#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/78/2207870.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_2207870_Fobs loop_ _publ_author_name 'Chen, Shao-Wen' 'Yin, Han-Dong' 'Wang, Da-Qi' _publ_section_title ; [2-Oxido-1-naphthaldehyde oxido(4-pyridyl)methylhydrazone]diphenyltin(IV) ; _journal_coeditor_code SG6041 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m28 _journal_page_last m29 _journal_volume 62 _journal_year 2006 _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 112.380 _cell_angle_gamma 90.000 _cell_length_a 10.2835 _cell_length_b 21.0596 _cell_length_c 11.9843 _exptl_crystal_F_000 1128.00 _reflns_d_resolution_high 0.8406 _[local]_cod_data_source_file sg6041Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 051025f in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 346.53 _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 1 0 0 31367.63 26879.10 847.05 o 2 0 0 31112.29 29717.75 678.88 o 3 0 0 17151.36 17232.99 400.72 o 4 0 0 11595.05 12112.75 289.53 o 5 0 0 12890.42 14154.82 476.35 o 6 0 0 13934.44 14510.90 299.33 o 7 0 0 10659.17 10510.12 378.66 o 8 0 0 1318.61 1245.66 86.39 o 9 0 0 1467.70 1525.47 103.23 o 10 0 0 93.28 136.33 52.48 o 11 0 0 740.36 911.51 100.23 o 2 1 0 135.56 163.63 7.23 o 3 1 0 4.08 7.34 7.84 o 4 1 0 2208.65 2292.98 43.31 o 5 1 0 52.52 36.59 7.99 o 6 1 0 346.67 304.20 20.43 o 7 1 0 420.45 428.70 38.83 o 8 1 0 48.55 27.94 19.15 o 9 1 0 464.47 533.32 50.34 o 10 1 0 237.63 250.43 42.40 o 11 1 0 218.80 241.42 44.35 o 0 2 0 18131.20 18830.41 679.92 o 1 2 0 18.15 -8.02 8.02 o 2 2 0 4710.23 4995.10 119.05 o 3 2 0 1621.93 1746.96 41.39 o 4 2 0 2167.10 2282.62 60.63 o 5 2 0 747.88 764.31 24.26 o 6 2 0 524.89 434.40 20.30 o 7 2 0 863.46 769.67 45.14 o 8 2 0 64.08 29.70 21.87 o 9 2 0 58.51 65.06 28.07 o 10 2 0 13.86 -24.83 24.83 o 11 2 0 7.39 -40.02 40.02 o 1 3 0 9176.97 9416.25 210.06 o 2 3 0 10574.78 11319.39 190.26 o 3 3 0 4371.68 4754.67 77.27 o 4 3 0 1.20 -0.76 6.04 o 5 3 0 64.87 57.39 9.84 o 6 3 0 562.27 552.33 23.37 o 7 3 0 986.49 1050.79 52.37 o 8 3 0 295.76 400.27 40.35 o 9 3 0 765.72 723.99 60.61 o 10 3 0 374.29 491.45 78.55 o 11 3 0 339.60 376.89 55.34 o 0 4 0 30299.45 32699.75 766.91 o 1 4 0 20448.78 21340.70 776.70 o 2 4 0 40447.69 42488.11 693.28 o 3 4 0 11130.37 11253.07 236.05 o 4 4 0 28219.64 29148.26 743.46 o 5 4 0 9265.03 9309.39 292.26 o 6 4 0 4125.57 4287.52 86.53 o 7 4 0 5030.75 5171.80 204.03 o 8 4 0 4120.96 4155.51 131.58 o 9 4 0 1291.12 1403.09 103.00 o 10 4 0 1137.26 1264.46 129.42 o 11 4 0 783.82 934.53 75.95 o 1 5 0 72.50 73.64 9.31 o 2 5 0 2885.15 3111.40 71.94 o 3 5 0 18.26 12.70 6.54 o 4 5 0 4254.23 4800.93 106.20 o 5 5 0 912.94 928.35 26.17 o 6 5 