_journal_volume                  69
_journal_year                    2013
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   14.1341
_cell_length_b                   14.1341
_cell_length_c                   14.1341
_exptl_crystal_F_000             1772.00
_reflns_d_resolution_high        0.7734
_[local]_cod_data_source_file    cv5378Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' shengdaopengo4 in P2(1)3'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            714.00
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'z, x, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z, x'
'-y, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z, x+1/2'
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 2 6061.28 6691.52 191.10 o
-1 1 2 26548.04 28447.38 500.62 o
0 1 2 513.87 644.57 41.95 o
1 1 2 26475.55 27668.98 706.01 o
-2 2 2 503209.66 492802.47 28850.01 o
-1 2 2 4138.27 4256.72 67.04 o
0 2 2 125.36 -20.55 20.55 o
1 2 2 3788.14 3764.48 94.87 o
2 2 2 509797.09 510779.28 12135.60 o
1 0 3 13132.13 14202.89 270.63 o
2 0 3 1629.61 1789.03 47.89 o
-2 1 3 7080.13 7625.05 117.32 o
-1 1 3 37476.92 37789.29 683.50 o
0 1 3 325.21 518.80 54.44 o
1 1 3 38623.91 39271.45 686.35 o
2 1 3 8098.20 8628.21 240.46 o
-2 2 3 3254.15 3712.89 127.14 o
-1 2 3 9793.38 10147.89 139.77 o
0 2 3 16770.21 18237.77 278.08 o
1 2 3 8980.96 9338.78 197.27 o
2 2 3 3143.44 3487.67 87.72 o
-3 3 3 96660.56 96082.79 1601.90 o
-2 3 3 39038.56 40969.47 465.60 o
-1 3 3 62110.64 63800.69 723.28 o
0 3 3 20863.09 22890.59 299.55 o
1 3 3 68658.83 68179.68 814.61 o
2 3 3 39683.55 42147.74 605.46 o
3 3 3 88057.38 88693.04 1602.48 o
0 0 4 362377.13 329677.41 8081.93 o
1 0 4 507.90 402.85 34.90 o
2 0 4 13641.52 12679.41 352.84 o
3 0 4 2153.35 2240.73 61.84 o
-3 1 4 14919.08 15571.71 245.54 o
-2 1 4 35959.70 37719.95 556.76 o
-1 1 4 27276.26 28072.10 516.13 o
0 1 4 4786.72 4784.53 116.86 o
1 1 4 27208.95 28447.20 488.80 o
2 1 4 36685.79 38614.51 559.57 o
3 1 4 14551.09 14821.30 209.25 o
-3 2 4 33787.78 36047.82 402.47 o
-2 2 4 811.34 1021.20 41.41 o
-1 2 4 46678.34 49656.43 622.45 o
0 2 4 796.82 916.23 39.00 o
1 2 4 46948.88 50220.62 883.38 o
3 2 4 31799.73 34055.71 451.58 o
-3 3 4 18214.90 18850.61 227.46 o
-2 3 4 8792.36 9164.91 135.82 o
-1 3 4 19556.81 21168.45 281.73 o
0 3 4 25247.46 26906.84 406.06 o
1 3 4 19751.37 21250.77 329.17 o
2 3 4 8176.75 8385.86 157.91 o
3 3 4 17698.00 18427.92 299.95 o
-4 4 4 154025.33 155602.89 2640.88 o
-3 4 4 3962.89 3953.04 69.69 o
-2 4 4 25222.41 25059.96 298.46 o
-1 4 4 15014.06 15437.37 219.26 o
