#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2011333.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_2011333_Fobs loop_ _publ_author_name 'Wieczorrek, Carsten' _publ_section_title ; Isolierte I~10~^2{-^}-Ringe, ein neues Strukturelement in der Polyiodid-Chemie ; _journal_issue 9 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1082 _journal_page_last 1084 _journal_volume 56 _journal_year 2000 _space_group_IT_number 70 _symmetry_space_group_name_Hall '-F 2uv 2vw' _symmetry_space_group_name_H-M 'F d d d :2' _exptl_crystal_F_000 6160.00 _[local]_cod_data_source_file jz1406Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Cd(12K4)2I10 F d d d' _shelx_refln_list_code 4 _shelx_f_calc_maximum 2170.11 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries 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 4 0 0 4608908.50 4490972.00 170733.58 o 8 0 0 268946.94 254369.17 11549.89 o 12 0 0 61201.29 64239.82 2470.57 o 2 2 0 171888.73 184112.91 5604.35 o 6 2 0 275563.06 265704.03 7824.56 o 10 2 0 28716.35 28919.89 1468.35 o 0 4 0 1954564.00 1959830.75 85339.96 o 4 4 0 857891.44 875663.25 22351.74 o 8 4 0 12572.19 13455.55 357.35 o 12 4 0 15124.62 16416.70 819.28 o 2 6 0 1484637.75 1518749.25 27583.48 o 6 6 0 128393.50 131449.94 3993.53 o 10 6 0 632.98 328.73 329.18 o 0 8 0 1014816.38 1032316.19 24137.98 o 4 8 0 299476.06 288507.31 6334.03 o 8 8 0 4785.62 4595.05 288.07 o 12 8 0 24.00 207.16 417.26 o 2 10 0 1234.26 5200.93 1543.92 o 6 10 0 6747.69 7116.20 340.83 o 10 10 0 2814.69 3524.05 421.90 o 0 12 0 393878.19 434969.97 10415.04 o 4 12 0 3369.64 7407.05 141.21 o 8 12 0 29030.81 35193.29 594.23 o 2 14 0 2484554.00 2513823.50 43071.67 o 6 14 0 268870.94 257519.64 5974.99 o 10 14 0 40737.39 38962.61 1289.93 o 0 16 0 41656.16 38939.50 790.77 o 4 16 0 4098.18 4864.30 297.32 o 8 16 0 49848.45 48675.22 2096.80 o 2 18 0 1373805.63 1503005.63 34873.01 o 6 18 0 189269.42 202760.77 8817.66 o 0 20 0 217655.59 232263.02 6821.44 o 4 20 0 33778.06 30281.89 792.02 o 8 20 0 11.44 -22.76 546.75 o 2 22 0 49259.60 56251.61 1194.79 o 6 22 0 1148.26 1025.42 510.81 o 0 24 0 63207.04 54552.38 2468.04 o 4 24 0 7519.01 6635.16 1026.37 o 2 26 0 5964.77 8736.99 733.91 o 1 1 1 55696.69 61870.61 999.01 o 3 1 1 1670480.63 1732908.63 34859.83 o 5 1 1 332.61 1580.58 190.94 o 7 1 1 136803.22 134539.28 2650.71 o 9 1 1 519.27 949.61 255.63 o 11 1 1 1348.02 1027.47 161.74 o 13 1 1 4144.97 3431.99 506.66 o 1 3 1 533292.50 532543.00 6862.29 o 3 3 1 81669.22 80099.38 1459.66 o 5 3 1 66882.46 63793.29 1094.13 o 7 3 1 7495.97 8391.91 294.83 o 9 3 1 8303.95 10663.87 234.87 o 11 3 1 43178.26 47223.60 915.65 o 13 3 1 146.32 600.37 377.98 o 1 5 1 446953.09 468448.19 5436.32 o 3 5 1 132616.05 141695.17 2126.53 o 5 5 1 149412.94 134183.42 2073.39 o 7 5 1 2223.94 2868.06 186.82 o 9 5 1 103790.05 103031.85 1779.71 o 11 