0 24.52 3.09 9.08 o 7 5 0 52.19 51.65 26.99 o 8 5 0 201.03 221.90 27.89 o 9 5 0 98.98 75.46 32.00 o 10 5 0 87.21 28.51 31.60 o 11 5 0 60.41 95.81 41.10 o 0 6 0 1558.44 1756.79 56.22 o 1 6 0 17.37 12.59 11.72 o 2 6 0 5162.87 5306.55 138.98 o 3 6 0 11094.86 12260.15 187.36 o 4 6 0 13465.63 15135.68 292.66 o 5 6 0 1957.58 1897.89 41.96 o 6 6 0 1667.15 1629.35 40.23 o 7 6 0 1195.95 1116.37 45.94 o 8 6 0 1297.66 1143.27 65.82 o 9 6 0 1275.78 1300.96 73.76 o 10 6 0 448.17 436.39 54.54 o 1 7 0 51.68 65.11 10.89 o 2 7 0 46.39 62.64 11.67 o 3 7 0 5881.01 6022.45 117.97 o 4 7 0 4055.79 4315.63 76.33 o 5 7 0 1295.30 1368.01 34.63 o 6 7 0 2883.98 2924.37 60.52 o 7 7 0 1540.98 1463.50 71.39 o 8 7 0 796.58 877.02 58.17 o 9 7 0 585.55 628.81 92.67 o 10 7 0 703.73 859.36 111.01 o 0 8 0 6373.56 6032.67 230.22 o 1 8 0 14635.83 14630.35 294.78 o 2 8 0 11601.08 12501.80 352.02 o 3 8 0 5881.60 5991.49 114.94 o 4 8 0 6954.67 7083.63 117.54 o 5 8 0 4729.67 4939.56 88.94 o 6 8 0 3399.40 3521.48 81.23 o 7 8 0 1381.71 1515.61 74.52 o 8 8 0 444.13 411.71 48.58 o 9 8 0 152.01 179.31 39.46 o 10 8 0 488.08 500.18 60.54 o 1 9 0 1131.60 1218.49 40.85 o 2 9 0 21.00 25.94 9.29 o 3 9 0 14.32 1.89 9.39 o 4 9 0 86.42 99.66 12.05 o 5 9 0 580.61 565.58 28.20 o 6 9 0 784.12 797.08 34.25 o 7 9 0 120.18 99.02 41.98 o 8 9 0 363.81 344.86 47.46 o 9 9 0 0.06 1.17 28.76 o 10 9 0 12.68 32.25 34.74 o 0 10 0 2716.24 2290.63 112.34 o 1 10 0 17946.79 18543.37 319.74 o 2 10 0 6479.16 6487.01 123.81 o 3 10 0 7235.31 7254.40 227.99 o 4 10 0 7283.31 7392.33 234.93 o 5 10 0 3713.25 3824.41 87.02 o 6 10 0 2670.61 2780.10 71.55 o 7 10 0 1702.60 1842.79 121.97 o 8 10 0 1558.48 1524.31 81.47 o 9 10 0 802.75 783.15 67.77 o 10 10 0 827.23 939.66 78.69 o 1 11 0 114.67 165.33 23.50 o 2 11 0 942.20 954.93 32.65 o 3 11 0 0.54 0.23 11.82 o 4 11 0 1.60 0.09 12.14 o 5 11 0 343.10 340.15 26.12 o 6 11 0 1322.36 1347.21 47.26 o 7 11 0 469.12 574.89 76.07 o 8 11 0 83.49 72.75 34.61 o 9 11 0 481.62 539.91 59.17 o 10 11 0 217.25 181.99 45.11 o 0 12 0 6047.03 6628.36 174.31 o 1 12 0 936.75 839.89 24.29 o 2 12 0 212.84 198.75 18.68 o 3 12 0 1117.19 1080.17 37.50 o 4 12 0 1050.25 1078.54 39.18 o 5 12 0 454.21 493.26 34.05 o 6 12 0 525.00 585.95 35.00 o 7 12 0 128.48 52.84 29.98 o 8 12 0 12.19 -12.61 34.20 o 9 12 0 15.84 11.51 34.35 o 1 13 0 48.23 43.72 9.24 o 2 13 0 499.21 481.50 26.27 o 3 13 0 352.60 312.26 25.47 o 4 13 0 91.36 116.08 18.25 o 5 13 0 51.83 44.09 15.24 o 6 13 0 105.63 90.66 20.59 o 7 13 0 4.02 -21.47 25.54 o 8 13 0 348.33 279.22 47.69 o 9 13 0 86.57 44.85 35.07 o 0 14 0 7911.16 8030.66 209.07 o 1 14 0 8365.01 8375.33 159.72 o 2 14 0 6682.12 6412.03 129.40 o 3 14 0 9597.57 9942.58 241.31 o 4 14 0 