0 4 4 232857.81 230753.77 2785.07 o
1 4 4 15616.21 15870.61 222.15 o
2 4 4 25217.15 25337.72 338.39 o
3 4 4 3873.17 3925.30 73.14 o
4 4 4 150335.53 151230.33 2648.11 o
1 0 5 42765.90 44526.04 800.85 o
2 0 5 21.44 43.44 14.43 o
3 0 5 879.24 945.55 49.59 o
4 0 5 6700.32 7352.80 120.67 o
-4 1 5 8068.06 8309.77 130.13 o
-3 1 5 65589.60 67384.52 958.04 o
-2 1 5 1900.67 1780.49 54.87 o
-1 1 5 83304.78 83860.78 1402.83 o
0 1 5 155.65 91.74 34.53 o
1 1 5 77422.23 77484.41 1134.68 o
2 1 5 2052.72 1991.60 57.64 o
3 1 5 66183.32 65815.51 997.98 o
4 1 5 7913.19 7994.93 131.50 o
-4 2 5 9610.95 10439.95 142.17 o
-3 2 5 2167.18 2376.60 57.89 o
-2 2 5 734.63 748.71 35.74 o
-1 2 5 38356.63 39706.89 577.34 o
0 2 5 10580.80 11126.72 234.39 o
1 2 5 37737.44 39046.51 706.14 o
2 2 5 743.11 724.49 36.53 o
3 2 5 1801.80 2130.35 87.45 o
4 2 5 9641.83 10375.94 162.27 o
-4 3 5 3356.08 3281.79 63.52 o
-3 3 5 40070.45 40928.48 469.13 o
-2 3 5 2102.71 2165.33 54.43 o
-1 3 5 56976.32 57736.92 728.32 o
0 3 5 253.64 239.43 26.58 o
1 3 5 59247.39 58833.62 846.98 o
2 3 5 2000.78 2108.88 63.71 o
3 3 5 40694.56 41296.45 614.14 o
4 3 5 3542.31 3510.68 76.92 o
-4 4 5 1220.85 1264.54 35.79 o
-3 4 5 13384.04 13667.23 163.15 o
-2 4 5 25447.01 26827.69 365.51 o
-1 4 5 13199.20 13450.11 281.55 o
0 4 5 404.91 423.76 52.85 o
1 4 5 14776.12 14365.73 238.42 o
2 4 5 26985.89 28259.71 373.21 o
3 4 5 13286.17 13772.52 186.13 o
4 4 5 1363.02 1408.16 50.39 o
-5 5 5 80664.50 80128.92 1395.26 o
-4 5 5 13204.66 13199.19 159.74 o
-3 5 5 32549.30 31793.60 382.79 o
-2 5 5 23797.24 24543.77 301.38 o
-1 5 5 95401.26 94448.50 1145.63 o
0 5 5 6057.59 6059.32 120.91 o
1 5 5 91792.26 90309.45 1144.90 o
2 5 5 24120.03 25163.04 342.92 o
3 5 5 33902.96 33045.03 435.89 o
4 5 5 12612.63 12538.33 181.26 o
5 5 5 76340.24 75805.94 1992.87 o
0 0 6 688.48 1033.40 82.62 o
1 0 6 43305.30 44934.95 658.95 o
2 0 6 19605.67 19384.07 308.54 o
3 0 6 55129.85 55788.97 816.80 o
4 0 6 2528.54 2587.23 60.46 o
5 0 6 42248.46 43097.42 559.68 o
-5 1 6 13568.58 13427.93 200.84 o
-4 1 6 20589.06 20733.70 283.58 o
-3 1 6 7285.98 7552.61 151.93 o
-2 1 6 11230.31 11139.38 184.90 o
-1 1 6 5960.49 6108.02 116.27 o
0 1 6 27409.92 27338.71 413.96 o
1 1 6 5706.42 5934.89 139.94 o
2 1 6 9927.43 9679.30 181.71 o
3 1 6 7616.35 7941.28 183.44 o
4 1 6 20386.93 20550.64 286.27 o
5 1 6 13403.11 13247.86 202.98 o
-5 2 6 991.27 1000.58 38.84 o
-4 2 6 34752.52 33956.70 441.96 o
-3 2 6 1237.08 1182.45 50.49 o
-2 2 6 156283.59 155258.81 2168.01 o
-1 2 6 5079.70 5074.47 105.51 o
0 2 6 61361.86 62435.44 1112.65 o
