#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2210652.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_2210652_Fobs loop_ _publ_author_name 'Meijboom, Reinout' 'Janse van Rensburg, J. Marthinus' 'Kirsten, Leo' 'Viljoen, J. Augustinus' _publ_section_title ; Tetrakis(triphenylarsine)silver(I) hexafluorophosphate ; _journal_coeditor_code HG2108 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2567 _journal_page_last m2569 _journal_volume 62 _journal_year 2006 _space_group_IT_number 148 _symmetry_space_group_name_Hall '-R 3' _symmetry_space_group_name_H-M 'R -3 :H' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 14.2760 _cell_length_b 14.2760 _cell_length_c 51.4210 _exptl_crystal_F_000 4440.00 _reflns_d_resolution_high 0.7509 _[local]_cod_data_source_file hg2108Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 6frm22_0m in R-3' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1331.23 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' 'x+2/3, y+1/3, z+1/3' '-y+2/3, x-y+1/3, z+1/3' '-x+y+2/3, -x+1/3, z+1/3' 'x+1/3, y+2/3, z+2/3' '-y+1/3, x-y+2/3, z+2/3' '-x+y+1/3, -x+2/3, z+2/3' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' '-x+2/3, -y+1/3, -z+1/3' 'y+2/3, -x+y+1/3, -z+1/3' 'x-y+2/3, x+1/3, -z+1/3' '-x+1/3, -y+2/3, -z+2/3' 'y+1/3, -x+y+2/3, -z+2/3' 'x-y+1/3, x+2/3, -z+2/3' 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 2 0 240583.55 250912.61 2002.25 o 0 3 0 19445.38 18747.97 241.56 o -2 4 0 98158.89 97409.72 877.36 o -4 5 0 273146.97 281329.75 2325.00 o -1 5 0 42445.18 42939.88 488.69 o -3 6 0 283299.75 280052.25 2336.03 o 0 6 0 166210.33 169140.13 1523.20 o -5 7 0 473121.97 471783.59 3838.59 o -2 7 0 43078.59 41925.48 688.85 o -7 8 0 59560.29 59957.49 1365.14 o -4 8 0 130844.22 132389.16 1755.93 o -1 8 0 59444.30 57791.10 907.73 o -6 9 0 48453.24 46685.64 792.16 o -3 9 0 22771.11 18834.63 478.92 o 0 9 0 87572.66 87050.74 1355.45 o -8 10 0 51097.66 48193.42 1018.18 o -5 10 0 20010.64 20847.76 432.04 o -2 10 0 322431.44 316646.69 3464.97 o -10 11 0 15203.37 16210.88 494.69 o -7 11 0 159977.80 159392.02 1646.06 o -4 11 0 87617.65 91094.38 946.60 o -1 11 0 53520.85 53060.20 968.22 o -9 12 0 320753.66 333623.31 3627.87 o -6 12 0 52256.40 55660.21 831.55 o -3 12 0 187980.19 184502.38 3229.72 o 0 12 0 30230.22 30284.94 725.46 o -11 13 0 53304.13 57706.53 1052.14 o -8 13 0 198488.94 206299.31 2795.12 o -5 13 0 26082.01 27142.06 706.34 o -2 13 0 27018.96 25633.44 662.01 o -13 14 0 17261.03 17126.71 614.05 o -10 14 0 161720.95 167745.67 3201.68 o -7 14 0 5654.34 5392.04 405.20 o -4 14 0 30483.83 29396.94 1077.74 o -1 14 0 51484.80 49799.20 1029.73 o -12 15 0 7119.82 7108.86 442.95 o -9 15 0 35260.97 33886.65 1251.23 o -6 15 0 45174.93 43669.62 987.15 o -3 15 0 6773.92 7644.08 637.88 o 0 15 0 83771.66 85118.07 