5 1 52.91 1054.01 246.18 o 13 5 1 4145.92 3771.22 503.10 o 1 7 1 3550563.50 3505412.25 69177.13 o 3 7 1 2239661.00 2281886.00 39206.88 o 5 7 1 696501.06 710603.38 11778.54 o 7 7 1 275518.09 276890.91 4698.63 o 9 7 1 70092.58 66018.50 1233.62 o 11 7 1 45944.29 50360.07 851.18 o 1 9 1 113538.19 114747.16 1304.28 o 3 9 1 3752.11 5939.19 203.97 o 5 9 1 32127.45 33312.22 726.05 o 7 9 1 132474.63 140636.67 2371.11 o 9 9 1 29563.99 29223.64 578.77 o 11 9 1 4933.01 5387.67 385.67 o 1 11 1 1397207.13 1442201.00 21312.08 o 3 11 1 893582.44 920872.31 11953.58 o 5 11 1 248322.50 243643.86 4158.03 o 7 11 1 23674.63 25374.84 489.92 o 9 11 1 56390.85 58345.45 1297.10 o 11 11 1 52.45 177.08 347.58 o 1 13 1 377019.38 379061.88 4686.20 o 3 13 1 15137.59 14686.04 219.46 o 5 13 1 142329.34 139888.02 1997.73 o 7 13 1 8297.04 7643.83 256.94 o 9 13 1 14223.29 12288.24 285.58 o 11 13 1 1918.78 1205.04 301.53 o 1 15 1 164.67 1047.67 260.70 o 3 15 1 13149.40 13099.28 288.73 o 5 15 1 29091.90 24410.07 488.11 o 7 15 1 125.23 760.55 173.28 o 9 15 1 20.48 -18.20 224.23 o 1 17 1 17624.30 17501.43 340.60 o 3 17 1 6.00 255.04 126.05 o 5 17 1 53508.62 49924.48 1248.09 o 7 17 1 703.64 1269.56 322.08 o 9 17 1 537.11 606.97 390.63 o 1 19 1 59527.77 62717.57 766.66 o 3 19 1 88.34 1918.79 331.29 o 5 19 1 21632.76 21973.04 635.21 o 7 19 1 22399.59 23910.60 683.22 o 9 19 1 223.79 754.73 378.95 o 1 21 1 197772.64 185517.11 2893.21 o 3 21 1 179975.58 184497.64 3229.75 o 5 21 1 48058.41 43400.33 804.86 o 7 21 1 15118.39 11902.41 443.60 o 1 23 1 28416.00 33827.06 1312.80 o 3 23 1 1299.59 1013.35 255.80 o 5 23 1 127.20 769.85 292.95 o 1 25 1 192344.73 201183.48 4954.83 o 3 25 1 133273.55 129769.57 3491.81 o 6 0 2 840229.06 878864.75 23308.34 o 10 0 2 62737.09 68253.29 2448.64 o 0 2 2 1197.86 2073.33 92.05 o 2 2 2 194915.97 199534.48 2645.32 o 4 2 2 1685.04 2871.00 170.33 o 6 2 2 286372.59 288224.91 5522.80 o 8 2 2 10201.38 11162.59 229.22 o 10 2 2 32370.25 28979.49 574.70 o 12 2 2 1466.18 913.67 443.44 o 2 4 2 1672198.50 1677516.63 31632.88 o 4 4 2 11374.76 9719.52 329.01 o 6 4 2 167161.05 160947.78 2718.98 o 8 4 2 61078.03 61799.95 1045.72 o 10 4 2 47893.15 46759.18 855.48 o 12 4 2 45619.81 47797.42 1158.87 o 0 6 2 1578032.63 1554360.50 27406.71 o 2 6 2 677024.31 665476.06 8851.06 o 4 6 2 108990.38 106096.44 1932.91 o 6 6 2 581224.38 596134.88 11239.08 o 8 6 2 122.29 1699.08 354.41 o 10 6 2 38086.90 32774.43 594.03 o 12 6 2 16.63 213.15 340.79 o 2 8 2 28002.99 30201.09 409.60 o 4 8 2 377233.00 367257.53 5467.56 o 6 8 2 309.13 653.57 136.29 o 8 8 2 8843.74 6789.05 243.69 o 10 8 2 7955.95 8110.75 347.70 o 12 8 2 2035.70 3269.65 325.73 o 0 10 2 64646.24 58931.37 927.69 o 2 10 2 137392.05 135391.97 1660.26 o 4 10 2 32989.25 34264.47 485.41 o 6 10 2 27525.04 24215.43 374.25 o 8 10 2 20280.64 20950.44 331.43 o 10 10 2 23951.51 27975.85 