#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2202246.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_2202246_Fobs loop_ _publ_author_name 'Chee, Chin Fei' 'Lo, Kong Mun' 'Ng, Seik Weng' _publ_section_title ; \m-Succinato-bis(aquatriphenyltin)bis(o-phenanthroline) ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m36 _journal_page_last m37 _journal_volume 59 _journal_year 2003 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 101.014 _cell_angle_gamma 90.000 _cell_length_a 13.5958 _cell_length_b 13.6077 _cell_length_c 14.4444 _exptl_crystal_F_000 1228.00 _reflns_d_resolution_high 0.7996 _[local]_cod_data_source_file ya6143Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Diaquabis(triphenyltin) succinate.2(1,10-phenanthroline) in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 266.45 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -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 1398.45 1472.88 32.37 o 3 0 0 28855.90 27665.05 242.52 o 4 0 0 13366.57 13179.07 76.55 o 5 0 0 679.49 514.90 17.71 o 6 0 0 105.61 108.91 17.93 o 7 0 0 19080.85 19067.52 103.57 o 8 0 0 21969.82 22021.09 177.33 o 9 0 0 3588.49 3651.14 74.18 o 10 0 0 2743.99 2858.99 51.73 o 11 0 0 13417.79 13394.68 109.92 o 12 0 0 5106.15 5062.18 71.96 o 13 0 0 210.44 226.00 34.10 o 14 0 0 2363.37 2311.84 58.63 o 15 0 0 3790.98 3894.81 86.51 o 16 0 0 782.75 726.08 54.98 o 1 1 0 23727.35 20672.52 598.81 o 2 1 0 44334.79 42186.67 316.27 o 3 1 0 3145.61 3180.06 30.40 o 4 1 0 3425.58 3650.43 21.90 o 5 1 0 2857.64 2836.68 26.40 o 6 1 0 12972.66 12210.71 124.34 o 7 1 0 4184.32 4164.74 40.73 o 8 1 0 222.99 249.00 15.65 o 9 1 0 13945.02 14093.82 117.08 o 10 1 0 19773.03 19596.54 133.42 o 11 1 0 3849.01 3845.28 43.25 o 12 1 0 452.70 429.84 25.40 o 13 1 0 1212.51 1300.00 33.65 o 14 1 0 2921.64 2877.35 46.87 o 15 1 0 644.80 637.17 33.94 o 16 1 0 227.06 238.73 34.47 o 0 2 0 15774.45 15865.49 195.47 o 1 2 0 24048.35 22918.44 145.05 o 2 2 0 2579.15 2710.72 19.67 o 3 2 0 18789.75 18405.37 126.51 o 4 2 0 11305.75 11613.02 81.54 o 5 2 0 9043.39 8886.69 74.03 o 6 2 0 1084.22 1135.09 17.12 o 7 2 0 4457.41 4380.17 34.36 o 8 2 0 7706.64 7796.42 60.23 o 9 2 0 4668.28 4634.21 40.20 o 10 2 0 2450.32 2480.03 32.69 o 11 2 0 1974.85 1968.08 33.66 o 12 2 0 3253.66 3257.54 52.30 o 13 2 0 147.71 140.51 23.66 o 14 2 0 441.66 449.22 30.02 o 15 2 0 1584.60 1590.57 42.40 o 16 2 0 1648.35 1644.19 48.98 o 1 3 0 1278.86 1186.82 15.30 o 2 3 0 182.36 267.98 10.76 o 3 3 0 1024.35 1009.43 15.57 o 4 3 0 63.23 59.79 9.67 o 5 3 0 2081.49 2066.41 25.08 o 6 3 0 7652.34 7669.10 38.08 o 7 3 0 1649.74 1632.05 23.25 o 8 3 0 282.46 314.27 16.14 o 9 3 0 2449.14 2417.35 31.18 o 10 3 0 621.97 615.23 22.95 