1 2 6 5260.54 5256.37 109.81 o
2 2 6 154044.52 153388.34 2169.74 o
3 2 6 1150.34 1191.31 51.61 o
4 2 6 34782.22 33763.43 447.41 o
5 2 6 862.14 874.30 44.70 o
-5 3 6 6095.35 5953.29 100.11 o
-4 3 6 14882.63 15097.35 197.24 o
-3 3 6 11936.72 12324.94 160.86 o
-2 3 6 12128.04 12446.01 186.48 o
-1 3 6 151.52 174.87 20.99 o
0 3 6 5446.85 5435.32 142.84 o
1 3 6 92.21 85.63 26.34 o
2 3 6 11950.06 12102.07 215.32 o
3 3 6 11397.24 11550.04 214.49 o
4 3 6 15339.34 15306.73 464.84 o
5 3 6 6278.50 6279.88 118.55 o
-5 4 6 13173.18 13265.67 185.08 o
-4 4 6 4058.05 3934.19 73.57 o
-3 4 6 28116.09 28439.42 343.56 o
-2 4 6 12038.44 11919.39 181.42 o
-1 4 6 27529.38 28358.49 441.63 o
0 4 6 9492.73 9376.44 178.13 o
1 4 6 28009.11 27977.38 442.00 o
2 4 6 11792.25 11380.66 257.09 o
3 4 6 28486.21 29558.21 454.90 o
4 4 6 3877.74 3859.05 89.26 o
5 4 6 13737.07 14080.15 220.03 o
-5 5 6 11831.01 11757.23 153.30 o
-4 5 6 11787.54 11804.69 150.96 o
-3 5 6 3426.67 3355.47 83.88 o
-2 5 6 3978.88 4206.27 79.75 o
-1 5 6 2746.26 2780.77 69.66 o
0 5 6 510.60 472.11 31.76 o
1 5 6 2742.27 2788.16 71.69 o
2 5 6 4179.53 4330.13 94.12 o
3 5 6 3518.40 3492.76 75.42 o
4 5 6 11895.15 11890.04 195.00 o
5 5 6 12025.58 12191.11 200.83 o
-6 6 6 26823.23 25748.86 508.55 o
-5 6 6 2619.27 2416.93 85.53 o
-4 6 6 30245.06 30022.38 330.05 o
-3 6 6 6568.94 6506.68 109.78 o
-2 6 6 46977.07 46126.33 605.71 o
-1 6 6 24156.76 23939.64 335.69 o
0 6 6 47621.42 47865.89 622.95 o
1 6 6 24104.28 24032.69 338.34 o
2 6 6 48497.13 47072.07 611.74 o
3 6 6 7071.08 6829.71 147.68 o
4 6 6 29320.31 29191.41 370.00 o
5 6 6 2791.01 2657.36 92.25 o
6 6 6 26388.63 24983.79 751.10 o
1 0 7 1170.88 1029.89 49.89 o
2 0 7 897.91 1049.78 46.57 o
3 0 7 11578.21 11161.08 246.76 o
4 0 7 0.18 5.08 19.74 o
5 0 7 3248.33 3492.81 80.40 o
6 0 7 1267.34 1327.96 50.35 o
-6 1 7 1682.27 1697.49 55.88 o
-5 1 7 30982.15 30803.25 424.03 o
-4 1 7 398.47 471.14 36.80 o
-3 1 7 55609.14 54324.91 813.23 o
-2 1 7 3503.80 3644.21 88.44 o
-1 1 7 52970.12 53117.92 769.89 o
0 1 7 4471.61 4321.45 129.65 o
1 1 7 49834.00 51954.31 937.03 o
2 1 7 3338.64 3412.12 91.30 o
3 1 7 58285.16 56213.77 817.59 o
4 1 7 288.69 289.98 32.57 o
5 1 7 32878.33 33136.34 493.07 o
6 1 7 1831.02 1798.47 61.53 o
-6 2 7 73.31 115.87 29.56 o
-5 2 7 4181.28 4160.79 108.75 o
-4 2 7 2775.47 2714.47 136.08 o
-3 2 7 20288.64 20252.12 334.40 o
-2 2 7 1271.51 1412.21 60.85 o
-1 2 7 12543.93 12822.21 219.22 o
0 2 7 5107.35 5243.52 138.48 o
1 2 7 12753.36 13082.26 224.35 o
2 2 7 1279.91 1429.81 55.89 o
3 2 7 20987.36 20898.68 339.38 o
