#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2202025.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_2202025_Fobs loop_ _publ_author_name 'Burger, Sylvain' 'Therrien, Bruno' 'S\"uss-Fink, Georg' _publ_section_title ; Di-\m-iodo-bis[dicarbonylrhodium(I)] ; _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i53 _journal_page_last i54 _journal_volume 59 _journal_year 2003 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90.000 _cell_angle_beta 96.091 _cell_angle_gamma 90.000 _cell_length_a 9.4160 _cell_length_b 9.5890 _cell_length_c 11.3024 _exptl_crystal_F_000 1008.00 _reflns_d_resolution_high 0.8092 _[local]_cod_data_source_file lh6043Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' SB002 en P 21/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 329.96 _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+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-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 2 0 0 4706.39 4188.30 106.18 o 4 0 0 32005.69 28959.22 774.75 o 6 0 0 39349.81 37441.50 1010.72 o 8 0 0 6319.62 6195.62 330.99 o 10 0 0 335.88 295.96 63.28 o 1 1 0 17290.10 15401.34 805.54 o 2 1 0 12.47 53.34 29.34 o 3 1 0 37964.36 34511.05 1390.86 o 4 1 0 48304.93 43996.63 1616.16 o 5 1 0 2848.44 2538.83 94.25 o 6 1 0 12.59 157.46 81.46 o 7 1 0 8146.78 7502.32 80.41 o 8 1 0 15558.56 15263.36 281.41 o 9 1 0 4834.66 4713.27 74.04 o 10 1 0 4663.16 4966.46 175.67 o 11 1 0 2369.83 2437.91 150.87 o 0 2 0 1278.16 1443.94 118.49 o 1 2 0 1047.60 1436.72 149.45 o 2 2 0 1727.33 1570.61 36.76 o 3 2 0 381.64 558.15 111.35 o 4 2 0 5486.14 4596.91 221.24 o 5 2 0 29.04 83.04 25.25 o 6 2 0 23035.89 21359.85 244.95 o 7 2 0 34964.02 32689.37 456.27 o 8 2 0 1304.23 1359.55 38.63 o 9 2 0 743.66 758.57 40.21 o 10 2 0 4375.47 4761.67 70.28 o 11 2 0 494.18 536.42 61.96 o 1 3 0 49017.61 58867.57 2799.51 o 2 3 0 74970.80 76583.33 912.27 o 3 3 0 31711.51 29203.53 1076.95 o 4 3 0 11261.08 9810.90 425.01 o 5 3 0 719.45 753.63 31.31 o 6 3 0 26944.33 23741.43 874.16 o 7 3 0 5047.02 4778.28 134.39 o 8 3 0 1858.83 1756.24 66.15 o 9 3 0 925.49 853.59 46.95 o 10 3 0 2444.09 2388.56 60.14 o 11 3 0 383.27 309.92 60.73 o 0 4 0 4756.31 5723.20 226.84 o 1 4 0 1569.69 2029.67 252.09 o 2 4 0 1682.54 1679.76 44.23 o 3 4 0 5073.19 4420.18 159.79 o 4 4 0 1850.18 1666.89 64.17 o 5 4 0 39770.66 31302.13 4283.48 o 6 4 0 16998.97 15456.09 308.65 o 7 4 0 831.11 838.00 43.36 o 8 4 0 1579.73 1465.49 85.63 o 9 4 0 841.69 792.71 73.51 o 10 4 0 3068.23 3076.32 279.12 o 1 5 0 30599.83 37596.20 867.76 o 2 5 0 6272.04 7297.15 298.73 o 3 5 0 368.06 512.39 109.19 o 4 5 0 326.80 342.57 28.27 o 5 5 0 1153.86 1113.24 77.96 o 6 5 0 6325.05 5412.52 144.73 o 7 5 0 258.67 423.49 68.15 o 8 5 0 