o 11 3 0 6369.64 6263.78 83.78 o 12 3 0 58.21 52.85 21.48 o 13 3 0 886.03 870.47 32.22 o 14 3 0 383.69 410.43 30.68 o 15 3 0 271.71 293.66 33.44 o 16 3 0 0.60 -11.97 35.58 o 0 4 0 1107.45 1067.16 19.63 o 1 4 0 6917.08 7195.30 39.76 o 2 4 0 307.34 345.40 11.26 o 3 4 0 10572.08 10874.37 65.13 o 4 4 0 1281.79 1323.32 17.67 o 5 4 0 105.54 156.26 12.20 o 6 4 0 280.15 294.00 14.26 o 7 4 0 762.98 818.84 18.77 o 8 4 0 1001.02 1067.42 21.72 o 9 4 0 573.52 589.41 19.98 o 10 4 0 455.10 468.15 20.89 o 11 4 0 744.27 755.75 25.82 o 12 4 0 192.14 187.28 24.52 o 13 4 0 153.32 174.48 25.78 o 14 4 0 234.49 220.33 30.35 o 15 4 0 367.03 345.52 34.07 o 16 4 0 371.67 373.55 43.80 o 1 5 0 2369.74 2447.93 20.75 o 2 5 0 141.63 138.56 10.49 o 3 5 0 23.62 105.47 28.60 o 4 5 0 24.93 24.21 12.18 o 5 5 0 43.21 56.49 12.86 o 6 5 0 10.27 11.96 12.65 o 7 5 0 31.93 45.40 14.12 o 8 5 0 2454.43 2541.49 29.38 o 9 5 0 1118.25 1189.75 24.17 o 10 5 0 393.01 385.75 20.65 o 11 5 0 182.08 194.56 22.41 o 12 5 0 137.65 156.51 23.48 o 13 5 0 7.13 7.93 26.28 o 14 5 0 334.92 344.93 32.05 o 15 5 0 29.41 30.71 31.24 o 0 6 0 2.05 18.27 14.35 o 1 6 0 698.13 701.93 14.89 o 2 6 0 7.95 12.77 11.03 o 3 6 0 2281.48 2367.65 23.45 o 4 6 0 152.76 147.67 14.50 o 5 6 0 751.01 903.04 19.27 o 6 6 0 993.49 1068.05 21.08 o 7 6 0 161.90 228.35 16.43 o 8 6 0 139.78 145.10 16.55 o 9 6 0 2138.34 2094.63 29.73 o 10 6 0 65.58 55.48 19.15 o 11 6 0 29.91 28.85 20.97 o 12 6 0 595.18 583.93 30.78 o 13 6 0 6.58 6.59 26.22 o 14 6 0 5.27 11.19 30.22 o 15 6 0 1.20 -9.60 32.38 o 1 7 0 1134.26 1068.00 17.86 o 2 7 0 7902.74 7965.69 59.59 o 3 7 0 12.53 13.11 12.93 o 4 7 0 1920.76 2143.91 24.72 o 5 7 0 1732.46 1743.40 24.13 o 6 7 0 4693.51 4622.46 37.48 o 7 7 0 1257.23 1270.42 24.32 o 8 7 0 150.17 178.47 18.72 o 9 7 0 1642.24 1652.02 29.96 o 10 7 0 246.19 271.56 23.75 o 11 7 0 1623.34 1580.98 39.22 o 12 7 0 686.00 641.07 32.76 o 13 7 0 577.66 608.18 34.23 o 14 7 0 312.31 319.38 34.43 o 15 7 0 50.78 52.53 35.01 o 0 8 0 12576.90 12529.09 78.83 o 1 8 0 3070.90 3030.11 31.51 o 2 8 0 368.01 367.34 15.44 o 3 8 0 3038.68 2869.01 28.00 o 4 8 0 6868.86 6907.61 42.92 o 5 8 0 3240.49 3215.11 32.69 o 6 8 0 209.10 213.12 18.27 o 7 8 0 1913.98 1874.78 30.01 o 8 8 0 4140.53 4188.01 44.89 o 9 8 0 1039.19 1120.65 31.79 o 10 8 0 77.16 73.17 24.76 o 11 8 0 2719.32 2744.44 48.95 o 12 8 0 2960.29 2878.05 51.57 o 13 8 0 36.86 25.84 29.84 o 14 8 0 12.64 24.02 33.72 o 1 9 0 10490.16 10643.68 53.35 o 2 9 0 16550.46 16229.80 123.05 o 3 9 0 5167.46 5119.96 50.58 o 4 9 0 1036.43 1024.15 23.18 o 5 9 0 4376.35 4360.69 59.74 o 6 9 0 6068.57 5913.60 69.06 o 7 9 0 1796.14 1887.50 32.48 o 8 9 0 63.40 62.73 20.99 o 9 9 0 7611.02 7368.97 98.76 o 10 9 0 6950.62 