1502.43 o -14 16 0 15956.14 17515.12 994.50 o -11 16 0 4977.68 3655.56 615.10 o -8 16 0 15053.81 15277.36 628.67 o -5 16 0 29869.13 33269.80 1247.73 o -2 16 0 52280.75 53883.93 1144.00 o -13 17 0 23325.12 23277.47 1174.13 o -10 17 0 5874.70 6121.22 750.04 o -4 17 0 13269.71 12880.33 849.93 o -9 18 0 25723.62 28347.23 1324.83 o -6 18 0 29234.68 29976.99 1288.03 o -1 1 1 5917.98 4078.86 188.39 o -3 2 1 218781.56 219251.86 1777.82 o 0 2 1 31921.63 32288.49 320.68 o -5 3 1 2429.70 3466.27 117.58 o -2 3 1 11835.06 11952.09 240.27 o 1 3 1 4909.35 5194.86 128.45 o -7 4 1 43476.52 46214.46 553.23 o -4 4 1 166917.73 167404.59 1434.20 o -1 4 1 132703.44 136470.30 1181.68 o 2 4 1 634.10 1056.82 87.62 o -9 5 1 14030.43 12363.90 383.97 o -6 5 1 9046.66 7776.40 189.81 o -3 5 1 349.82 734.63 120.70 o 0 5 1 1099.82 1249.78 84.28 o 3 5 1 23226.46 23689.02 496.94 o -11 6 1 3538.24 3565.05 198.38 o -8 6 1 38922.21 36294.17 658.46 o -5 6 1 1031.06 936.57 86.90 o -2 6 1 62963.11 64526.54 1112.79 o 1 6 1 3791.58 3743.19 154.68 o 4 6 1 87834.45 88491.95 2283.41 o -13 7 1 38046.89 37373.73 828.01 o -10 7 1 1982.94 2305.65 182.44 o -7 7 1 1005.93 610.44 139.32 o -4 7 1 5014.26 5811.75 172.18 o -1 7 1 233973.53 234669.41 2565.25 o 2 7 1 21351.20 22350.44 788.59 o 5 7 1 1842.63 1748.54 585.31 o -15 8 1 8391.19 9323.05 498.50 o -12 8 1 5122.24 6127.44 295.41 o -9 8 1 13952.42 13835.85 463.52 o -6 8 1 5695.66 5492.75 243.25 o -3 8 1 37111.05 36393.37 1592.08 o 0 8 1 509.04 466.15 217.30 o 3 8 1 2916.09 2746.26 295.28 o 6 8 1 78.29 -214.49 278.64 o -17 9 1 5104.20 5462.00 456.84 o -14 9 1 3446.59 4237.37 495.94 o -11 9 1 2897.37 2835.92 214.25 o -8 9 1 174442.36 167313.88 2035.91 o -5 9 1 70351.34 68091.46 1184.64 o -2 9 1 14332.23 12470.72 534.49 o 1 9 1 8257.51 8818.57 302.36 o 4 9 1 30951.62 32924.57 1153.10 o 7 9 1 30209.29 31261.52 1263.50 o -16 10 1 365.24 1023.42 392.54 o -13 10 1 19249.82 18242.75 807.87 o -10 10 1 11282.48 11644.06 343.87 o -7 10 1 3809.54 4037.41 288.44 o -4 10 1 22650.46 24187.65 534.65 o -1 10 1 13479.72 13704.24 358.22 o 2 10 1 3531.88 4540.02 656.28 o 5 10 1 2467.59 1410.70 483.67 o 8 10 1 926.45 960.33 611.60 o -18 11 1 664.38 1189.90 446.87 o -15 11 1 52238.66 55369.64 1587.70 o -12 11 1 4138.95 3850.31 428.47 o -9 11 1 2069.36 1694.56 213.47 o -6 11 1 9889.05 9967.13 337.74 o -3 11 1 7396.56 6696.44 237.28 o 0 11 1 53869.67 52244.51 1323.96 o 3 11 1 1143.19 808.57 251.19 o 6 11 1 6264.45 4619.39 713.24 o -17 12 1 842.22 1196.91 432.85 o -14 12 1 12186.22 12816.72 523.54 o -11 12 1 9096.75 10632.94 447.37 o -8 12 1 8194.51 8245.16 585.31 o -5 12 1 11721.58 11394.92 317.56 o -2 12 1 1440.78 1520.96 258.48 o 1 12 1 53745.77 55766.20 1052.98 o 4 12 1 14724.74 14527.61 927.03 o -16 13 1 1941.81 1191.65 425.84 o -13 13 1 14463.43 13678.53 541.24 o -10 13 1 2168.83 2602.68 333.84 o -7 13 1 11084.50 12040.51 493.92 o -4 13 1 846.46 1862.83 343.48 o -1 13 1 43061.88 41263.05 881.47 o 2 13 1 5039.69 6025.52 431.57 o 5 13 1 248.25 406.56 595.82 o -18 14 1 9912.51 10807.21 841.16 o -15 14 1 1439.35 1221.76 319.99 o -12 14 1 11715.54 11060.48 499.48 o -9 14 1 14040.36 15095.39 818.38 o -6 14 1 51650.71 54482.31 1075.04 o -3 14 1 36083.49 35297.36 1184.64 o 0 14 1 1738.61 1422.07 311.53 o 3 14 1 628.70 352.24 550.26 o -17 15 1 21.44 -312.89 291.37 o -14 15 1 3788.05 4528.62 1185.52 o -11 15 1 16790.46 18584.47 967.34 o -8 15 1 1875.42 1787.94 316.54 o -5 15 1 5688.37 5206.46 569.54 o -2 15 1 29.44 -301.46 245.33 o 1 15 1 428.14 25.96 284.48 o -16 16 1 26.83 299.78 312.36 o -13 16 1 21198.01 21383.53 708.29 o -10 16 1 14880.89 15419.59 932.29 o -7 16 1 737.40 405.22 288.40 o -4 16 1 125.81 70.10 304.92 o -1 16 1 4629.74 4140.91 660.66 o -15 17 1 3754.82 3796.82 440.85 o -12 17 1 10619.60 9792.55 869.20 o -9 17 1 2588.44 2886.24 632.63 o -6 17 1 383.24 248.84 366.26 o -3 17 1 9330.08 10439.20 807.87 o -14 18 1 397.44 -273.38 564.28 o -11 18 1 2750.79 4027.07 729.01 o -8 18 1 809.66 1205.67 453.88 o -5 18 1 14818.03 13574.29 906.00 o -10 19 1 5996.41 5308.10 820.14 o 0 1 2 287718.28 280714.97 5075.91 o -2 2 2 39080.20 39733.04 450.16 o 1 2 2 4623.28 5237.15 566.50 o -4 3 2 14389.18 17230.25 312.15 o -1 3 2 15678.02 16887.69 284.37 o 2 3 2 229488.61 233545.80 1954.89 o -6 4 2 64578.26 64786.27 870.50 o -3 4 2 224649.78 224478.64 1855.18 o 0 4 2 183.91 266.12 72.64 o 3 4 2 523163.69 531230.38 4284.79 o -8 5 2 86817.84 88939.88 2225.58 o -5 5 2 142860.16 148589.28 1329.12 o -2 5 2 117765.00 122324.25 1390.90 o 1 5 2 329658.22 337462.63 2792.05 o 4 5 2 15124.53 14370.88 404.99 o -10 6 2 15237.01 14895.84 362.68 o -7 6 2 5422.07 6895.27 308.43 o -4 6 2 373350.84 374888.66 3064.02 o -1 6 2 57168.76 57742.57 739.74 o 2 6 2 138459.28 138077.11 2430.61 o 5 6 2 9300.53 10065.29 331.61 o -12 7 2 7820.76 9243.88 288.16 o -9 7 2 100715.91 101196.16 1377.13 o -6 7 2 238001.22 242007.86 2102.00 o -3 7 2 75167.30 72195.85 994.76 o 0 7 2 58974.00 61293.00 917.76 o 3 7 2 4865.46 4634.73 403.06 o 6 7 2 4211.27 4525.28 341.01 o -14 8 2 31.44 -138.38 225.89 o -11 8 2 158617.80 158485.91 3461.35 o -8 8 2 27173.56 26798.09 862.19 o -5 8 2 144309.28 142440.53 1707.62 o -2 8 2 46499.93 47794.03 795.30 o 1 8 2 19734.13 19290.66 505.34 o 4 8 2 69888.16 68921.15 1647.28 o 7 8 2 3739.66 3938.27 380.25 o -16 9 2 42665.94 45556.65 1060.23 o -13 9 2 18199.49 18882.39 827.14 o -10 9 2 128353.30 132520.97 1395.01 o -7 9 2 7561.26 7465.33 474.91 o -4 9 2 10050.33 11460.62 374.61 o -1 9 2 58078.66 56323.79 859.75 o 2 9 2 77195.58 79437.23 1184.04 o 5 9 2 62831.65 68950.94 1780.46 o 8 9 2 18691.37 20345.66 1102.28 o -18 10 2 37062.87 