#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2202019.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_2202019_Fobs loop_ _publ_author_name 'Lee, Uk' 'Jang, Soon-Jung' 'Joo, Hea-Chung' 'Park, Ki-Min' _publ_section_title ; Anhydrous octaguanidinium hexatungstoplatinate(IV) ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m116 _journal_page_last m118 _journal_volume 59 _journal_year 2003 _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 12.9280 _cell_length_b 12.9280 _cell_length_c 21.9810 _exptl_crystal_F_000 2934.00 _reflns_d_resolution_high 0.7703 _[local]_cod_data_source_file lh6036Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' GuPtW POM' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1493.06 _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 24845.15 26027.07 2161.80 o 0 3 0 23995.21 18405.13 3365.90 o -2 4 0 686059.63 638017.88 7594.13 o -4 5 0 209325.28 213789.95 5185.94 o -1 5 0 39440.88 40245.69 3681.82 o -3 6 0 9643.88 5966.81 2630.72 o 0 6 0 17364.54 12738.34 3532.80 o -5 7 0 10846.12 13064.20 2602.91 o -2 7 0 113154.94 98203.06 4893.86 o -7 8 0 22568.75 20839.14 3075.80 o -4 8 0 55.49 4673.31 2636.68 o -1 8 0 787176.38 755542.00 13139.71 o -6 9 0 674868.94 647416.19 11424.97 o -3 9 0 9178.34 3481.14 3091.70 o 0 9 0 796.40 -3489.09 3489.09 o -8 10 0 12442.12 11271.97 3004.27 o -5 10 0 8883.55 10693.77 3197.00 o -2 10 0 35994.04 41016.63 4587.87 o -10 11 0 416150.09 388492.63 10167.23 o -7 11 0 16169.73 15559.81 3369.87 o -4 11 0 161679.72 145822.33 7137.13 o -1 11 0 28645.74 33927.19 4750.80 o -9 12 0 3223.55 7007.98 3004.27 o -6 12 0 310.21 -1891.58 3191.04 o -3 12 0 70917.02 73958.28 6286.71 o 0 12 0 2351.18 -2084.31 3697.72 o -11 13 0 17863.07 19956.94 3719.57 o -8 13 0 206596.77 202835.91 8484.28 o -5 13 0 84169.71 95238.52 6956.31 o -2 13 0 410.28 2759.87 3457.29 o -13 14 0 26245.81 22104.83 4126.90 o -10 14 0 28356.77 29665.18 4490.51 o -7 14 0 8508.61 13847.06 3848.72 o -4 14 0 19432.73 7808.72 4591.84 o -1 14 0 15387.31 5927.07 4325.59 o -12 15 0 38955.99 38644.21 4752.79 o -9 15 0 27505.93 33416.54 4558.06 o -6 15 0 5835.12 9843.36 4095.11 o -3 15 0 202010.41 196606.81 9789.71 o -11 16 0 6258.05 -2575.09 4007.68 o -8 16 0 5022.41 10809.01 3912.31 o -5 16 0 249.80 -878.23 4059.34 o -1 1 1 478911.41 455019.72 3346.03 o -3 2 1 135601.97 125624.97 3340.06 o 0 2 1 114086.51 108869.02 3137.40 o -5 3 1 65820.20 62686.31 3195.02 o -2 3 1 2342.56 4987.25 2273.07 o 1 3 1 897149.25 847142.44 10248.69 o -7 4 1 41407.43 45445.54 