#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/92/2209284.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_2209284_Fobs loop_ _publ_author_name 'Sun, Bai-Wang' 'Liu, Hui' 'Yang, Guo-Ying' 'Ang, Siau Gek' 'Ang, How Ghee' _publ_section_title ; Bis[1,3-bis(pentafluorophenyl)triazenido]tricarbonylosmium(II) ; _journal_coeditor_code RN6079 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1329 _journal_page_last m1331 _journal_volume 62 _journal_year 2006 _space_group_IT_number 19 _symmetry_space_group_name_Hall 'P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 12.4352 _cell_length_b 14.7412 _cell_length_c 16.5795 _exptl_crystal_F_000 1936.00 _reflns_d_resolution_high 0.7696 _[local]_cod_data_source_file rn6079Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' sbw171m in P2(1)2(1)2(1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 325.31 _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' 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 43476.88 48337.09 1552.65 o 4 0 0 29997.50 32850.11 1374.18 o 6 0 0 1045.19 1226.53 65.38 o 8 0 0 5859.67 5847.84 261.24 o 10 0 0 9375.15 8682.75 381.54 o 12 0 0 8118.61 8506.82 613.44 o 14 0 0 10633.24 10516.30 756.59 o 16 0 0 4345.21 4441.00 374.53 o 1 1 0 8341.29 7014.29 485.28 o 2 1 0 43668.08 45366.11 1161.22 o 3 1 0 7008.37 7522.05 221.22 o 4 1 0 24284.75 25443.79 737.61 o 5 1 0 13383.02 14190.39 416.01 o 6 1 0 28994.48 30007.01 770.96 o 7 1 0 6813.01 7389.01 227.91 o 8 1 0 24601.72 25140.24 750.16 o 9 1 0 859.03 804.39 39.68 o 10 1 0 6420.66 6517.87 250.60 o 11 1 0 399.54 369.56 54.92 o 12 1 0 41.61 44.84 40.86 o 13 1 0 174.72 135.91 52.06 o 14 1 0 195.30 273.06 63.11 o 15 1 0 527.39 596.50 83.23 o 16 1 0 2501.21 2569.47 179.51 o 0 2 0 73458.71 77847.50 3256.32 o 1 2 0 258.51 380.05 33.16 o 2 2 0 105828.33 101903.44 2953.26 o 3 2 0 20614.70 22177.07 567.05 o 4 2 0 21463.19 23570.64 603.09 o 5 2 0 26804.04 27656.49 708.69 o 6 2 0 2138.94 2228.14 64.88 o 7 2 0 8910.50 9103.01 240.27 o 8 2 0 9978.00 9985.52 297.49 o 9 2 0 1921.04 2005.07 123.90 o 10 2 0 13061.06 13278.79 485.95 o 11 2 0 247.74 150.99 42.12 o 12 2 0 18787.71 18607.04 900.77 o 13 2 0 29.73 69.43 52.45 o 14 2 0 9249.92 9400.38 484.26 o 15 2 0 39.59 46.28 52.70 o 16 2 0 3025.97 3110.74 204.08 o 1 3 0 29304.25 31893.17 940.81 o 2 3 0 535.26 573.42 19.37 o 3 3 0 29272.07 32580.80 942.39 o 4 3 0 10394.11 10941.45 321.95 o 5 3 0 4047.36 4084.04 126.31 o 6 3 0 28031.31 30802.02 893.37 o 7 3 0 2607.21 2642.83 76.24 o 8 3 0 13007.89 13328.84 347.68 o 9 3 0 2877.49 2937.59 100.73 o 10 3 0 4761.81 4815.50 155.39 o 11 3 0 1611.71 1556.08 110.77 o 12 3 0 232.94 221.41 37.65 o 13 3 0 4110.31 4009.12 231.57 o 14 3 0 833.25 933.29 94.79 o 15 3 0 2271.57 2177.16 156.03 o 0 4 0 13614.26 16141.64 678.53 o 1 4 0 51587.56 53666.05 1584.89 o 2 4 0 40197.70 44427.51 1233.88 o 3 4 0 7021.25 7493.62 196.49 o 4 4 0 