5053.86 5341.76 182.59 o 5 14 0 2046.34 2111.41 62.63 o 6 14 0 2052.43 2117.59 79.31 o 7 14 0 2907.10 2817.57 116.77 o 8 14 0 1171.42 1070.86 71.24 o 9 14 0 849.99 901.37 78.03 o 1 15 0 102.31 118.27 22.23 o 2 15 0 401.44 452.45 34.66 o 3 15 0 1157.66 1150.25 58.35 o 4 15 0 83.67 54.35 16.77 o 5 15 0 654.76 661.46 35.90 o 6 15 0 310.98 254.36 29.17 o 7 15 0 679.54 771.78 69.20 o 8 15 0 256.87 252.95 46.15 o 9 15 0 111.74 72.49 51.67 o 0 16 0 764.02 656.84 67.93 o 1 16 0 352.05 341.95 34.97 o 2 16 0 890.14 821.59 35.96 o 3 16 0 513.37 480.75 32.56 o 4 16 0 104.11 65.41 19.36 o 5 16 0 252.60 222.90 26.32 o 6 16 0 408.25 397.93 48.54 o 7 16 0 96.64 58.60 33.68 o 8 16 0 15.27 -10.61 32.43 o 1 17 0 710.70 666.87 61.71 o 2 17 0 1190.71 1112.56 42.60 o 3 17 0 524.71 531.29 35.05 o 4 17 0 39.11 20.30 18.15 o 5 17 0 2.02 -20.22 20.22 o 6 17 0 265.61 225.62 29.47 o 7 17 0 288.51 279.93 47.95 o 8 17 0 267.08 291.28 51.61 o 0 18 0 3524.42 3393.38 181.43 o 1 18 0 1297.91 1401.73 74.97 o 2 18 0 1685.45 1683.48 66.06 o 3 18 0 3353.62 3312.32 85.89 o 4 18 0 1704.28 1745.25 63.26 o 5 18 0 996.65 1051.08 46.97 o 6 18 0 1157.29 1186.47 51.31 o 7 18 0 1060.31 1171.41 96.31 o 1 19 0 83.40 101.04 31.82 o 2 19 0 0.13 1.62 18.88 o 3 19 0 104.43 71.46 44.70 o 4 19 0 117.48 100.45 22.60 o 5 19 0 55.18 35.17 19.88 o 6 19 0 44.99 26.31 22.07 o 7 19 0 88.18 77.20 36.69 o 0 20 0 954.82 992.94 95.50 o 1 20 0 780.04 761.76 62.63 o 2 20 0 795.21 879.30 65.53 o 3 20 0 372.98 385.89 40.06 o 4 20 0 480.67 454.19 37.79 o 5 20 0 850.54 831.94 45.64 o 6 20 0 499.21 567.61 42.76 o 1 21 0 145.77 166.59 42.43 o 2 21 0 204.74 219.35 45.64 o 3 21 0 10.67 -21.00 21.00 o 4 21 0 75.83 25.76 27.04 o 5 21 0 99.37 51.96 26.44 o 6 21 0 288.49 331.78 44.75 o 0 22 0 1115.70 1245.08 111.53 o 1 22 0 697.63 840.64 74.37 o 2 22 0 1081.55 1059.46 74.49 o 3 22 0 630.46 691.86 58.54 o 4 22 0 410.62 414.77 50.13 o 5 22 0 326.75 383.27 46.04 o 1 23 0 56.48 23.60 35.73 o 2 23 0 144.27 194.34 66.44 o 3 23 0 43.19 17.88 33.06 o 4 23 0 65.81 70.11 30.32 o 0 24 0 1336.54 1264.92 119.61 o 1 24 0 897.62 1013.95 78.82 o 2 24 0 1024.70 1115.60 80.40 o 3 24 0 856.54 974.09 78.98 o -11 1 1 277.88 337.08 51.62 o -10 1 1 1393.96 1388.63 71.84 o -9 1 1 971.23 903.54 54.11 o -8 1 1 1061.50 1035.44 54.99 o -7 1 1 759.20 676.81 25.40 o -6 1 1 783.21 711.43 24.24 o -5 1 1 1740.93 1642.06 41.02 o -4 1 1 603.39 460.31 33.68 o -3 1 1 30.21 12.34 6.62 o -2 1 1 2362.27 2514.96 95.96 o -1 1 1 3143.92 3385.40 197.58 o 0 1 1 7556.37 7950.82 181.86 o 1 1 1 2550.92 2677.16 67.81 o 2 1 1 2050.56 2311.84 63.17 o 3 1 1 227.78 253.40 13.09 o 4 1 1 127.80 135.93 9.51 o 5 1 1 21.58 3.01 11.40 o 6 1 1 366.74 382.94 34.81 o 7 1 1 341.93 