1386.76 1252.06 47.99 o 9 5 0 4387.96 4229.48 783.57 o 10 5 0 541.25 479.93 117.92 o 0 6 0 10020.62 11966.32 147.92 o 1 6 0 39143.52 51371.80 754.05 o 2 6 0 19246.88 22477.88 807.72 o 3 6 0 15092.35 16056.91 326.91 o 4 6 0 2819.00 2715.92 154.67 o 5 6 0 18658.18 16489.22 838.39 o 6 6 0 108.17 125.02 38.20 o 7 6 0 2154.60 2019.69 47.95 o 8 6 0 4600.67 4180.28 256.95 o 9 6 0 1.13 1.03 51.51 o 1 7 0 16284.64 20318.69 177.62 o 2 7 0 3535.24 4312.37 165.49 o 3 7 0 412.41 461.14 33.22 o 4 7 0 1113.65 1131.92 74.67 o 5 7 0 25343.24 23980.40 1642.28 o 6 7 0 787.52 646.14 39.19 o 7 7 0 21270.38 18064.40 674.36 o 8 7 0 1541.16 1296.90 102.15 o 9 7 0 7051.33 6430.11 856.78 o 0 8 0 20669.24 27497.45 444.58 o 1 8 0 10370.77 12650.52 354.61 o 2 8 0 7276.17 8114.43 306.17 o 3 8 0 2500.87 2702.49 66.88 o 4 8 0 81.52 83.53 35.08 o 5 8 0 5570.83 5621.72 533.64 o 6 8 0 1604.60 1383.71 157.44 o 7 8 0 386.24 372.48 41.19 o 8 8 0 5716.17 5363.74 620.57 o 1 9 0 16147.74 19909.92 605.69 o 2 9 0 14657.53 17577.16 819.12 o 3 9 0 9.90 17.80 34.88 o 4 9 0 149.21 162.08 32.23 o 5 9 0 2278.30 2287.94 260.23 o 6 9 0 212.36 175.56 43.24 o 7 9 0 1348.19 1315.47 207.05 o 0 10 0 7883.34 10121.78 224.49 o 1 10 0 19.50 29.94 70.49 o 2 10 0 2394.81 2904.55 229.42 o 3 10 0 2046.69 2326.21 208.84 o 4 10 0 1621.77 1596.31 186.59 o 5 10 0 4977.02 4706.02 651.22 o 6 10 0 11316.68 12508.74 2810.29 o 1 11 0 2360.26 2880.23 89.90 o 2 11 0 8890.51 10366.79 592.55 o 3 11 0 11.41 46.17 56.60 o 4 11 0 2329.48 2399.39 228.41 o -11 0 1 4020.35 4085.01 99.82 o -9 0 1 883.17 769.33 65.19 o -7 0 1 3062.68 2937.57 72.99 o -5 0 1 2475.68 2305.80 64.10 o -3 0 1 74147.60 80141.55 4588.88 o 1 0 1 69893.72 51930.15 1177.88 o 3 0 1 21055.23 18319.24 222.14 o 5 0 1 64843.23 60619.59 2195.32 o 7 0 1 405.61 355.02 48.41 o 9 0 1 20271.75 20057.84 337.18 o 11 0 1 17.67 32.37 78.69 o -11 1 1 1.36 27.62 55.23 o -10 1 1 16054.73 17324.63 265.81 o -9 1 1 3570.24 3680.70 106.57 o -8 1 1 6096.52 5963.99 115.58 o -7 1 1 853.83 868.05 31.74 o -6 1 1 188.78 212.50 32.03 o -5 1 1 26333.88 24670.11 667.06 o -4 1 1 30827.82 28513.71 910.22 o -3 1 1 33728.93 33560.72 1202.08 o -2 1 1 43596.77 45137.56 1973.78 o -1 1 1 33183.57 40755.92 577.03 o 0 1 1 7213.44 6295.46 172.51 o 1 1 1 461.58 380.99 33.70 o 2 1 1 4453.99 3681.60 168.49 o 3 1 1 2513.12 2192.76 111.63 o 4 1 1 5498.13 4522.25 180.64 o 5 1 1 7.68 202.50 111.37 o 6 1 1 6704.54 6118.05 75.47 o 7 1 1 2154.76 1993.12 46.70 o 8 1 1 4281.23 4207.30 119.31 o 9 1 1 14039.12 14234.21 447.07 o 10 1 1 259.89 245.41 44.03 o 11 1 1 3034.43 3122.92 152.14 o -11 2 1 909.07 980.05 56.23 o -10 2 1 14.27 121.53 49.19 o -9 2 1 19221.13 19840.31 581.86 o -8 2 1 14178.81 14170.42 402.98 o -7 2 1 1309.11 