3034.07 o -4 4 1 1471.63 4508.39 2296.92 o -1 4 1 2356.98 -405.34 2547.27 o 2 4 1 10585.56 17813.02 4023.58 o -9 5 1 19140.27 15643.27 2881.08 o -6 5 1 48267.32 47531.84 3193.03 o -3 5 1 1195196.50 1116817.38 10683.83 o 0 5 1 11960.17 3969.93 2912.87 o 3 5 1 269173.16 261921.84 8541.90 o -11 6 1 1901.68 3504.98 2618.80 o -8 6 1 511465.28 496425.78 9054.54 o -5 6 1 25171.01 25874.08 2751.93 o -2 6 1 39824.27 30867.28 3224.82 o 1 6 1 33619.41 35250.50 3999.73 o 4 6 1 249157.27 259773.97 8716.75 o -13 7 1 411.14 675.56 2829.42 o -10 7 1 16842.54 18560.11 3121.50 o -7 7 1 161827.94 158052.02 5332.98 o -4 7 1 52139.38 51519.65 3499.02 o -1 7 1 959357.75 920363.63 12937.04 o 2 7 1 36485.48 41835.25 4818.36 o 5 7 1 3029.14 -558.33 3348.01 o -15 8 1 248.63 -2871.14 2871.14 o -12 8 1 515030.88 502998.63 11369.33 o -9 8 1 5720.50 5497.89 2676.42 o -6 8 1 43670.14 42943.97 3671.89 o -3 8 1 3384.45 1531.94 2807.56 o 0 8 1 342.84 -3441.40 3441.40 o 3 8 1 60292.57 61635.22 5766.13 o 6 8 1 135204.41 125702.45 7270.25 o -14 9 1 18493.02 17648.10 3729.51 o -11 9 1 8739.25 669.60 2811.54 o -8 9 1 44073.83 47456.34 4107.03 o -5 9 1 342972.56 326446.09 8309.43 o -2 9 1 46054.77 48618.70 4411.03 o 1 9 1 42542.44 42077.66 4931.61 o 4 9 1 132913.09 140835.08 7351.72 o 7 9 1 10774.48 3230.78 4005.69 o -16 10 1 90715.78 104847.42 6618.53 o -13 10 1 6750.33 5654.86 3361.92 o -10 10 1 281504.94 273591.22 8178.29 o -7 10 1 55956.74 58332.90 4440.84 o -4 10 1 37004.93 30479.83 4013.64 o -1 10 1 5222.09 7202.70 3669.90 o 2 10 1 4846.63 4029.54 3689.77 o 5 10 1 11171.46 4210.35 3705.66 o -15 11 1 1310.19 5076.66 3165.21 o -12 11 1 1505.22 5573.40 3049.97 o -9 11 1 9415.58 6503.29 2972.48 o -6 11 1 21098.17 19335.02 3677.85 o -3 11 1 61284.76 58772.02 5454.18 o 0 11 1 294064.00 303472.97 10449.38 o 3 11 1 9501.46 6175.44 3711.62 o -14 12 1 148371.36 152516.38 7441.13 o -11 12 1 43537.99 35814.79 4224.26 o -8 12 1 3320.09 6602.64 2819.48 o -5 12 1 150514.34 148574.25 7180.84 o -2 12 1 32212.68 31815.06 4949.49 o 1 12 1 12013.73 5356.82 3991.78 o 4 12 1 1028.42 5497.89 3604.33 o -13 13 1 16083.86 17691.81 3644.07 o -10 13 1 1327.98 790.81 3159.25 o -7 13 1 6285.53 9267.14 3580.49 o -4 13 1 41745.82 42149.19 5309.13 o -1 13 1 1394.98 -3693.74 3693.74 o 2 13 1 220259.98 199936.94 9485.71 o -15 14 1 39.79 3959.99 3463.26 o -12 14 1 11363.68 7091.43 3274.50 o -9 14 1 303258.75 278276.47 10075.83 o -6 14 1 9023.24 8637.28 3715.60 o -3 14 1 17109.97 15754.53 4420.97 o 0 14 1 510.49 975.59 3381.79 o -14 15 1 