6890.88 70.77 o 11 9 0 1094.45 1110.10 38.86 o 12 9 0 551.86 595.90 35.44 o 13 9 0 2111.90 2074.94 50.95 o 14 9 0 1119.44 1080.67 46.36 o 0 10 0 26649.25 26162.67 178.00 o 1 10 0 11937.82 11843.77 132.15 o 2 10 0 712.78 657.81 21.59 o 3 10 0 7904.61 7736.58 59.05 o 4 10 0 4448.73 4316.15 52.49 o 5 10 0 2040.92 2024.09 32.78 o 6 10 0 26.84 24.05 18.56 o 7 10 0 4744.32 4673.86 47.76 o 8 10 0 6181.75 6055.22 71.99 o 9 10 0 2248.37 2250.00 41.86 o 10 10 0 868.87 857.38 36.23 o 11 10 0 4441.32 4270.09 65.87 o 12 10 0 2704.42 2681.74 55.03 o 13 10 0 539.42 519.79 40.67 o 1 11 0 10303.90 9975.72 94.74 o 2 11 0 3933.54 3776.16 42.50 o 3 11 0 2448.23 2371.37 33.34 o 4 11 0 73.60 82.73 20.62 o 5 11 0 3622.40 3612.77 42.66 o 6 11 0 5560.42 5577.57 64.68 o 7 11 0 2031.06 1955.92 35.85 o 8 11 0 42.77 45.02 23.11 o 9 11 0 5335.66 5301.80 63.96 o 10 11 0 4231.32 4184.21 59.98 o 11 11 0 1265.71 1276.67 43.77 o 12 11 0 249.41 243.18 37.24 o 0 12 0 4612.62 4468.70 63.35 o 1 12 0 444.07 442.09 23.55 o 2 12 0 1175.09 1149.81 28.67 o 3 12 0 2331.43 2314.59 35.92 o 4 12 0 2748.91 2780.62 39.86 o 5 12 0 1627.29 1631.53 33.56 o 6 12 0 21.10 31.65 22.52 o 7 12 0 1897.14 1923.07 39.12 o 8 12 0 2450.46 2474.29 47.22 o 9 12 0 1220.40 1231.72 40.15 o 10 12 0 18.75 -3.85 28.79 o 11 12 0 1755.21 1753.42 49.13 o 1 13 0 110.58 116.40 21.06 o 2 13 0 1691.43 1695.44 33.98 o 3 13 0 400.02 435.91 26.09 o 4 13 0 0.07 11.44 21.65 o 5 13 0 415.54 444.00 27.69 o 6 13 0 2526.74 2523.49 43.84 o 7 13 0 171.71 159.15 29.06 o 8 13 0 0.15 6.73 28.22 o 9 13 0 838.42 841.82 38.48 o 10 13 0 1143.24 1180.57 43.50 o 0 14 0 590.78 591.37 38.50 o 1 14 0 242.89 268.93 24.77 o 2 14 0 1.41 2.50 23.46 o 3 14 0 357.31 363.63 27.45 o 4 14 0 1083.67 1071.36 34.46 o 5 14 0 132.87 120.45 26.17 o 6 14 0 41.20 32.47 31.46 o 7 14 0 216.96 214.13 35.82 o 8 14 0 203.21 234.73 38.92 o 9 14 0 49.52 51.02 37.12 o 1 15 0 53.00 45.41 27.22 o 2 15 0 136.95 145.00 30.25 o 3 15 0 16.91 22.40 31.33 o 4 15 0 18.19 9.45 32.90 o 5 15 0 226.20 196.67 40.45 o 6 15 0 19.97 51.53 37.15 o 7 15 0 105.99 130.59 41.12 o 0 16 0 72.70 73.40 50.83 o 1 16 0 113.57 81.40 38.01 o 2 16 0 85.71 52.99 38.12 o 3 16 0 75.17 103.47 47.98 o 4 16 0 199.57 239.07 49.80 o 5 16 0 0.50 -0.11 57.49 o -16 1 1 81.43 47.58 31.90 o -15 1 1 384.77 351.03 29.53 o -14 1 1 256.58 265.58 26.50 o -13 1 1 105.35 90.49 23.01 o -12 1 1 69.75 59.05 20.70 o -11 1 1 201.77 222.82 21.41 o -10 1 1 2100.47 2112.85 32.20 o -9 1 1 163.77 171.42 15.88 o -8 1 1 124.21 154.49 13.91 o -7 1 1 125.60 170.86 13.22 o -6 1 1 122.59 207.06 12.04 o -5 1 1 646.52 638.81 13.48 o -4 1 1 1046.67 1043.98 14.02 o -3 1 1 4194.92 4145.78 53.23 o -2 1 1 20912.73 20358.27 174.63 o -1 1 1 52.38 