403.29 52.47 o 8 1 1 2947.36 3034.67 282.23 o 9 1 1 1161.10 1109.66 111.54 o 10 1 1 62.70 53.55 30.54 o -11 2 1 439.64 587.87 83.04 o -10 2 1 809.87 931.09 79.12 o -9 2 1 182.78 180.72 33.79 o -8 2 1 4733.68 4763.25 144.97 o -7 2 1 6807.03 6926.12 132.19 o -6 2 1 13149.87 13807.33 218.91 o -5 2 1 11475.84 11834.92 211.05 o -4 2 1 12728.86 12971.88 268.15 o -3 2 1 4587.50 4488.86 182.09 o -2 2 1 21189.15 21839.86 421.01 o -1 2 1 41231.34 38991.02 743.66 o 0 2 1 32199.28 33214.30 480.70 o 1 2 1 62381.43 57075.67 877.23 o 2 2 1 18871.94 20075.27 510.54 o 3 2 1 22824.13 22864.30 373.47 o 4 2 1 5368.84 5165.35 93.86 o 5 2 1 13085.63 12635.09 236.21 o 6 2 1 6744.98 7048.05 349.19 o 7 2 1 7797.57 8170.68 233.56 o 8 2 1 474.32 527.99 47.80 o 9 2 1 3267.67 3328.21 119.76 o 10 2 1 1351.16 1308.96 74.53 o -11 3 1 21.61 10.50 48.79 o -10 3 1 276.20 195.38 57.67 o -9 3 1 215.33 173.19 31.85 o -8 3 1 176.45 214.56 31.40 o -7 3 1 115.80 109.61 16.35 o -6 3 1 1087.77 1000.79 31.99 o -5 3 1 561.45 538.48 23.83 o -4 3 1 1666.01 1505.59 40.59 o -3 3 1 700.60 774.10 27.68 o -2 3 1 24746.22 26917.55 518.16 o -1 3 1 338.41 325.79 14.64 o 0 3 1 1900.61 1996.42 33.56 o 1 3 1 4850.19 4863.31 154.56 o 2 3 1 30.74 41.39 9.37 o 3 3 1 33.96 23.10 6.82 o 4 3 1 5883.52 6834.61 121.36 o 5 3 1 81.18 63.33 12.37 o 6 3 1 8.71 -12.13 12.13 o 7 3 1 5.80 -3.71 17.83 o 8 3 1 522.92 576.64 50.10 o 9 3 1 37.00 41.28 27.30 o 10 3 1 7.22 -2.88 39.68 o -11 4 1 202.55 245.23 57.55 o -10 4 1 405.02 410.70 51.35 o -9 4 1 249.05 190.89 50.86 o -8 4 1 225.42 243.70 31.89 o -7 4 1 1002.23 966.82 34.10 o -6 4 1 330.19 343.33 25.04 o -5 4 1 2114.45 2200.35 61.15 o -4 4 1 3388.18 3499.13 69.19 o -3 4 1 4318.06 4042.65 96.84 o -2 4 1 38016.93 38756.87 927.10 o -1 4 1 15338.13 15888.09 580.54 o 0 4 1 223.93 192.14 7.33 o 1 4 1 557.06 601.41 27.25 o 2 4 1 1856.11 1897.59 35.82 o 3 4 1 1489.13 1404.76 30.13 o 4 4 1 405.14 291.07 13.90 o 5 4 1 4139.84 4015.69 79.19 o 6 4 1 1639.62 1692.17 65.87 o 7 4 1 476.14 465.46 40.73 o 8 4 1 1.85 9.42 21.91 o 9 4 1 561.29 584.48 57.66 o 10 4 1 323.33 329.81 51.08 o -11 5 1 518.80 583.90 76.30 o -10 5 1 920.29 1002.48 72.32 o -9 5 1 600.07 692.56 60.35 o -8 5 1 1712.79 1710.74 60.47 o -7 5 1 2080.54 1962.04 51.80 o -6 5 1 3862.17 3835.06 72.98 o -5 5 1 697.03 555.11 21.74 o -4 5 1 2740.90 2895.50 95.66 o -3 5 1 6.50 7.49 6.69 o -2 5 1 2405.63 2429.70 58.81 o -1 5 1 109.32 81.44 10.43 o 0 5 1 262.65 240.16 13.16 o 1 5 1 1014.77 1018.33 21.96 o 2 5 1 1112.65 1219.37 26.75 o 3 5 1 575.84 646.62 22.71 o 4 5 1 1206.31 1288.69 34.59 o 5 5 1 1081.46 1128.68 30.32 o 6 5 1 469.20 465.98 30.04 o 7 5 1 51.48 34.77 19.51 o 8 5 1 50.11 39.25 20.02 o 9 5 1 181.55 198.56 