#------------------------------------------------------------------------------ #$Date: 2016-04-02 20:31:21 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180720 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/00/39/2003995.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_2003995_Fobs loop_ _publ_author_name 'Hamady, A.' 'Jouini, T.' 'Driss, A.' _publ_section_title ; KYP~4~O~12~ ; _journal_issue 10 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1970 _journal_page_last 1972 _journal_volume 51 _journal_year 1995 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _exptl_crystal_F_000 856.00 _cod_data_source_file du1117sup2.hkl _cod_data_source_block aly2 #BEGIN Tags that were not found in dictionaries: _shelx_title ' KYP4O12 : 48 O 16 P 4 Y 4 K' _shelx_refln_list_code 4 _shelx_f_calc_maximum 308.93 _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 2 0 0 23868.70 21655.42 157.23 o 4 0 0 38559.54 36337.99 276.40 o 6 0 0 621.40 685.66 42.87 o 8 0 0 476.27 464.95 56.75 o 1 1 0 365.09 398.94 20.52 o 3 1 0 3396.03 2874.58 103.89 o 5 1 0 2601.21 2525.47 116.77 o 7 1 0 15774.41 15410.63 269.88 o 0 2 0 2469.50 2524.03 70.49 o 2 2 0 35411.64 33288.72 1653.57 o 4 2 0 127.17 196.16 26.24 o 6 2 0 191.78 221.16 38.47 o 8 2 0 736.70 758.60 64.08 o 1 3 0 119.61 187.32 104.79 o 3 3 0 9365.54 9921.45 461.55 o 5 3 0 6340.51 6323.87 312.81 o 7 3 0 732.31 766.37 52.82 o 0 4 0 213.15 294.48 33.34 o 2 4 0 56009.88 54852.04 1807.06 o 4 4 0 1718.23 1622.62 41.41 o 6 4 0 5046.57 5211.38 136.42 o 8 4 0 2655.23 2728.28 174.41 o 1 5 0 1008.99 842.62 27.62 o 3 5 0 3829.70 3784.50 84.51 o 5 5 0 14839.12 14702.85 231.34 o 7 5 0 90.07 80.40 48.68 o 0 6 0 18601.85 18802.03 266.38 o 2 6 0 2003.03 2199.07 44.62 o 4 6 0 2149.47 2201.58 50.13 o 6 6 0 64.97 263.20 113.50 o 1 7 0 1089.92 1133.87 35.98 o 3 7 0 143.13 164.98 30.02 o 5 7 0 684.86 658.35 45.98 o 7 7 0 1822.41 1880.13 72.79 o 0 8 0 3643.87 3857.86 113.96 o 2 8 0 284.07 321.98 32.86 o 4 8 0 367.79 349.34 41.14 o 6 8 0 2032.47 2031.99 102.00 o 1 9 0 16610.14 16838.57 342.95 o 3 9 0 9409.94 9203.34 613.02 o 5 9 0 2258.04 2099.00 66.43 o 0 10 0 1361.09 1318.94 70.55 o 2 10 0 162.72 162.31 65.01 o 4 10 0 667.28 708.52 51.75 o 6 10 0 1433.47 1496.56 129.09 o 1 11 0 927.71 908.10 49.38 o 3 11 0 1886.09 1811.02 100.71 o 5 11 0 1214.63 1144.85 69.71 o 0 12 0 454.93 494.30 69.59 o 2 12 0 610.76 625.08 52.42 o 4 12 0 