514.98 o 12 10 2 6379.45 7100.13 419.72 o 2 12 2 83226.27 88797.46 1171.59 o 4 12 2 588127.63 581206.00 6550.75 o 6 12 2 143.36 493.74 130.33 o 8 12 2 112285.85 107667.62 1984.82 o 10 12 2 2506.42 2437.51 259.45 o 0 14 2 1504266.63 1483968.38 28178.65 o 2 14 2 1941.41 3716.16 376.84 o 4 14 2 546770.06 562728.63 9747.86 o 6 14 2 5705.27 7971.12 222.94 o 8 14 2 78039.37 74339.90 1072.08 o 10 14 2 17934.00 16808.36 471.09 o 2 16 2 25936.97 29146.54 493.57 o 4 16 2 5607.47 6157.39 276.64 o 6 16 2 8587.30 10872.37 204.03 o 8 16 2 3288.60 3453.09 310.53 o 10 16 2 203.37 708.77 477.90 o 0 18 2 940909.94 974984.00 15178.76 o 2 18 2 823.37 2376.51 203.10 o 4 18 2 265400.50 273553.41 5049.85 o 6 18 2 1980.48 2530.70 293.03 o 8 18 2 46857.66 44489.25 1045.74 o 2 20 2 48096.93 45721.84 906.80 o 4 20 2 109348.52 107965.84 1785.19 o 6 20 2 896.67 525.16 313.84 o 8 20 2 22826.45 21135.64 647.70 o 0 22 2 45367.17 45766.74 1381.87 o 2 22 2 11478.34 10422.60 263.92 o 4 22 2 49784.85 51258.27 1209.21 o 6 22 2 759.42 1263.06 366.67 o 2 24 2 2591.49 2701.97 473.74 o 4 24 2 38781.00 41330.14 1268.09 o 0 26 2 1215.07 486.83 533.67 o 2 26 2 16656.07 16100.80 1200.45 o 1 1 3 3944.29 5672.94 174.06 o 3 1 3 707327.44 683197.38 12206.52 o 5 1 3 268839.53 255077.22 4565.93 o 7 1 3 261806.28 254698.56 4330.48 o 9 1 3 13057.79 12017.12 252.83 o 11 1 3 11161.33 9460.68 477.11 o 13 1 3 1784.95 2216.93 492.73 o 1 3 3 94937.70 99600.26 1052.26 o 3 3 3 595043.06 580764.00 10277.48 o 5 3 3 30956.33 31459.98 597.93 o 7 3 3 23781.54 21562.25 498.91 o 9 3 3 194032.59 207356.72 5425.39 o 11 3 3 6832.10 9587.34 319.23 o 13 3 3 53596.28 55329.54 1363.34 o 1 5 3 302210.22 304777.19 2858.99 o 3 5 3 331869.41 340292.19 5068.02 o 5 5 3 479105.31 477474.25 8082.59 o 7 5 3 145220.16 141386.98 2598.67 o 9 5 3 109382.29 109561.32 1791.10 o 11 5 3 25481.37 22078.70 500.92 o 13 5 3 14813.99 16419.69 608.05 o 1 7 3 194706.33 201581.69 2131.88 o 3 7 3 469313.63 466801.53 7290.19 o 5 7 3 144828.33 151423.03 2532.99 o 7 7 3 67460.21 67089.58 1223.16 o 9 7 3 133650.88 135233.34 2439.41 o 11 7 3 7924.60 10201.58 462.00 o 1 9 3 34422.80 39268.75 424.46 o 3 9 3 109542.46 106350.05 1252.73 o 5 9 3 1522.88 2578.15 210.46 o 7 9 3 51235.85 52314.09 819.79 o 9 9 3 1563.88 2538.23 416.02 o 11 9 3 10689.08 11372.31 495.55 o 1 11 3 253550.86 255987.61 2840.24 o 3 11 3 82280.25 85923.23 875.09 o 5 11 3 193606.64 197092.45 2842.60 o 7 11 3 175968.94 178318.81 2837.97 o 9 11 3 3008.15 2454.75 195.30 o 11 11 3 75927.91 80441.57 1498.19 o 1 13 3 43140.08 46807.69 867.46 o 3 13 3 188255.95 189782.42 2660.13 o 5 13 3 166530.39 170255.67 2385.17 o 7 13 3 133821.41 130411.50 2651.78 o 9 13 3 28958.79 27230.43 649.36 o 11 13 3 9061.51 6951.83 451.85 o 1 15 3 162684.92 168563.33 2135.34 o 3 15 3 6432.46 6437.12 245.84 o 5 15 3 164381.23 163096.47 2367.31 o 7 15 3 