36331.29 1394.93 o -15 10 2 32811.07 30798.88 1156.60 o -12 10 2 49523.63 46840.88 1604.35 o -9 10 2 17566.76 19135.01 422.51 o -6 10 2 6636.53 7364.16 421.61 o -3 10 2 117874.21 109398.84 1216.12 o 0 10 2 9619.83 10311.27 394.92 o 3 10 2 93197.85 98519.77 1450.49 o 6 10 2 3401.80 3624.02 625.62 o -17 11 2 55352.68 58452.15 1755.93 o -14 11 2 14322.56 13158.96 750.04 o -11 11 2 11540.37 11156.00 539.75 o -8 11 2 66969.26 65483.81 864.60 o -5 11 2 8379.41 9550.13 289.87 o -2 11 2 183519.00 178910.64 1782.40 o 1 11 2 877.86 1160.07 236.63 o 4 11 2 7959.22 8168.06 737.77 o 7 11 2 12009.41 12477.27 970.84 o -16 12 2 12961.22 13675.93 816.63 o -13 12 2 6281.49 4986.61 367.97 o -10 12 2 19321.70 19861.04 1188.14 o -7 12 2 64220.22 64963.72 1630.63 o -4 12 2 122314.19 124362.43 1406.56 o -1 12 2 7100.83 6482.38 370.28 o 2 12 2 93.08 282.41 231.42 o 5 12 2 26354.13 24623.33 1205.67 o -18 13 2 220.04 464.39 420.58 o -15 13 2 39380.44 39749.48 921.44 o -12 13 2 2875.49 2986.45 314.52 o -9 13 2 88924.80 91841.13 2038.07 o -6 13 2 29.49 -96.54 191.83 o -3 13 2 15324.39 14245.47 730.76 o 0 13 2 15949.76 15514.16 566.91 o 3 13 2 1805.59 2206.04 349.48 o -17 14 2 2993.95 3732.67 592.32 o -14 14 2 30027.59 32493.39 836.42 o -11 14 2 31888.13 32394.45 2347.37 o -8 14 2 14653.96 15015.83 591.44 o -5 14 2 4689.56 4722.79 513.46 o -2 14 2 4916.75 4466.46 624.74 o 1 14 2 29469.14 30822.97 849.57 o 4 14 2 27113.96 29409.21 1366.89 o -16 15 2 56013.62 56594.15 1203.66 o -13 15 2 19286.51 20730.96 683.86 o -10 15 2 11938.42 12403.67 835.91 o -7 15 2 9384.17 8124.13 490.03 o -4 15 2 10213.88 9960.79 685.20 o -1 15 2 75189.44 76599.14 1388.98 o 2 15 2 5378.60 5614.60 491.56 o -15 16 2 24967.17 26122.59 954.20 o -12 16 2 2840.38 1366.89 539.75 o -9 16 2 392.91 240.08 464.39 o -6 16 2 71014.72 70668.31 1887.36 o -3 16 2 10289.45 11296.13 783.33 o 0 16 2 45111.91 44488.75 1099.65 o -14 17 2 9082.91 7658.10 834.15 o -11 17 2 450.67 296.16 515.21 o -8 17 2 61876.04 64430.16 2298.31 o -5 17 2 16909.67 17725.79 967.34 o -2 17 2 24006.37 26478.37 838.13 o -13 18 2 40953.41 42077.49 1606.97 o -10 18 2 4656.72 4759.59 748.29 o -7 18 2 54660.89 54090.37 1736.65 o -4 18 2 2655.23 2781.10 569.54 o 0 0 3 511.42 -9.91 4.96 o 1 1 3 59189.91 58482.02 573.74 o -1 2 3 1.29 5.33 29.10 o 2 2 3 71393.06 67165.70 648.55 o -3 3 3 302081.50 299394.19 2406.11 o 0 3 3 4258.28 4261.08 101.60 o 3 3 3 35720.16 40782.24 490.56 o -5 4 3 311352.38 312678.59 3159.06 o -2 4 3 2794.18 3776.42 97.47 o 1 4 3 1208.11 1480.52 87.22 o 4 4 3 58415.27 57542.26 866.55 o -7 5 3 46254.06 45321.78 714.27 o -4 5 3 232.79 502.10 62.01 o -1 5 3 2733.42 3650.42 114.01 o 2 5 3 4250.56 4137.54 406.84 o 5 5 3 183179.22 180310.88 1761.33 o -9 6 3 115.47 170.86 130.11 o -6 6 3 11516.03 12958.77 260.64 o -3 6 3 3635.43 3741.70 