4 2 7 2685.33 2738.94 101.09 o
5 2 7 4253.71 4081.29 95.10 o
6 2 7 70.63 134.52 24.58 o
-6 3 7 1667.53 1656.06 70.48 o
-5 3 7 19426.71 19083.04 331.54 o
-4 3 7 6397.01 6490.66 138.93 o
-3 3 7 71516.55 69939.11 983.93 o
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-1 3 7 43523.39 43583.05 874.19 o
0 3 7 1947.86 2098.25 134.56 o
1 3 7 46068.15 45683.53 667.12 o
2 3 7 3056.29 2956.57 114.37 o
3 3 7 66495.06 64767.04 984.52 o
4 3 7 6041.71 5967.48 139.49 o
5 3 7 20154.01 20189.40 340.19 o
6 3 7 1863.92 1925.80 64.61 o
-6 4 7 1549.68 1509.54 59.81 o
-5 4 7 6458.91 6362.01 124.94 o
-4 4 7 779.14 782.03 42.42 o
-3 4 7 21018.53 20958.66 261.11 o
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0 4 7 121.30 93.33 82.18 o
1 4 7 9736.15 9578.75 226.02 o
2 4 7 8597.50 8661.99 200.69 o
3 4 7 20984.40 20770.89 347.70 o
4 4 7 806.64 798.60 49.55 o
5 4 7 6413.49 6093.87 146.32 o
6 4 7 1458.02 1486.62 77.31 o
-6 5 7 13558.52 13123.44 190.40 o
-5 5 7 24230.73 23925.86 305.85 o
-4 5 7 12149.61 12288.98 175.48 o
-3 5 7 33999.59 33941.87 377.25 o
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-1 5 7 31669.47 32358.67 505.49 o
0 5 7 9565.45 8827.09 177.40 o
1 5 7 31753.09 31936.25 506.09 o
2 5 7 12844.67 12927.64 241.22 o
3 5 7 36385.08 36037.72 475.74 o
4 5 7 11743.58 11653.53 199.79 o
5 5 7 24896.96 23895.61 350.77 o
6 5 7 13390.15 13044.54 222.60 o
-6 6 7 1461.98 1445.81 52.42 o
-5 6 7 9122.51 9062.62 145.90 o
-4 6 7 9606.44 9626.18 148.52 o
-3 6 7 17818.12 17637.25 235.21 o
-2 6 7 581.23 675.68 44.68 o
-1 6 7 16563.10 16262.66 248.62 o
0 6 7 17135.23 17204.41 260.36 o
1 6 7 16708.86 16347.14 287.39 o
2 6 7 569.79 601.93 40.10 o
3 6 7 17498.50 17307.30 240.31 o
4 6 7 9410.25 9256.58 170.96 o
5 6 7 9509.84 9386.97 175.15 o
6 6 7 1455.90 1372.71 111.48 o
-7 7 7 27840.42 27736.78 813.77 o
-6 7 7 13206.04 13034.20 220.19 o
-5 7 7 22169.98 21837.77 328.03 o
-4 7 7 8966.85 8608.80 162.56 o
-3 7 7 32720.55 31459.40 504.38 o
-2 7 7 4791.95 4756.21 126.98 o
-1 7 7 36281.51 36018.75 596.12 o
0 7 7 4361.24 4300.31 100.17 o
1 7 7 40110.33 39073.66 515.01 o
2 7 7 4235.48 4220.88 101.73 o
3 7 7 31055.11 30405.00 433.80 o
4 7 7 8890.33 8647.51 147.15 o
5 7 7 22225.77 21915.69 389.70 o
6 7 7 12998.59 12665.27 263.39 o
7 7 7 26857.69 26590.26 817.48 o
0 0 8 111780.25 112303.55 2791.69 o
1 0 8 158.53 156.68 24.55 o
2 0 8 71742.63 71168.32 1035.09 o
3 0 8 62.94 89.38 25.42 o
4 0 8 35065.48 34294.73 536.91 o
5 0 8 536.22 518.74 66.55 o
6 0 8 25443.14 24336.08 411.46 o
7 0 8 3278.64 3356.61 110.05 o