50967.16 56177.07 5509.81 o -11 15 1 5294.31 10626.21 3542.73 o -8 15 1 3281.33 3530.81 3566.58 o -5 15 1 5457.77 12017.08 4160.68 o -2 15 1 185835.64 187510.55 9336.68 o -10 16 1 2096.69 -3306.29 3379.80 o -7 16 1 163995.50 166872.09 9199.58 o -4 16 1 3234.94 5583.33 4333.54 o 0 1 2 422234.38 418016.75 3713.61 o -2 2 2 86908.46 89466.43 2674.44 o 1 2 2 163109.08 153786.03 4118.95 o -4 3 2 18182.20 16702.31 2416.13 o -1 3 2 7857.93 10727.55 2424.08 o 2 3 2 372861.69 368907.22 8090.86 o -6 4 2 13683.73 15067.05 2445.94 o -3 4 2 1273718.13 1231667.13 10121.53 o 0 4 2 6467.91 4605.75 2680.40 o 3 4 2 27337.60 25492.58 4240.15 o -8 5 2 3620.51 1039.18 2360.50 o -5 5 2 20131.79 26815.89 2670.46 o -2 5 2 92644.03 98882.60 3954.03 o 1 5 2 53506.15 59837.03 4057.35 o 4 5 2 393883.53 392919.53 10226.84 o -10 6 2 58545.75 69263.13 4460.71 o -7 6 2 1002461.56 966103.25 11810.44 o -4 6 2 59733.36 62420.06 3485.11 o -1 6 2 28908.70 29277.72 3210.91 o 2 6 2 51145.17 52153.49 5237.60 o 5 6 2 15199.85 16722.18 3822.89 o -12 7 2 149534.80 161916.63 6711.92 o -9 7 2 46247.24 48594.86 3890.45 o -6 7 2 43132.30 44877.27 3502.99 o -3 7 2 134401.25 137506.94 4943.53 o 0 7 2 125718.03 129090.23 5682.68 o 3 7 2 114792.00 112769.40 6606.61 o 6 7 2 6759.96 1649.17 3739.44 o -14 8 2 22405.04 24471.29 3793.09 o -11 8 2 135598.28 133894.66 5992.64 o -8 8 2 1855.00 4834.25 2503.56 o -5 8 2 240704.30 222908.08 6477.46 o -2 8 2 639803.81 620280.38 10908.36 o 1 8 2 76403.51 92882.01 5990.66 o 4 8 2 1285.09 5362.78 3693.74 o 7 8 2 693.40 4746.83 3163.23 o -16 9 2 164645.75 182461.70 8341.22 o -13 9 2 38443.19 41046.43 4260.02 o -10 9 2 10713.28 7574.26 2904.92 o -7 9 2 52299.08 46917.88 4037.48 o -4 9 2 2501.10 -188.76 2718.15 o -1 9 2 233.98 1140.51 3351.99 o 2 9 2 1348.04 1162.37 3483.13 o 5 9 2 364476.34 369547.03 11585.91 o -15 10 2 2981.90 -2825.44 2825.44 o -12 10 2 17661.75 22623.42 3753.35 o -9 10 2 52528.24 45836.97 4200.41 o -6 10 2 162638.97 156263.77 6455.60 o -3 10 2 3138.59 -455.01 3290.39 o 0 10 2 348965.09 373689.84 11289.86 o 3 10 2 1921.93 -3554.66 3554.66 o 6 10 2 1652.78 7323.90 3330.13 o -14 11 2 21827.37 23372.50 3850.71 o -11 11 2 302476.88 303077.56 9249.26 o -8 11 2 30607.98 33726.51 3783.15 o -5 11 2 1765.94 2885.05 3004.27 o -2 11 2 4948.88 4440.84 3775.21 o 1 11 2 34627.77 34046.41 4915.72 o 4 11 2 6315.92 5688.64 3872.57 o -16 12 2 3871.25 4820.34 3340.06 o -13 12 2 576.41 -2879.09 2879.09 o -10 12 2 1603.81 8355.13 3087.72 o -7 12 2 4167.83 4840.21 2982.41 o -4 12 2 525748.25 504927.94 