1999.56 1925.20 78.60 o 1 13 0 5219.85 5187.17 253.16 o 3 13 0 8096.04 7942.54 163.23 o 0 14 0 8341.30 7995.41 250.91 o 2 14 0 2099.90 2179.09 81.92 o -7 1 1 7146.88 7113.99 209.37 o -5 1 1 4756.52 4542.77 130.94 o -3 1 1 4849.96 4362.73 128.32 o -1 1 1 4630.66 4763.61 89.39 o 1 1 1 1545.19 1517.99 46.25 o 3 1 1 4955.39 5401.94 150.71 o 5 1 1 254.21 215.44 47.52 o 7 1 1 125.00 190.84 61.13 o -8 2 1 265.97 409.50 74.26 o -6 2 1 176.67 246.59 52.54 o -4 2 1 1408.13 1338.61 51.33 o -2 2 1 172.96 174.79 32.82 o 0 2 1 16973.33 17780.38 172.69 o 2 2 1 4190.57 3549.23 102.88 o 4 2 1 17512.85 16246.33 288.88 o 6 2 1 12305.85 11648.11 314.50 o 8 2 1 9227.70 9571.74 274.53 o -7 3 1 4096.73 4082.24 110.33 o 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71.92 o -5 7 1 1576.48 1629.29 82.77 o -3 7 1 320.53 274.46 46.49 o -1 7 1 26058.58 26541.27 351.66 o 1 7 1 11039.89 11141.23 239.23 o 3 7 1 37912.64 36988.86 477.41 o 5 7 1 15021.20 14364.57 349.25 o 7 7 1 7735.95 7908.79 249.55 o -6 8 1 572.78 513.68 75.83 o -4 8 1 2749.85 2666.98 89.18 o -2 8 1 3159.01 3523.55 108.91 o 0 8 1 13.53 11.19 28.54 o 2 8 1 3607.31 3504.36 108.61 o 4 8 1 2309.79 2255.07 87.13 o 6 8 1 1750.51 1484.54 103.96 o -7 9 1 553.44 516.13 98.08 o -5 9 1 33.84 61.23 53.20 o -3 9 1 4110.11 4054.71 123.70 o -1 9 1 3081.32 3346.46 99.89 o 1 9 1 29220.73 29484.64 426.24 o 3 9 1 2220.66 2030.34 82.67 o 5 9 1 10362.97 10172.18 283.01 o -6 10 1 11433.17 11531.92 324.52 o -4 10 1 17561.71 17679.78 401.81 o -2 10 1 17033.76 17110.42 367.06 o 0 10 1 23015.34 23157.61 410.60 o 2 10 1 342.74 482.37 59.26 o 4 10 1 3676.43 3472.49 108.12 o 6 10 1 1375.23 1620.59 104.27 o -5 11 1 107.95 294.48 75.93 o -3 11 1 3882.60 4200.31 118.91 o -1 11 1 1382.85 1378.39 76.13 o 1 11 1 9220.53 8928.28 254.95 o 3 11 1 4321.17 4130.66 124.86 o 5 11 1 7662.72 7361.90 212.99 o -4 12 1 395.91 385.83 84.80 o -2 12 1 550.49 659.80 74.85 o 0 12 1 1060.92 1152.12 80.59 o 2 12 1 738.15 673.73 72.84 o 4 12 1 2204.60 2183.89 110.96 o -3 13 1 1697.03 1740.02 108.05 o -1 13 1 5056.06 4808.41 142.19 o 1 13 1 231.41 233.22 69.22 o 3 13 1 6736.16 6710.26 194.50 o -2 14 1 4401.40 4427.12 143.62 o 0 14 1 1216.45 1130.24 101.59 o 2 14 1 940.68 890.52 99.84 o -8 0 2 6498.75 6387.13 181.13 o -6 0 2 8207.69 8465.34 248.25 o -4 0 2 14905.48 15257.63 253.29 o -2 0 2 31850.58 28876.25 256.76 o 0 0 2 4633.26 4564.62 102.08 o 2 0 2 1518.77 1362.41 43.82 