9865.08 10852.30 281.94 o 5 4 0 4002.36 3939.10 123.94 o 6 4 0 913.55 937.14 40.14 o 7 4 0 24392.96 25132.84 732.99 o 8 4 0 1273.33 1124.79 49.15 o 9 4 0 4900.43 5063.77 162.23 o 10 4 0 5653.23 5477.65 175.53 o 11 4 0 4369.53 4243.96 143.09 o 12 4 0 8217.99 8316.68 321.12 o 13 4 0 4.43 24.10 44.70 o 14 4 0 3912.23 3963.48 234.11 o 15 4 0 976.07 867.09 94.90 o 1 5 0 4191.96 4078.42 125.77 o 2 5 0 28118.71 29036.50 809.61 o 3 5 0 14283.36 15837.31 410.41 o 4 5 0 16166.73 16921.10 437.53 o 5 5 0 3501.92 3208.71 103.54 o 6 5 0 1417.80 1288.49 51.28 o 7 5 0 38.98 16.66 15.40 o 8 5 0 6596.57 6732.96 209.77 o 9 5 0 8379.99 8278.86 255.71 o 10 5 0 1795.46 1720.94 87.78 o 11 5 0 14444.56 14411.93 435.13 o 12 5 0 884.04 857.85 62.19 o 13 5 0 7945.06 8423.45 327.62 o 14 5 0 91.12 56.94 53.26 o 15 5 0 3125.75 3154.11 216.39 o 0 6 0 7321.39 7454.00 321.97 o 1 6 0 4052.06 4414.85 153.73 o 2 6 0 4037.97 4150.13 129.72 o 3 6 0 8446.62 8871.32 253.26 o 4 6 0 323.74 347.02 17.17 o 5 6 0 32704.43 33930.85 871.88 o 6 6 0 1166.16 1161.44 48.77 o 7 6 0 26833.70 28189.39 828.30 o 8 6 0 409.26 430.95 30.95 o 9 6 0 8299.20 7816.74 326.85 o 10 6 0 1320.49 1274.97 59.25 o 11 6 0 3804.19 3714.26 130.32 o 12 6 0 33.82 70.35 28.44 o 13 6 0 22.38 16.25 28.40 o 14 6 0 776.27 701.95 85.42 o 15 6 0 2247.71 2339.85 167.93 o 1 7 0 21429.77 22056.17 737.98 o 2 7 0 150.56 187.94 22.92 o 3 7 0 24893.92 25185.88 706.63 o 4 7 0 150.24 189.54 14.11 o 5 7 0 6101.13 6461.20 174.77 o 6 7 0 692.63 591.47 45.13 o 7 7 0 226.29 203.76 23.23 o 8 7 0 268.74 297.38 27.96 o 9 7 0 3846.58 3603.29 124.65 o 10 7 0 159.10 153.13 27.44 o 11 7 0 11112.46 11364.38 350.26 o 12 7 0 861.75 870.81 52.94 o 13 7 0 9395.69 9850.05 311.71 o 14 7 0 0.24 -3.51 41.37 o 15 7 0 3505.28 3506.22 322.52 o 0 8 0 7990.09 8416.82 363.90 o 1 8 0 35.12 63.29 14.19 o 2 8 0 445.86 396.48 26.59 o 3 8 0 11762.95 12148.36 317.09 o 4 8 0 1013.72 1082.20 41.30 o 5 8 0 18678.37 18803.28 490.84 o 6 8 0 1803.15 1726.90 85.38 o 7 8 0 28585.70 28788.00 988.11 o 8 8 0 17.13 34.96 24.61 o 9 8 0 8951.98 9358.58 290.79 o 10 8 0 215.26 223.32 33.16 o 11 8 0 2826.20 2719.00 126.86 o 12 8 0 299.21 195.56 39.58 o 13 8 0 42.90 19.81 46.69 o 14 8 0 189.69 221.06 44.83 o 1 9 0 34660.40 36145.00 1204.51 o 2 9 0 480.13 492.94 30.81 o 3 9 0 15131.06 14922.64 425.25 o 4 9 0 111.44 131.01 19.28 o 5 9 0 2795.50 2842.09 92.49 o 6 9 0 349.80 335.15 34.35 o 7 9 0 624.78 733.40 74.02 o 8 9 0 3101.31 2989.54 120.80 o 9 9 0 2918.86 2787.38 116.23 o 10 9 0 994.23 980.80 61.51 o 11 9 0 4552.01 4692.97 192.43 o 12 9 0 3.23 -15.64 31.28 o 13 9 0 5267.67 5277.16 205.40 o 14 9 0 71.58 77.82 39.95 o 0 10 0 13797.55 15262.88 501.34 o 1 10 0 311.90 312.35 25.03 o 2 10 0 8328.01 7512.54 262.88 o 3 10 0 3366.83 3408.20 108.72 o 4 10 0 1158.18 1118.64 47.15 o 5 10 0 12441.99 12487.93 396.17 o 6 10 0 583.20 548.47 41.71 o 7 10 0 12410.24 12596.60 428.43 