#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/53/2015338.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_2015338_Fobs loop_ _publ_author_name 'Zhang, Qi-Wei' 'Wen, Yi-Hang' 'Feng, Yun-Long' _publ_section_title ; Poly[(\m~2~-1,3-di-4-pyridylpropane-\k^2^N:N')(\m~3~-glutarato-\k^3^O:O':O'')dizinc(II)] ; _journal_coeditor_code AV3006 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m255 _journal_page_last m257 _journal_volume 62 _journal_year 2006 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 106.838 _cell_angle_gamma 90.000 _cell_length_a 10.5886 _cell_length_b 14.0238 _cell_length_c 17.1346 _exptl_crystal_F_000 1208.00 _reflns_d_resolution_high 0.8381 _[local]_cod_data_source_file av3006Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' a in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 424.52 _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, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -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 180221.41 131834.08 3309.48 o 4 0 0 8497.42 8307.92 237.09 o 6 0 0 37181.93 40064.89 1042.05 o 8 0 0 21864.47 23994.94 659.94 o 10 0 0 11824.73 11785.23 372.34 o 12 0 0 2826.90 2853.22 193.91 o 1 1 0 49.93 62.66 12.63 o 3 1 0 636.37 712.38 60.70 o 5 1 0 958.75 1189.45 49.83 o 7 1 0 851.25 794.78 54.15 o 9 1 0 610.89 576.95 64.76 o 11 1 0 1.28 -71.29 71.29 o 0 2 0 51467.43 46909.18 1877.57 o 2 2 0 4552.78 5252.33 163.36 o 4 2 0 12176.33 12039.17 233.15 o 6 2 0 23505.79 23982.41 454.46 o 8 2 0 6491.05 6280.73 153.81 o 10 2 0 3279.60 3678.49 133.08 o 1 3 0 12276.45 12778.64 192.74 o 3 3 0 10132.28 10192.97 304.71 o 5 3 0 211.77 201.64 35.84 o 7 3 0 894.67 884.66 152.36 o 9 3 0 546.12 594.13 83.92 o 11 3 0 34.87 223.62 96.14 o 0 4 0 1390.69 1770.20 44.98 o 2 4 0 20746.62 20918.21 320.10 o 4 4 0 64048.95 64438.82 1160.57 o 6 4 0 27331.23 29120.92 546.92 o 8 4 0 4051.24 4194.21 121.10 o 10 4 0 1415.09 1692.35 91.30 o 1 5 0 9435.50 9772.75 169.58 o 3 5 0 16040.01 17692.26 274.58 o 5 5 0 1327.68 1404.12 56.53 o 7 5 0 617.46 587.27 51.61 o 9 5 0 730.79 734.21 77.81 o 11 5 0 1.34 62.74 105.92 o 0 6 0 28337.97 28385.03 941.43 o 2 6 0 39805.58 39805.40 512.02 o 4 6 0 20128.36 20574.03 320.85 o 6 6 0 9026.70 9659.89 363.21 o 8 6 0 5379.91 5607.61 276.21 o 10 6 0 3261.21 3589.75 196.35 o 1 7 0 2822.89 2619.08 49.99 o 3 7 0 2454.00 2265.07 55.40 o 5 7 0 32.15 7.92 29.69 o 7 7 0 662.86 643.30 53.78 o 9 7 0 2095.85 2153.36 161.32 o 0 8 0 7658.07 7267.09 226.91 o 2 8 0 12450.55 12041.99 251.07 o 4 8 0 3071.25 2745.21 160.05 o 6 8 0 853.38 845.76 76.93 o 8 8 0 1513.95 1638.24 100.12 o 10 8 0 1134.49 1244.11 149.10 o 1 9 0 4657.67 4861.75 114.66 o 3 9 0 143.32 