67.25 7.10 o 0 1 1 3899.22 3445.74 54.91 o 1 1 1 7197.92 7336.58 55.35 o 2 1 1 3512.52 3713.72 36.43 o 3 1 1 1307.27 1302.14 13.89 o 4 1 1 57.08 82.09 9.37 o 5 1 1 3.10 15.07 9.87 o 6 1 1 261.62 243.27 12.59 o 7 1 1 2104.06 2326.13 23.68 o 8 1 1 1676.01 1774.87 23.66 o 9 1 1 925.11 973.28 23.29 o 10 1 1 622.79 606.62 22.17 o 11 1 1 446.53 460.06 23.77 o 12 1 1 6.73 4.54 20.54 o 13 1 1 612.55 600.90 29.60 o 14 1 1 890.99 937.16 35.81 o 15 1 1 50.78 50.91 30.18 o 16 1 1 425.06 469.68 38.58 o -16 2 1 725.26 750.03 40.90 o -15 2 1 1013.35 1117.05 41.55 o -14 2 1 61.85 46.20 24.41 o -13 2 1 80.53 85.10 22.75 o -12 2 1 3487.35 3493.43 43.43 o -11 2 1 160.74 173.24 20.51 o -10 2 1 908.81 927.13 24.06 o -9 2 1 4483.36 4663.59 99.13 o -8 2 1 2927.32 2836.98 28.03 o -7 2 1 1394.67 1377.91 19.70 o -6 2 1 548.46 620.72 14.35 o -5 2 1 7109.86 6975.28 38.86 o -4 2 1 3334.28 3139.62 30.00 o -3 2 1 477.21 469.41 11.32 o -2 2 1 3.67 5.72 7.16 o -1 2 1 22797.43 21862.29 156.36 o 0 2 1 10602.84 10519.75 40.50 o 1 2 1 1056.60 1110.25 13.93 o 2 2 1 6783.68 6989.93 33.97 o 3 2 1 1106.87 1317.52 14.87 o 4 2 1 8424.61 8675.80 212.01 o 5 2 1 1177.14 1143.45 17.11 o 6 2 1 6895.41 7369.89 46.96 o 7 2 1 1938.80 1784.57 21.69 o 8 2 1 5444.41 5589.35 37.70 o 9 2 1 958.37 937.01 23.55 o 10 2 1 800.74 783.66 23.35 o 11 2 1 3278.10 3279.88 40.80 o 12 2 1 3628.36 3537.21 44.17 o 13 2 1 1131.21 1125.72 33.60 o 14 2 1 58.27 69.84 26.69 o 15 2 1 719.13 683.39 37.17 o 16 2 1 529.54 554.21 39.50 o -16 3 1 22.62 31.12 33.54 o -15 3 1 647.56 628.06 37.32 o -14 3 1 2053.14 2085.21 47.37 o -13 3 1 529.89 549.76 27.41 o -12 3 1 1177.70 1152.63 30.16 o -11 3 1 3865.51 3918.26 43.79 o -10 3 1 3512.20 3452.91 37.44 o -9 3 1 9334.46 9074.55 86.49 o -8 3 1 0.04 2.89 13.25 o -7 3 1 3718.63 3845.14 29.63 o -6 3 1 18495.63 18834.01 90.03 o -5 3 1 2842.31 2749.81 24.41 o -4 3 1 1118.94 1148.10 15.18 o -3 3 1 112.03 94.21 9.27 o -2 3 1 35476.84 34473.52 211.98 o -1 3 1 5068.92 5338.39 29.48 o 0 3 1 1152.75 1263.12 15.53 o 1 3 1 24299.21 23754.48 125.28 o 2 3 1 52064.75 48694.56 262.79 o 3 3 1 28953.88 28474.96 178.91 o 4 3 1 720.14 921.76 14.56 o 5 3 1 9023.86 9025.44 71.54 o 6 3 1 13710.99 13745.90 62.55 o 7 3 1 73.03 121.64 13.19 o 8 3 1 1148.66 1124.16 21.58 o 9 3 1 9570.15 9357.65 56.62 o 10 3 1 5828.71 5430.76 118.91 o 11 3 1 1617.41 1616.49 32.05 o 12 3 1 327.53 345.56 25.26 o 13 3 1 2499.14 2530.33 44.26 o 14 3 1 2055.86 2026.01 43.47 o 15 3 1 131.85 147.92 31.32 o 16 3 1 2060.98 2122.36 74.67 o -16 4 1 3920.76 3895.20 66.16 o -15 4 1 3519.11 3593.46 61.25 o -14 4 1 136.52 118.35 28.61 o -13 4 1 4966.65 4780.81 60.71 o -12 4 1 3849.11 3881.03 45.76 o -11 4 1 3145.66 3153.67 40.03 o -10 4 1 