269.79 o 0 6 3 75638.72 77536.07 805.05 o 3 6 3 93273.92 89137.13 1813.76 o 6 6 3 23627.01 22774.80 510.29 o -11 7 3 13314.44 12574.25 481.60 o -8 7 3 5284.35 5639.39 307.55 o -5 7 3 4192.15 4483.25 214.03 o -2 7 3 161227.45 154053.27 3002.78 o 1 7 3 3837.03 3780.84 221.33 o 4 7 3 74476.36 70819.56 1043.08 o 7 7 3 3089.37 3380.19 350.81 o -13 8 3 663.76 828.57 235.65 o -10 8 3 6315.74 7082.95 306.81 o -7 8 3 94664.78 91934.00 1833.04 o -4 8 3 14264.96 13549.79 378.31 o -1 8 3 53719.86 51876.79 856.23 o 2 8 3 35307.96 36496.91 585.72 o 5 8 3 20.46 161.24 337.34 o 8 8 3 12318.10 12655.58 592.90 o -15 9 3 2896.43 3079.01 467.90 o -12 9 3 121.95 84.12 254.10 o -9 9 3 121516.05 116465.12 1249.58 o -6 9 3 34.14 -202.10 105.66 o -3 9 3 19149.88 18342.09 478.92 o 0 9 3 53.85 68.37 117.26 o 3 9 3 9086.89 9527.13 393.84 o 6 9 3 17379.32 17087.90 927.03 o 9 9 3 31.86 -325.95 555.52 o -17 10 3 264.83 162.98 380.28 o -14 10 3 40039.72 37563.24 1226.70 o -11 10 3 9851.46 10381.97 403.27 o -8 10 3 187315.52 180520.33 1758.52 o -5 10 3 4288.25 4646.15 225.73 o -2 10 3 3275.20 3634.27 210.88 o 1 10 3 4181.61 3958.27 286.47 o 4 10 3 3726.35 2935.31 545.00 o 7 10 3 53504.63 51409.16 1706.86 o -16 11 3 6212.68 5351.91 587.06 o -13 11 3 34517.46 34733.27 799.11 o -10 11 3 55.75 34.35 163.34 o -7 11 3 3950.66 4014.92 237.73 o -4 11 3 274.86 71.23 112.58 o -1 11 3 11321.62 10069.94 403.94 o 2 11 3 24420.84 23952.98 653.21 o 5 11 3 6475.28 5577.97 692.21 o -18 12 3 14.04 -7.01 396.05 o -15 12 3 60519.47 62370.58 1706.86 o -12 12 3 13560.48 14785.15 516.54 o -9 12 3 228.22 80.01 181.20 o -6 12 3 15576.69 14845.70 500.20 o -3 12 3 649.75 480.16 276.88 o 0 12 3 75674.81 74900.09 1235.17 o 3 12 3 5507.92 6104.93 662.42 o 6 12 3 883.12 91.13 560.78 o -17 13 3 127.76 115.66 355.74 o -14 13 3 80.51 566.17 259.24 o -11 13 3 7766.26 8517.54 428.39 o -8 13 3 18192.95 16380.07 554.19 o -5 13 3 62222.50 62346.10 1117.51 o -2 13 3 421.66 297.24 214.93 o 1 13 3 477.81 -4.75 236.30 o 4 13 3 66.31 -92.88 502.95 o -16 14 3 792.16 344.64 401.31 o -13 14 3 84.59 -153.05 233.38 o -10 14 3 22.81 255.85 408.32 o -7 14 3 101642.18 101606.47 1578.35 o -4 14 3 6621.49 7248.03 599.33 o -1 14 3 595.57 246.81 242.76 o 2 14 3 101.69 113.15 286.89 o -15 15 3 1.83 -11.55 271.34 o -12 15 3 74104.33 71884.41 1278.02 o -9 15 3 1014.50 439.86 459.14 o -6 15 3 19864.43 18686.11 907.76 o -3 15 3 246.25 790.34 368.01 o 0 15 3 544.97 429.04 632.63 o -14 16 3 15839.32 16525.19 653.08 o -11 16 3 2102.62 2449.89 569.54 o -8 16 3 2638.09 1952.27 339.79 o -5 16 3 210.23 -350.49 276.88 o -2 16 3 28.27 -67.30 270.25 o -13 17 3 19694.41 17555.80 1056.71 o -10 17 3 2939.27 3049.22 648.40 o -7 17 3 1469.93 2150.23 476.66 o -4 17 3 31665.93 30206.56 1247.73 o -12 18 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