o 8 10 0 546.34 538.81 45.56 o 9 10 0 5036.85 4972.86 187.83 o 10 10 0 1609.22 1529.17 81.62 o 11 10 0 231.19 178.93 38.88 o 12 10 0 1532.41 1630.55 88.57 o 13 10 0 1.82 -17.79 35.59 o 1 11 0 19024.50 18853.76 738.23 o 2 11 0 1396.01 1261.77 108.74 o 3 11 0 2456.23 2459.39 85.21 o 4 11 0 6096.24 6033.18 183.67 o 5 11 0 238.97 225.68 61.35 o 6 11 0 5811.54 5556.44 204.18 o 7 11 0 2399.00 2155.11 97.58 o 8 11 0 3889.06 3795.48 150.75 o 9 11 0 2395.43 2456.01 110.78 o 10 11 0 1980.83 1724.43 90.09 o 11 11 0 1593.11 1676.04 89.80 o 12 11 0 327.64 299.48 47.33 o 13 11 0 2808.29 3041.61 136.73 o 0 12 0 17310.15 16289.92 909.95 o 1 12 0 172.43 299.33 38.23 o 2 12 0 9208.57 9171.27 372.54 o 3 12 0 1646.80 1397.62 65.89 o 4 12 0 2824.91 2694.44 92.56 o 5 12 0 4891.17 4960.09 217.27 o 6 12 0 322.67 306.03 46.03 o 7 12 0 1357.95 1447.01 77.02 o 8 12 0 2065.95 2161.05 101.79 o 9 12 0 2062.16 1984.71 98.93 o 10 12 0 2237.63 2082.15 103.52 o 11 12 0 197.94 214.11 42.47 o 12 12 0 1911.58 2003.18 104.70 o 1 13 0 2124.37 1916.97 102.97 o 2 13 0 3682.20 3489.59 129.26 o 3 13 0 1920.61 1985.21 85.71 o 4 13 0 7685.52 7285.07 299.76 o 5 13 0 785.90 782.65 66.38 o 6 13 0 6524.96 6809.12 595.12 o 7 13 0 267.02 254.64 48.29 o 8 13 0 4767.15 4756.26 186.34 o 9 13 0 142.73 215.42 44.11 o 10 13 0 1012.17 1051.45 72.85 o 11 13 0 168.50 213.90 48.01 o 0 14 0 8554.36 8554.00 500.81 o 1 14 0 1.05 28.40 33.03 o 2 14 0 6232.29 5881.60 203.97 o 3 14 0 140.48 208.02 33.05 o 4 14 0 2948.56 2966.87 147.77 o 5 14 0 97.50 81.17 41.16 o 6 14 0 554.11 499.84 59.40 o 7 14 0 162.68 200.78 50.86 o 8 14 0 695.12 691.24 99.73 o 9 14 0 238.19 188.48 50.66 o 10 14 0 2600.31 2468.91 181.68 o 11 14 0 46.39 13.93 45.58 o 1 15 0 157.86 100.81 38.67 o 2 15 0 2237.74 2158.92 97.97 o 3 15 0 1.46 -17.46 34.92 o 4 15 0 4212.53 4323.07 215.26 o 5 15 0 218.27 194.94 86.73 o 6 15 0 5702.30 6162.30 269.73 o 7 15 0 79.04 64.99 49.81 o 8 15 0 4184.56 3929.92 190.51 o 9 15 0 0.66 36.57 47.89 o 10 15 0 1225.43 1308.78 99.84 o 0 16 0 4610.71 4292.69 280.28 o 1 16 0 114.28 105.58 49.97 o 2 16 0 4856.90 4695.30 173.06 o 3 16 0 61.07 99.11 42.52 o 4 16 0 2692.84 2726.01 144.41 o 5 16 0 382.20 285.89 56.31 o 6 16 0 337.43 278.18 59.09 o 7 16 0 208.24 169.39 56.37 o 8 16 0 421.75 466.20 69.32 o 1 17 0 571.79 616.36 52.82 o 2 17 0 433.46 475.21 62.56 o 3 17 0 691.88 709.51 82.16 o 4 17 0 1780.37 1985.55 123.06 o 5 17 0 33.11 27.72 47.42 o 6 17 0 3598.69 3756.43 195.86 o 7 17 0 24.65 63.08 50.02 o 0 18 0 2357.44 2404.65 192.59 o 1 18 0 8.18 7.87 43.74 o 2 18 0 1823.67 1658.56 108.92 o 3 18 0 498.62 543.90 70.70 o 4 18 0 504.07 557.07 70.65 o 5 18 0 1102.83 1257.48 97.54 o 1 19 0 821.29 782.37 77.82 o 2 19 0 448.89 472.65 68.95 o 2 0 1 3974.73 4178.48 123.70 o 3 0 1 21991.54 22520.46 1478.12 o 4 0 1 11412.67 12355.63 369.64 o 5 0 1 38701.43 40706.89 1204.12 o 6 0 1 7328.11 6715.34 206.55 o 7 0 1 