7.76 5.05 17.25 o -9 4 1 11395.76 11579.85 60.78 o -8 4 1 17794.21 17777.99 132.33 o -7 4 1 10160.08 10374.56 69.14 o -6 4 1 191.56 218.80 13.68 o -5 4 1 22667.64 22982.55 121.81 o -4 4 1 19838.27 19519.48 93.37 o -3 4 1 1872.69 1757.88 18.50 o -2 4 1 17916.38 18766.41 90.60 o -1 4 1 200.01 246.07 10.26 o 0 4 1 39853.59 37863.77 185.96 o 1 4 1 35.21 32.57 8.49 o 2 4 1 1.71 14.40 9.01 o 3 4 1 16314.61 15693.91 73.40 o 4 4 1 22424.22 22064.54 70.78 o 5 4 1 664.95 637.06 15.66 o 6 4 1 980.87 1036.05 19.11 o 7 4 1 11488.93 11528.90 60.90 o 8 4 1 10365.20 10449.83 61.76 o 9 4 1 391.27 385.32 20.28 o 10 4 1 152.41 153.69 17.97 o 11 4 1 2344.85 2296.24 42.04 o 12 4 1 7977.13 7690.47 69.20 o 13 4 1 1696.26 1730.97 39.31 o 14 4 1 438.31 405.65 30.76 o 15 4 1 3673.04 3673.77 62.00 o -16 5 1 351.02 341.20 46.78 o -15 5 1 1214.68 1240.92 44.66 o -14 5 1 7665.12 7344.64 101.05 o -13 5 1 3159.70 3051.69 51.64 o -12 5 1 83.79 72.17 25.31 o -11 5 1 9323.80 9290.75 95.24 o -10 5 1 4048.99 4083.35 41.36 o -9 5 1 5071.79 5001.10 61.36 o -8 5 1 121.79 123.24 15.43 o -7 5 1 12613.73 13111.24 70.60 o -6 5 1 24375.60 24183.56 154.83 o -5 5 1 10846.66 11074.84 102.74 o -4 5 1 1009.40 1103.60 17.34 o -3 5 1 22400.90 22691.22 144.22 o -2 5 1 9218.46 8848.97 45.69 o -1 5 1 268.35 216.18 11.21 o 0 5 1 5710.32 5883.68 40.83 o 1 5 1 16837.58 16605.12 86.24 o 2 5 1 28348.02 28262.94 198.80 o 3 5 1 12368.27 12707.82 66.77 o 4 5 1 4207.83 4194.48 31.38 o 5 5 1 9260.91 8794.36 43.87 o 6 5 1 19413.85 19572.60 118.51 o 7 5 1 2061.10 2164.42 26.32 o 8 5 1 651.88 621.18 19.21 o 9 5 1 1637.33 1664.23 27.70 o 10 5 1 6415.74 6178.82 72.33 o 11 5 1 948.86 966.35 29.70 o 12 5 1 771.21 764.34 29.76 o 13 5 1 4509.98 4314.38 85.34 o 14 5 1 3319.33 3235.53 56.11 o 15 5 1 277.36 275.06 35.25 o -15 6 1 3947.69 3739.10 62.91 o -14 6 1 210.66 218.49 31.79 o -13 6 1 1748.15 1766.83 43.49 o -12 6 1 3863.52 3749.75 53.66 o -11 6 1 2515.00 2581.81 44.59 o -10 6 1 2734.50 2693.40 42.29 o -9 6 1 2290.98 2268.45 30.63 o -8 6 1 22511.29 22559.69 136.28 o -7 6 1 7820.33 7821.98 100.96 o -6 6 1 175.09 177.32 15.53 o -5 6 1 10636.04 10619.53 66.86 o -4 6 1 15355.71 15125.81 181.38 o -3 6 1 2043.47 1777.62 20.85 o -2 6 1 4383.32 4698.73 30.10 o -1 6 1 6038.10 5834.49 50.44 o 0 6 1 7177.11 6778.19 35.16 o 1 6 1 999.14 955.53 16.36 o 2 6 1 142.71 123.93 11.94 o 3 6 1 17089.16 16953.80 81.00 o 4 6 1 9993.90 9640.70 53.23 o 5 6 1 2019.77 2005.76 23.51 o 6 6 1 278.08 278.92 16.07 o 7 6 1 15668.12 15833.81 99.01 o 8 6 1 1091.81 1110.87 24.35 o 9 6 1 4008.12 3959.68 41.68 o 10 6 1 2834.24 2890.16 39.30 o 11 6 1 2861.40 2822.16 42.86 o 12 6 1 3955.47 3905.83 51.45 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