12517.79 o -1 12 2 143.52 9815.54 4150.74 o 2 12 2 14010.93 15635.32 4013.64 o -15 13 2 173866.73 189356.42 8738.61 o -12 13 2 6542.21 12505.87 3133.42 o -9 13 2 148006.42 146247.53 7061.62 o -6 13 2 430.67 4047.42 3397.69 o -3 13 2 7599.81 14979.62 3946.08 o 0 13 2 19506.40 19786.06 4399.11 o -14 14 2 781.35 -101.33 2932.74 o -11 14 2 18483.00 17103.67 3771.23 o -8 14 2 114053.63 105697.84 6570.85 o -5 14 2 728.73 2602.91 3594.39 o -2 14 2 141110.16 168479.53 8516.07 o -13 15 2 230768.19 246385.89 9841.37 o -10 15 2 10885.65 10695.76 3622.21 o -7 15 2 81.65 -3361.92 3361.92 o -4 15 2 122.84 -3801.04 3801.04 o -12 16 2 10.69 -294.07 3242.70 o -9 16 2 12803.68 8776.36 4111.00 o -6 16 2 103341.47 101652.41 8074.97 o 0 0 3 2229224.75 1986752.25 8812.13 o 1 1 3 25048.36 24989.88 2201.54 o -1 2 3 16389.82 16608.92 2014.77 o 2 2 3 764430.31 730397.19 8690.92 o -3 3 3 1116.38 -898.10 2066.43 o 0 3 3 11135.36 12799.94 2515.48 o 3 3 3 5561.28 1150.44 3981.85 o -5 4 3 137655.50 138418.94 4214.32 o -2 4 3 757633.94 733457.13 7931.91 o 1 4 3 226790.23 217175.72 5555.51 o 4 4 3 5267.58 9924.82 3650.03 o -7 5 3 145063.53 142796.20 4887.90 o -4 5 3 260578.55 257455.19 5607.18 o -1 5 3 86496.25 83990.40 3850.71 o 2 5 3 22889.14 26241.66 3685.79 o 5 5 3 3993.97 4442.82 3630.16 o -9 6 3 1168.05 -2330.69 2330.69 o -6 6 3 6853.12 8084.90 2284.99 o -3 6 3 6173.95 8025.29 2346.59 o 0 6 3 31900.73 37217.58 3602.34 o 3 6 3 717933.88 690638.31 13441.72 o 6 6 3 13942.17 8178.29 4232.21 o -11 7 3 105617.16 112312.40 5573.40 o -8 7 3 551886.44 559851.25 9869.18 o -5 7 3 56836.02 50085.07 3417.56 o -2 7 3 188412.52 187858.27 5799.91 o 1 7 3 11219.75 18591.90 3471.20 o 4 7 3 956.32 3107.59 3729.51 o 7 7 3 10916.59 2831.40 3671.89 o -13 8 3 75495.16 80666.23 5633.01 o -10 8 3 27657.43 32750.91 3497.03 o -7 8 3 32784.88 32929.74 3375.83 o -4 8 3 714.69 1768.39 2700.27 o -1 8 3 545786.63 550582.13 10725.56 o 2 8 3 9864.18 9312.84 4017.61 o 5 8 3 230771.70 221080.09 9141.96 o 8 8 3 9656.08 9549.29 3671.89 o -15 9 3 10445.62 2640.66 3431.46 o -12 9 3 50990.82 48497.50 4653.44 o -9 9 3 2226.76 7407.35 2741.99 o -6 9 3 768896.63 694105.56 11536.24 o -3 9 3 13022.88 19420.46 3161.24 o 0 9 3 1516.36 2708.21 3373.84 o 3 9 3 4958.27 2829.42 3711.62 o 6 9 3 22885.79 17594.45 4188.49 o -14 10 3 16158.42 18881.99 3642.08 o -11 10 3 34807.24 32532.35 3803.02 o -8 10 3 5627.94 2076.36 2885.05 o -5 10 3 2214.76 7071.56 3016.19 o -2 10 3 38132.94 42208.80 4387.19 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