12804.20 11444.88 277.62 o 9 15 3 1084.04 1011.53 303.20 o 1 17 3 95976.99 100576.19 1332.98 o 3 17 3 38249.13 40013.70 602.90 o 5 17 3 127290.49 138481.30 2176.24 o 7 17 3 963.56 2070.20 261.28 o 9 17 3 1346.17 409.50 337.00 o 1 19 3 27196.57 27100.19 602.49 o 3 19 3 58867.94 56487.01 971.18 o 5 19 3 69797.38 65809.68 1538.80 o 7 19 3 25175.65 19367.00 816.27 o 9 19 3 12235.89 11182.74 542.94 o 1 21 3 51050.85 51266.02 807.56 o 3 21 3 15941.05 17190.86 788.23 o 5 21 3 54925.11 51378.41 1261.67 o 7 21 3 25201.79 24244.69 701.72 o 1 23 3 3639.22 4816.68 390.94 o 3 23 3 14116.45 12943.03 625.36 o 5 23 3 1334.30 1953.46 318.38 o 1 25 3 31376.53 30662.17 794.40 o 3 25 3 47159.88 46364.61 1281.33 o 0 0 4 19118.26 16995.71 487.76 o 4 0 4 1088.94 1768.34 248.09 o 8 0 4 172029.22 176126.58 4048.07 o 12 0 4 50971.16 48607.21 1355.65 o 2 2 4 188256.09 184804.98 2651.77 o 4 2 4 375434.09 382044.50 6821.59 o 6 2 4 263847.53 258442.91 4983.24 o 8 2 4 72498.86 69337.80 1301.64 o 10 2 4 57044.41 57756.55 1178.81 o 12 2 4 10602.85 10736.94 400.23 o 0 4 4 10083.55 10330.79 360.20 o 2 4 4 40490.28 38964.61 478.78 o 4 4 4 359923.91 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183311.81 3314.15 o 5 1 5 749988.75 742908.19 12644.73 o 7 1 5 52931.23 52411.36 981.81 o 9 1 5 67107.33 63756.38 1202.11 o 11 1 5 6390.00 6738.22 407.93 o 13 1 5 6232.79 6097.27 457.64 o 1 3 5 234122.73 230566.77 2124.37 o 3 3 5 137465.36 141649.91 2310.55 o 5 3 5 526220.81 536144.44 10163.53 o 7 3 5 328188.84 340786.56 6374.37 o 9 3 5 29791.36 28020.77 762.07 o 11 3 5 84541.68 87462.59 1961.46 o 13 3 5 766.85 658.70 401.47 o 1 5 5 114507.65 120375.85 994.24 o 3 5 5 31638.40 30147.93 398.23 o 5 5 5 33559.35 34381.52 718.57 o 7 5 5 318747.09 327705.44 6021.28 o 9 5 5 9303.16 10400.52 249.67 o 11 5 5 28035.37 29427.11 585.10 o 1 7 5 597298.44 593544.75 4961.59 o 3 7 5 118789.40 116229.67 1743.91 o 5 7 5 910.59 982.92 141.94 o 7 7 5 81401.14 92706.72 1488.74 o 9 7 5 37203.45 38171.96 784.63 o 11 7 5 31387.52 31577.56 630.98 o 1 9 5 37095.84 41925.13 491.88 o 3 9 5 59820.27 61218.29 767.60 o 5 9 5 321774.78 321575.75 4671.73 o 7 9 5 202154.59 198244.34 3477.98 o 9 9 5 99256.98 107186.88 1515.84 o 11 9 5 11514.34 13538.52 857.74 o 1 11 5 68281.29 72279.34 763.14 o 3 11 5 11001.92 10713.41 279.13 o 5 11 5 41190.26 38743.28 620.70 o 7 11 5 51431.00 51116.34 893.16 o 9 11 5 145493.78 153322.94 2188.22 o 11 11 5 13519.18 12596.74 472.82 o 1 13 5 109069.48 110305.25 1105.46 o 3 13 5 134715.91 137372.38 1327.35 o 5 13 5 405.64 1423.76 176.61 o 7 13 5 26953.42 25135.63 626.98 o 9 13 5 5680.72 5329.33 392.45 o 11 13 5 3423.55 3494.84 359.54 o 1 15 5 199884.91 200480.47 2112.39 o 3 15 5 296860.31 296351.16 3558.84 o 5 15 5 111361.51 114753.47 1853.46 o 7 15 5 133044.50 123115.47 1600.40 o 9 15 5 58338.93 56917.10 1363.38 o 1 17 5 123857.73 