1195.71 35.61 o -6 2 1 20360.95 18944.36 424.78 o -5 2 1 10.32 66.88 26.28 o -4 2 1 48609.35 44156.16 2567.04 o -3 2 1 16084.97 14518.04 630.63 o -2 2 1 30458.80 33572.26 1680.94 o -1 2 1 217.63 382.72 66.55 o 0 2 1 3487.54 3580.47 77.25 o 1 2 1 1095.91 1028.90 40.71 o 2 2 1 79536.90 78541.34 2076.17 o 3 2 1 32408.33 27513.95 579.86 o 4 2 1 3586.56 3221.92 236.26 o 5 2 1 1555.05 1373.95 51.29 o 6 2 1 7398.69 6651.41 76.86 o 7 2 1 14149.21 13712.67 172.74 o 8 2 1 5949.50 5853.15 162.22 o 9 2 1 899.86 859.11 47.92 o 10 2 1 242.59 381.49 97.71 o 11 2 1 951.36 1022.19 62.49 o -11 3 1 608.19 571.85 96.32 o -10 3 1 1062.35 1084.80 85.70 o -9 3 1 1113.82 1140.47 55.71 o -8 3 1 2.31 24.48 47.80 o -7 3 1 187.07 393.13 77.06 o -6 3 1 1428.98 1502.86 202.45 o -5 3 1 22051.26 20421.69 818.32 o -4 3 1 263.75 318.91 42.63 o -3 3 1 19707.76 17903.26 960.01 o -2 3 1 15353.38 15573.35 692.89 o -1 3 1 366.01 408.38 45.50 o 0 3 1 13055.05 15054.65 422.36 o 1 3 1 7167.48 7541.80 117.61 o 2 3 1 70930.43 71210.66 598.04 o 3 3 1 108875.84 103787.96 2575.49 o 4 3 1 4452.53 3910.30 145.47 o 5 3 1 27292.05 24079.53 481.21 o 6 3 1 23135.43 20844.72 401.35 o 7 3 1 506.01 484.15 31.08 o 8 3 1 6087.55 5709.77 74.31 o 9 3 1 2575.34 2621.01 68.71 o 10 3 1 494.23 520.59 48.48 o 11 3 1 1977.33 1829.17 174.83 o -10 4 1 1503.36 1445.11 201.56 o -9 4 1 181.80 203.26 63.69 o -8 4 1 16.11 37.27 37.42 o -7 4 1 20087.75 18637.85 789.16 o -6 4 1 3491.33 3191.91 60.88 o -5 4 1 291.00 340.46 29.06 o -4 4 1 13664.59 12300.10 819.99 o -3 4 1 23116.72 21603.47 843.78 o -2 4 1 39184.86 44328.32 4086.64 o -1 4 1 19147.90 23207.14 1356.92 o 0 4 1 3065.84 3414.57 95.88 o 1 4 1 7781.53 8255.03 193.31 o 2 4 1 47272.25 49224.37 1117.32 o 3 4 1 3046.87 3043.55 220.21 o 4 4 1 19583.28 18216.64 600.23 o 5 4 1 2014.66 1503.11 258.56 o 6 4 1 1856.11 1757.03 44.99 o 7 4 1 1096.43 1049.23 32.74 o 8 4 1 8028.14 7333.95 348.07 o 9 4 1 4371.49 4021.02 174.27 o 10 4 1 20872.56 20795.42 708.88 o -10 5 1 1235.31 1096.71 266.75 o -9 5 1 3869.26 3740.30 638.97 o -8 5 1 9.16 74.17 46.96 o -7 5 1 4531.40 4167.70 54.54 o -6 5 1 51.96 59.67 29.48 o -5 5 1 38469.24 34885.91 1114.68 o -4 5 1 27197.82 25442.14 1223.35 o -3 5 1 50.39 89.54 24.88 o -2 5 1 23641.23 26138.95 2027.70 o -1 5 1 646.53 678.03 50.83 o 0 5 1 900.66 1008.51 36.39 o 1 5 1 58360.06 71646.80 821.49 o 2 5 1 6383.20 7013.94 187.74 o 3 5 1 6196.59 5953.47 138.70 o 4 5 1 333.32 289.48 29.63 o 5 5 1 958.33 887.75 32.43 o 6 5 1 1191.27 1156.74 70.26 o 7 5 1 11950.17 11060.01 200.62 o 8 5 1 136.12 129.22 36.10 o 9 5 1 2922.29 2702.72 458.04 o 10 5 1 1054.54 860.90 204.08 o -9 6 1 10552.18 10681.10 1537.06 o -8 6 1 53.58 71.02 60.26 o -7 6 1 381.46 359.69 41.97 o -6 6 1 1180.53 