41.18 o 10 5 1 190.44 229.92 45.10 o -11 6 1 89.62 45.13 50.86 o -10 6 1 538.18 579.79 83.62 o -9 6 1 596.55 642.33 58.62 o -8 6 1 1127.96 1207.89 84.84 o -7 6 1 1824.53 1782.36 44.20 o -6 6 1 5674.64 5542.72 98.39 o -5 6 1 3096.30 3076.87 65.28 o -4 6 1 7546.48 7422.16 169.44 o -3 6 1 13173.49 13551.80 273.39 o -2 6 1 21399.87 22811.55 1129.63 o -1 6 1 50633.23 50138.77 1263.48 o 0 6 1 6902.82 7254.49 293.69 o 1 6 1 8082.33 8422.19 129.49 o 2 6 1 13883.58 14078.22 236.48 o 3 6 1 16580.10 17159.90 286.46 o 4 6 1 9263.46 9422.49 150.31 o 5 6 1 10930.10 11425.09 202.54 o 6 6 1 3785.96 3666.48 101.62 o 7 6 1 2738.51 2849.43 83.54 o 8 6 1 2150.25 2170.61 96.10 o 9 6 1 1379.97 1488.18 91.58 o 10 6 1 791.85 806.61 70.18 o -11 7 1 0.42 -31.96 31.96 o -10 7 1 41.86 7.64 32.64 o -9 7 1 38.40 16.18 27.44 o -8 7 1 10.41 -21.19 21.19 o -7 7 1 16.76 6.46 12.31 o -6 7 1 576.87 593.20 23.44 o -5 7 1 108.29 106.24 12.42 o -4 7 1 4641.34 4970.86 153.94 o -3 7 1 1183.34 1116.52 47.84 o -2 7 1 149.60 120.03 14.26 o -1 7 1 107.12 79.95 8.08 o 0 7 1 1388.05 1484.54 35.10 o 1 7 1 1188.56 1274.70 27.24 o 2 7 1 658.26 650.94 34.22 o 3 7 1 3970.65 4271.77 91.86 o 4 7 1 3.71 0.88 8.43 o 5 7 1 47.34 45.67 11.58 o 6 7 1 361.09 357.89 25.41 o 7 7 1 63.13 54.28 28.57 o 8 7 1 19.64 31.53 27.21 o 9 7 1 160.72 142.44 40.68 o 10 7 1 17.56 37.73 36.39 o -11 8 1 356.56 418.06 58.87 o -10 8 1 551.03 612.77 80.22 o -9 8 1 1963.43 1966.90 189.73 o -8 8 1 1028.65 1001.90 61.69 o -7 8 1 644.31 653.65 32.51 o -6 8 1 2077.98 2140.00 57.94 o -5 8 1 5298.06 5327.68 110.02 o -4 8 1 6662.23 6753.21 143.77 o -3 8 1 16316.74 16379.12 330.30 o -2 8 1 10486.21 10826.47 233.29 o -1 8 1 791.10 636.15 23.74 o 0 8 1 14026.96 14075.01 293.62 o 1 8 1 10958.68 10500.21 184.48 o 2 8 1 17241.29 18573.19 408.26 o 3 8 1 17371.97 18400.52 278.57 o 4 8 1 4725.60 4682.63 83.88 o 5 8 1 5682.38 5824.12 108.91 o 6 8 1 5025.37 5060.63 124.92 o 7 8 1 2364.32 2347.60 122.20 o 8 8 1 2825.11 2820.47 223.81 o 9 8 1 741.37 872.15 72.54 o 10 8 1 503.99 538.14 63.15 o -10 9 1 687.09 925.52 159.40 o -9 9 1 666.92 787.80 68.45 o -8 9 1 539.39 600.30 55.16 o -7 9 1 615.54 577.28 32.32 o -6 9 1 2707.32 2603.42 67.09 o -5 9 1 2232.71 2094.80 64.63 o -4 9 1 2525.53 2288.51 110.64 o -3 9 1 3694.31 3716.45 149.31 o -2 9 1 45.92 57.68 13.30 o -1 9 1 4.53 -1.19 5.64 o 0 9 1 1310.99 1348.37 44.20 o 1 9 1 232.65 254.48 17.31 o 2 9 1 9.04 15.34 8.22 o 3 9 1 79.92 89.59 14.78 o 4 9 1 29.07 17.92 10.02 o 5 9 1 124.30 141.17 17.82 o 6 9 1 22.07 29.92 16.88 o 7 9 1 770.89 733.56 55.87 o 8 9 1 200.55 132.66 35.07 o 9 9 1 372.31 412.47 52.78 o 10 9 1 400.94 340.38 57.70 o -10 10 1 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