20385.37 20793.90 621.65 o 8 0 1 10051.99 10323.08 316.44 o 9 0 1 13440.21 13344.64 406.54 o 10 0 1 2616.43 2611.18 93.36 o 11 0 1 2464.28 2165.82 139.21 o 12 0 1 39.93 42.75 42.36 o 13 0 1 861.75 751.48 80.82 o 14 0 1 80.17 71.30 51.97 o 15 0 1 360.25 426.90 75.98 o 16 0 1 916.88 917.48 104.19 o -16 1 1 1652.68 1801.66 146.32 o -15 1 1 3754.95 3612.91 221.96 o -14 1 1 4181.16 4270.23 237.76 o -13 1 1 6362.23 6057.34 324.72 o -12 1 1 6093.55 5952.55 279.28 o -11 1 1 5375.53 5255.25 306.11 o -10 1 1 2556.25 2598.09 109.89 o -9 1 1 11862.12 11912.11 502.15 o -8 1 1 2489.18 2481.15 95.54 o -7 1 1 321.40 319.22 20.54 o -6 1 1 6583.60 7297.31 177.40 o -5 1 1 1334.13 1205.31 47.89 o -4 1 1 15941.70 16535.37 535.74 o -3 1 1 22148.95 23874.86 700.70 o -2 1 1 19094.64 19633.56 500.86 o -1 1 1 57979.74 53362.54 2467.76 o 0 1 1 25841.72 3.95 2.90 o 1 1 1 63572.46 64105.29 2617.46 o 2 1 1 18442.86 19661.60 573.92 o 3 1 1 22507.47 24462.67 619.68 o 4 1 1 19693.89 20025.82 473.53 o 5 1 1 1760.99 1720.64 70.69 o 6 1 1 5254.69 5914.65 199.13 o 7 1 1 306.02 315.66 27.08 o 8 1 1 3582.04 3338.55 98.74 o 9 1 1 10540.56 10722.45 384.83 o 10 1 1 2514.53 2433.73 110.34 o 11 1 1 6535.58 6533.55 239.45 o 12 1 1 4498.17 4314.02 270.25 o 13 1 1 5797.55 6088.36 325.86 o 14 1 1 3936.16 3805.67 234.70 o 15 1 1 3698.41 3575.23 221.22 o 16 1 1 1773.36 1921.38 149.17 o -16 2 1 975.49 968.75 106.11 o -15 2 1 1251.48 1255.08 111.44 o -14 2 1 1048.41 935.25 205.27 o -13 2 1 1404.41 1454.20 113.81 o -12 2 1 325.59 294.18 57.44 o -11 2 1 3623.73 3728.90 157.50 o -10 2 1 4088.69 4010.61 161.31 o -9 2 1 14320.00 14996.86 436.11 o -8 2 1 14429.53 14450.36 448.17 o -7 2 1 18634.54 18735.44 544.78 o -6 2 1 17957.67 18095.35 483.32 o -5 2 1 27739.59 29490.43 740.33 o -4 2 1 4829.77 4856.53 126.90 o -3 2 1 22227.26 23331.22 586.88 o -2 2 1 3771.25 3906.86 114.49 o -1 2 1 16649.56 17698.68 458.76 o 0 2 1 9935.89 10430.90 628.76 o 1 2 1 17725.56 19258.12 780.18 o 2 2 1 3191.76 3380.88 108.08 o 3 2 1 21160.85 22126.90 659.72 o 4 2 1 4575.11 4694.34 145.46 o 5 2 1 26656.87 28259.56 740.02 o 6 2 1 19027.14 19443.13 482.27 o 7 2 1 18472.90 18594.20 481.82 o 8 2 1 15967.15 15753.46 395.53 o 9 2 1 12670.94 13182.83 690.62 o 10 2 1 4040.82 3862.21 215.28 o 11 2 1 3901.67 3969.49 207.02 o 12 2 1 403.39 375.47 59.44 o 13 2 1 1443.04 1370.33 111.36 o 14 2 1 1060.08 859.56 91.96 o 15 2 1 961.26 1042.85 106.51 o 16 2 1 1006.83 1022.95 107.79 o -15 3 1 3269.65 3154.87 203.23 o -14 3 1 1737.86 1539.90 121.66 o -13 3 1 6098.98 6192.99 317.07 o -12 3 1 6690.94 6228.84 307.65 o -11 3 1 6684.08 6627.28 344.60 o -10 3 1 5860.06 5344.75 302.09 o -9 3 1 1246.27 1163.73 53.73 o -8 3 1 9178.08 9151.36 247.42 o -7 3 1 3370.70 3336.20 99.04 o -6 3 1 2082.68 2143.93 80.99 o -5 3 1 9730.05 9903.80 241.36 o -4 3 1 37659.14 38508.04 1100.69 o -3 3 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