1097.88 39.93 o -5 6 1 6377.89 6051.26 375.39 o -4 6 1 10256.53 9950.19 531.78 o -3 6 1 36506.04 37981.04 2144.28 o -2 6 1 449.53 498.59 37.95 o -1 6 1 170.71 316.43 48.28 o 0 6 1 24532.88 33263.51 1022.69 o 1 6 1 87.61 172.00 40.96 o 2 6 1 7176.77 8268.02 189.97 o 3 6 1 6748.08 7559.36 286.48 o 4 6 1 55902.61 54839.89 1751.75 o 5 6 1 651.91 647.84 36.12 o 6 6 1 2652.21 2430.15 124.81 o 7 6 1 1213.23 1085.83 68.31 o 8 6 1 2190.99 2003.10 55.81 o 9 6 1 116.49 54.34 47.79 o -9 7 1 42.97 43.42 64.28 o -8 7 1 17350.98 16114.15 1861.85 o -7 7 1 321.45 281.89 36.97 o -6 7 1 8481.75 7927.96 650.58 o -5 7 1 172.51 173.02 41.50 o -4 7 1 4764.96 4864.00 382.45 o -3 7 1 259.08 342.05 27.85 o -2 7 1 7862.60 8905.24 492.22 o -1 7 1 3477.35 4512.93 187.38 o 0 7 1 14379.15 18544.18 479.83 o 1 7 1 24.89 50.85 34.04 o 2 7 1 1080.55 1248.74 40.47 o 3 7 1 1308.46 1364.57 34.83 o 4 7 1 5866.01 5835.17 193.71 o 5 7 1 1033.49 913.74 56.44 o 6 7 1 153.02 134.12 37.15 o 7 7 1 1021.33 965.15 42.05 o 8 7 1 21757.16 19189.11 377.82 o 9 7 1 661.48 529.92 58.10 o -8 8 1 2952.86 2884.79 546.73 o -7 8 1 1994.70 2074.36 260.78 o -6 8 1 273.62 220.86 34.59 o -5 8 1 2144.22 2015.80 234.48 o -4 8 1 267.22 247.31 35.54 o -3 8 1 32891.14 34327.67 7134.83 o -2 8 1 4975.92 5905.35 256.46 o -1 8 1 249.42 374.63 41.63 o 0 8 1 3665.77 4796.24 72.07 o 1 8 1 3871.17 4706.64 98.37 o 2 8 1 183.85 310.72 118.36 o 3 8 1 875.64 984.03 41.50 o 4 8 1 26618.81 28620.17 1577.51 o 5 8 1 344.49 315.13 80.70 o 6 8 1 599.92 462.79 57.07 o 7 8 1 1627.67 1314.38 99.54 o 8 8 1 625.47 379.22 257.09 o -7 9 1 337.05 350.12 98.56 o -6 9 1 2769.89 2743.59 430.66 o -5 9 1 2745.66 2467.15 356.91 o -4 9 1 12167.57 12298.20 1524.46 o -3 9 1 151.70 94.57 37.54 o -2 9 1 14333.72 16966.49 738.73 o -1 9 1 3872.83 4846.73 413.12 o 0 9 1 5915.77 7706.19 499.63 o 1 9 1 21432.37 27565.02 1538.73 o 2 9 1 2733.30 3351.54 150.54 o 3 9 1 43.14 76.32 37.78 o 4 9 1 2510.69 2491.23 206.99 o 5 9 1 24.13 61.96 38.77 o 6 9 1 619.45 504.17 42.69 o 7 9 1 8607.11 8246.23 848.44 o -6 10 1 804.10 786.45 122.26 o -5 10 1 1452.03 1228.77 237.23 o -4 10 1 1685.87 1711.12 321.61 o -3 10 1 1106.37 1296.21 184.76 o -2 10 1 6483.28 7447.00 368.78 o -1 10 1 4603.13 5445.23 321.42 o 0 10 1 3873.00 4604.59 330.11 o 1 10 1 486.98 529.46 46.28 o 2 10 1 6699.12 7757.44 184.89 o 3 10 1 5.44 43.91 46.57 o 4 10 1 1938.71 1859.61 215.62 o 5 10 1 4771.81 4631.19 608.97 o 6 10 1 2.52 35.50 98.52 o -4 11 1 522.46 546.79 113.27 o -3 11 1 4490.28 4827.01 508.21 o -2 11 1 1.02 35.85 61.77 o -1 11 1 179.25 171.78 86.52 o 0 11 1 3863.40 4741.95 113.93 o 1 11 1 80.63 79.28 87.44 o 2 11 1 2040.97 2041.44 67.81 o 3 11 1 17633.80 19275.37 949.00 o 4 11 1 632.54 490.67 74.40 o -10 0 2 