-7 1 8 3786.82 3695.99 115.40 o
-6 1 8 15498.69 15246.01 282.89 o
-5 1 8 11197.51 10960.95 216.55 o
-4 1 8 17169.46 16902.38 292.76 o
-3 1 8 748.40 663.92 76.90 o
-2 1 8 18488.57 18309.99 304.80 o
-1 1 8 2357.65 2430.88 69.68 o
0 1 8 9379.80 9363.45 171.98 o
1 1 8 2231.36 2261.09 69.10 o
2 1 8 18742.64 18533.80 369.50 o
3 1 8 591.59 558.75 58.80 o
4 1 8 16800.28 16632.74 293.40 o
5 1 8 11320.51 11243.46 219.82 o
6 1 8 15265.70 15283.75 284.65 o
7 1 8 3669.51 3886.07 119.01 o
-7 2 8 10840.80 11178.90 230.84 o
-6 2 8 3457.46 3385.08 128.49 o
-5 2 8 18424.92 18109.21 313.46 o
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0 2 8 13096.87 13280.30 231.81 o
1 2 8 38335.76 39051.68 588.50 o
2 2 8 678.03 706.81 43.33 o
3 2 8 34978.80 34945.90 539.86 o
4 2 8 17788.18 17966.13 315.46 o
5 2 8 18400.81 17586.21 315.29 o
6 2 8 4397.23 4376.33 120.16 o
7 2 8 11156.87 11375.89 241.42 o
-7 3 8 5755.06 5279.26 166.87 o
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0 3 8 9335.73 9525.18 232.29 o
1 3 8 1404.64 1533.65 60.99 o
2 3 8 6936.41 6990.35 148.05 o
3 3 8 5693.40 5341.08 240.22 o
4 3 8 13632.57 13573.06 250.50 o
5 3 8 5460.93 5551.04 153.32 o
6 3 8 6017.44 5975.12 154.87 o
7 3 8 5717.08 5325.04 144.11 o
-7 4 8 142.04 179.56 49.74 o
-6 4 8 25121.28 23863.61 407.04 o
-5 4 8 1556.42 1481.16 67.69 o
-4 4 8 15994.18 15695.17 330.80 o
-3 4 8 3386.39 3436.82 94.90 o
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-1 4 8 2697.19 2557.43 105.75 o
0 4 8 40547.47 40261.93 759.04 o
1 4 8 2591.07 2263.19 99.49 o
2 4 8 52833.23 53095.79 793.47 o
3 4 8 3208.32 3112.34 95.64 o
4 4 8 17035.82 17082.33 296.82 o
5 4 8 1494.61 1481.68 72.93 o
6 4 8 25459.21 24375.09 415.87 o
7 4 8 175.96 190.09 34.21 o
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0 5 8 1116.46 1076.45 67.50 o
1 5 8 206.01 184.09 38.45 o
2 5 8 4495.94 4578.45 117.90 o
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5 6 8 3885.81 3739.85 118.81 o
6 6 8 13514.39 12797.65 227.31 o
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-7 7 8 6849.65 6880.75 177.97 o
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-4 7 8 2032.67 1988.34 71.86 o
-3 7 8 3295.80 3174.87 107.44 o
-2 7 8 371.01 391.46 46.32 o
-1 7 8 260.43 237.87 40.58 o
0 7 8 179.82 303.51 33.87 o
1 7 8 191.66 181.94 29.83 o
2 7 8 380.06 377.07 40.30 o
3 7 8 3305.13 3170.34 81.38 o
4 7 8 2046.69 2030.27 108.32 o
5 7 8 6213.44 5991.56 135.34 o
6 7 8 201.49 288.79 48.11 o
7 7 8 6764.78 6803.54 180.64 o
-8 8 8 4227.12 3928.27 239.90 o
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