129983.81 1678.66 o 3 17 5 214867.33 217691.14 3296.52 o 5 17 5 33517.07 35121.92 1164.52 o 7 17 5 64214.25 66073.88 1243.71 o 9 17 5 13074.65 16300.05 574.78 o 1 19 5 33278.85 38394.04 592.05 o 3 19 5 49953.02 52451.59 802.36 o 5 19 5 106.14 742.31 221.48 o 7 19 5 6115.18 5759.43 643.17 o 9 19 5 3599.43 5291.19 424.00 o 1 21 5 2043.65 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39567.32 1174.28 o 1 9 33 6406.84 6310.73 607.76 o 3 9 33 2486.80 2567.75 437.51 o 5 9 33 2149.09 4613.74 750.26 o 1 11 33 50591.64 51582.21 1260.56 o 3 11 33 22236.31 23250.75 663.55 o 5 11 33 14995.61 13990.99 682.80 o 1 13 33 1922.17 3077.01 328.34 o 3 13 33 19955.18 22087.39 776.13 o 2 0 34 369642.97 404746.63 13473.37 o 6 0 34 39739.71 44848.05 1702.11 o 0 2 34 15707.78 16441.01 1032.06 o 2 2 34 903.53 819.73 321.91 o 4 2 34 1302.75 1410.65 334.02 o 6 2 34 2490.57 1861.87 467.85 o 2 4 34 95611.98 94559.42 2884.10 o 4 4 34 1708.06 1286.14 508.68 o 6 4 34 10892.95 9254.24 538.28 o 0 6 34 30549.50 37400.02 2592.74 o 2 6 34 3801.59 4103.05 562.82 o 4 6 34 5339.12 8672.20 460.38 o 6 6 34 3997.95 2313.54 491.17 o 2 8 34 3596.90 4256.84 353.24 o 4 8 34 931.23 138.64 420.89 o 0 10 34 2550.41 902.05 591.94 o 2 10 34 641.46 558.19 412.26 o 4 10 34 1344.25 2026.63 426.18 o 2 12 34 3865.12 2351.79 413.66 o 1 1 35 10688.86 11677.97 525.06 o 3 1 35 1766.86 2147.92 426.51 o 5 1 35 7210.60 8809.30 598.71 o 1 3 35 14552.80 15997.35 546.23 o 3 3 35 16040.02 17883.62 561.52 o 5 3 35 43.22 -513.63 408.27 o 1 5 35 3766.09 3813.76 399.18 o 3 5 35 2.53 632.36 483.01 o 5 5 35 1607.72 639.08 413.70 o 1 7 35 123083.24 130457.85 3689.86 o 3 7 35 83882.88 90633.16 1838.74 o 5 7 35 28058.05 31698.16 878.85 o 1 9 35 3867.01 3817.19 383.09 o 3 9 35 439.71 360.34 486.26 o 1 11 35 61958.49 59472.08 1856.29 o 3 11 35 29431.88 30655.72 1016.96 o 0 0 36 255457.19 270613.22 12917.97 o 4 0 36 75382.05 85411.01 3339.11 o 2 2 36 437.73 1083.47 491.75 o 4 2 36 4007.19 4699.58 449.08 o 0 4 36 71519.61 72610.23 2026.83 o 2 4 36 870.96 1176.94 471.28 o 4 4 36 21339.15 20872.09 980.46 o 2 6 36 10102.71 12005.64 630.66 o 4 6 36 10465.01 11899.15 758.04 o 0 8 36 5607.15 4342.39 681.22 o 2 8 36 6962.76 7857.79 476.48 o 4 8 36 130.60 356.91 387.61 o 2 10 36 1775.59 4352.08 572.81 o 1 1 37 3471.31 3580.04 508.51 o 3 1 37 9125.83 8243.87 492.67 o 1 3 37 15245.62 17082.80 765.53 o 3 3 37 40.35 508.51 513.88 o 1 5 37 206.78 231.05 434.37 o 3 5 37 3337.51 4349.97 489.99 o 1 7 37 23577.99 23446.29 1170.95 o 3 7 37 14058.50 13468.66 576.79 o 1 9 37 55.34 373.12 501.87 o 2 0 38 10450.36 8118.86 910.54 o 0 2 38 8224.64 6836.30 1339.85 o 2 2 38 5298.01 6231.60 500.72 o 2 4 38 6275.35 5724.68 515.43 o 0 6 38 3393.87 5089.04 757.76 o 2 6 38 15140.70 13085.04 655.04 o 1 1 39 9731.58 12070.61 585.35 o 1 3 39 654.97 1323.12 435.04 o 1 5 39 900.62 1035.10 433.65 o