o 4 0 2 5526.01 5602.07 161.56 o 6 0 2 13358.58 13236.40 335.26 o -9 1 2 7398.31 7223.65 229.32 o -7 1 2 82.51 128.42 53.81 o -5 1 2 1350.65 1215.24 52.67 o -3 1 2 13661.29 12732.20 207.03 o -1 1 2 14119.47 14952.55 158.37 o 1 1 2 76336.06 67149.04 391.54 o 3 1 2 4198.19 4270.55 126.95 o 5 1 2 26501.76 26788.00 423.94 o 7 1 2 873.17 877.69 83.13 o -8 2 2 1082.76 1152.12 87.92 o -6 2 2 2131.12 2173.82 75.48 o -4 2 2 0.02 19.58 54.80 o -2 2 2 27416.77 28201.66 271.87 o 0 2 2 1345.46 1350.48 39.66 o 2 2 2 2715.00 3198.29 91.55 o 4 2 2 55.72 80.24 36.74 o 6 2 2 1431.66 1476.23 82.93 o -7 3 2 5964.60 5880.09 182.07 o -5 3 2 8233.05 7966.48 221.56 o -3 3 2 2484.77 2148.73 65.04 o -1 3 2 95440.52 95743.85 467.53 o 1 3 2 19683.13 19519.09 241.26 o 3 3 2 58188.86 55559.81 508.79 o 5 3 2 499.37 477.65 58.97 o 7 3 2 5154.94 5433.72 175.02 o -8 4 2 3922.79 4186.33 132.68 o -6 4 2 8109.76 8092.20 223.30 o -4 4 2 29283.94 29577.38 371.23 o -2 4 2 5240.40 6105.66 151.80 o 0 4 2 12986.90 13286.12 211.48 o 2 4 2 659.35 516.13 41.68 o 4 4 2 1308.98 1307.21 62.43 o 6 4 2 3929.05 3864.56 120.77 o -7 5 2 7003.76 7059.48 217.63 o -5 5 2 349.30 358.76 49.06 o -3 5 2 535.14 665.35 44.54 o -1 5 2 110.16 114.16 32.29 o 1 5 2 1996.24 2480.84 75.26 o 3 5 2 6366.74 6258.40 170.76 o 5 5 2 877.29 903.45 68.12 o 7 5 2 5818.32 5781.19 164.12 o -8 6 2 69.98 110.73 79.73 o -6 6 2 12.62 102.92 43.07 o -4 6 2 1606.45 1699.74 62.29 o -2 6 2 592.19 673.73 44.82 o 0 6 2 6011.98 5683.14 170.86 o 2 6 2 1405.88 1287.77 54.22 o 4 6 2 502.55 561.21 61.36 o 6 6 2 247.79 221.83 64.30 o -7 7 2 396.27 411.69 72.26 o -5 7 2 1272.31 1170.51 73.85 o -3 7 2 10131.39 10270.38 251.56 o -1 7 2 860.02 913.21 48.92 o 1 7 2 7727.92 7966.48 211.93 o 3 7 2 221.59 244.90 47.29 o 5 7 2 3343.60 3491.59 114.79 o -6 8 2 1982.38 2239.73 97.05 o -4 8 2 498.59 523.51 61.73 o -2 8 2 12586.81 12878.76 281.70 o 0 8 2 2637.61 2578.54 87.69 o 2 8 2 5635.88 5489.55 159.93 o 4 8 2 14373.31 13775.71 354.68 o 6 8 2 3318.19 3278.13 123.59 o -7 9 2 2764.57 3023.74 124.63 o -5 9 2 1153.81 1326.79 78.62 o -3 9 2 455.97 592.31 60.41 o -1 9 2 115.99 173.37 48.32 o 1 9 2 357.44 506.37 55.86 o 3 9 2 143.77 196.85 56.03 o 5 9 2 2509.58 2545.77 103.46 o -6 10 2 204.93 255.14 79.30 o -4 10 2 2344.63 2422.06 95.61 o -2 10 2 6123.17 6525.88 209.25 o 0 10 2 2368.12 2280.77 82.47 o 2 10 2 2860.91 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