10407.35 10975.80 768.63 o -8 0 2 5235.93 5163.41 154.65 o -6 0 2 39964.60 41821.34 761.74 o -4 0 2 545.81 895.08 288.86 o 0 0 2 33665.62 28139.28 410.40 o 2 0 2 15690.74 12407.14 648.66 o 4 0 2 336.63 353.81 64.46 o 6 0 2 16510.55 14733.17 156.24 o 8 0 2 26978.45 27820.66 1251.35 o 10 0 2 254.50 235.32 69.38 o -11 1 2 7172.19 7815.61 177.56 o -10 1 2 32.06 33.24 46.08 o -9 1 2 83.73 188.26 42.67 o -8 1 2 504.27 520.52 32.45 o -7 1 2 4397.90 4539.58 111.36 o -6 1 2 419.38 470.11 32.86 o -5 1 2 16100.83 15828.91 597.24 o -4 1 2 31910.17 31818.63 1068.79 o -3 1 2 2143.10 2305.78 60.20 o -2 1 2 65292.28 88110.59 1447.26 o -1 1 2 58851.64 70990.55 1826.55 o 0 1 2 13416.98 9353.98 206.45 o 1 1 2 3006.91 2449.13 56.88 o 2 1 2 38.01 155.45 62.84 o 3 1 2 1632.47 1375.79 61.46 o 4 1 2 7036.04 5825.88 124.70 o 5 1 2 75051.13 70419.32 1779.15 o 6 1 2 1093.29 1032.37 38.68 o 7 1 2 3276.23 3223.88 127.95 o 8 1 2 2584.02 2554.56 58.31 o 9 1 2 426.82 427.01 43.22 o 10 1 2 300.72 332.48 44.03 o 11 1 2 6094.91 7046.89 389.35 o -11 2 2 750.92 757.08 58.91 o -10 2 2 3880.86 4152.43 207.98 o -9 2 2 79.94 101.53 42.84 o -8 2 2 4461.94 4440.01 115.81 o -7 2 2 35610.06 35942.60 1854.83 o -6 2 2 160.15 369.45 76.41 o -5 2 2 23645.00 22576.21 1405.42 o -4 2 2 336.41 375.34 48.67 o -3 2 2 28981.03 29104.12 1175.79 o -2 2 2 5668.80 6038.04 141.52 o -1 2 2 85501.56 105237.79 1249.04 o 0 2 2 418.90 405.81 47.98 o 1 2 2 103034.62 107822.79 898.51 o 2 2 2 2083.35 1841.90 58.17 o 3 2 2 13028.59 11010.65 273.69 o 4 2 2 50123.34 42040.60 1740.95 o 5 2 2 3.26 20.86 33.74 o 6 2 2 17769.21 16588.18 229.59 o 7 2 2 9565.42 9366.14 265.85 o 8 2 2 4140.61 4327.53 144.60 o 9 2 2 4054.20 4267.23 131.82 o 10 2 2 14.39 1.37 46.47 o 11 2 2 157.91 169.00 61.71 o -11 3 2 3475.80 3413.62 370.54 o -10 3 2 2095.51 2068.38 205.96 o -9 3 2 1387.65 1457.37 119.06 o -8 3 2 26336.37 25952.72 1634.55 o -7 3 2 18298.85 18204.88 1561.84 o -6 3 2 12092.79 11784.38 785.29 o -5 3 2 9.35 16.26 26.94 o -4 3 2 200.98 191.03 24.27 o -3 3 2 3378.01 3113.24 139.86 o -2 3 2 2723.50 2803.22 172.95 o -1 3 2 1287.50 1383.44 85.59 o 0 3 2 60744.25 67792.23 1322.25 o 1 3 2 11188.36 10403.64 116.79 o 2 3 2 31615.61 28967.34 452.02 o 3 3 2 1022.54 907.58 31.63 o 4 3 2 13.20 706.23 294.88 o 5 3 2 7757.01 6858.04 65.78 o 6 3 2 1665.07 1618.34 44.83 o 7 3 2 9917.55 9424.85 110.74 o 8 3 2 604.75 615.71 39.15 o 9 3 2 1563.79 1519.66 46.49 o 10 3 2 62.21 66.23 45.50 o -10 4 2 89.81 26.86 42.83 o -9 4 2 465.04 385.27 70.27 o -8 4 2 4836.51 4788.40 443.26 o -7 4 2 11008.02 10754.03 610.98 o -6 4 2 1945.26 1966.74 40.15 o -5 4 2 5037.71 4533.87 58.53 o -4 4 2 15280.62 14541.09 822.55 o -3 4 2 32175.71 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