207.42 55.80 o 5 9 0 16.11 -60.14 113.25 o 7 9 0 30.00 22.83 62.05 o 9 9 0 414.34 304.30 98.18 o 0 10 0 1359.23 1446.17 102.66 o 2 10 0 7734.06 7931.10 149.86 o 4 10 0 9989.95 10015.58 229.91 o 6 10 0 3941.80 3877.89 142.48 o 8 10 0 2178.66 2152.49 117.25 o 1 11 0 5896.68 6267.30 246.87 o 3 11 0 3201.24 3551.40 140.17 o 5 11 0 4786.80 4971.35 387.82 o 7 11 0 1587.27 1493.80 110.71 o 9 11 0 643.17 649.15 115.07 o 0 12 0 2259.85 2472.74 148.28 o 2 12 0 2477.29 2525.98 103.58 o 4 12 0 2535.15 2783.97 171.91 o 6 12 0 1388.86 1347.57 110.02 o 8 12 0 2084.42 1770.24 142.99 o 1 13 0 1286.76 1439.56 95.63 o 3 13 0 1242.29 1399.91 115.29 o 5 13 0 2172.96 1913.01 186.58 o 7 13 0 1804.21 1862.50 175.17 o 0 14 0 8466.98 8876.60 329.16 o 2 14 0 3606.86 3576.46 143.84 o 4 14 0 1570.02 1686.51 162.13 o 6 14 0 765.94 1008.65 158.87 o 1 15 0 644.25 606.34 88.70 o 3 15 0 366.09 234.65 129.54 o 5 15 0 95.84 48.07 123.84 o 0 16 0 1153.48 1155.30 167.02 o 2 16 0 477.57 714.52 112.05 o -11 1 1 1324.21 1606.32 128.32 o -9 1 1 2446.54 2573.98 99.81 o -7 1 1 10885.82 11505.29 240.30 o -5 1 1 26400.11 27411.22 508.35 o -3 1 1 8286.85 8400.49 163.04 o -1 1 1 56633.27 49695.64 883.80 o 1 1 1 32405.14 31230.35 455.88 o 3 1 1 3241.28 2872.45 113.66 o 5 1 1 16765.16 17155.00 336.90 o 7 1 1 5576.65 5348.96 222.02 o 9 1 1 2792.48 2864.43 170.69 o 11 1 1 1823.00 1901.83 106.23 o -12 2 1 37.93 -60.90 60.90 o -10 2 1 16.82 50.42 54.33 o -8 2 1 709.26 720.41 91.66 o -6 2 1 142.23 142.27 30.39 o -4 2 1 4227.30 4750.67 230.16 o -2 2 1 23998.23 24365.96 510.44 o 0 2 1 204.31 286.78 8.21 o 2 2 1 19506.67 19845.75 296.34 o 4 2 1 431.43 504.57 60.29 o 6 2 1 1273.69 1209.91 57.90 o 8 2 1 1324.13 1356.83 99.81 o 10 2 1 1384.24 1458.95 94.09 o -11 3 1 4487.65 4409.68 207.35 o -9 3 1 7611.86 7841.14 265.20 o -7 3 1 17965.80 19099.27 373.60 o -5 3 1 33767.07 33871.00 623.93 o -3 3 1 11020.22 11203.23 321.01 o -1 3 1 60553.87 54560.85 689.41 o 1 3 1 73122.26 68860.54 905.62 o 3 3 1 11872.31 11717.57 415.52 o 5 3 1 23962.40 24172.46 452.61 o 7 3 1 7567.88 8046.00 231.79 o 9 3 1 577.01 640.05 65.74 o 11 3 1 803.34 914.98 88.09 o -10 4 1 158.41 259.81 161.73 o -8 4 1 15.77 -64.36 64.36 o -6 4 1 1625.08 1780.91 66.30 o -4 4 1 2584.97 2838.96 116.51 o -2 4 1 2329.83 2415.73 67.22 o 0 4 1 28859.52 30098.51 384.60 o 2 4 1 94.32 103.91 11.61 o 4 4 1 6.84 103.64 22.95 o 6 4 1 554.65 614.14 51.85 o 8 4 1 8.33 58.30 72.10 o 10 4 1 196.53 294.37 65.96 o -11 5 1 1885.29 1973.49 127.91 o -9 5 1 2581.69 2551.29 96.68 o -7 5 1 5832.39 6375.52 318.97 o -5 5 1 5462.62 5617.53 197.17 o -3 5 1 4239.21 3846.73 87.00 o -1 5 1 7260.89 6506.28 142.44 o 1 5 1 22232.75 21210.89 275.70 o 3 5 1 15631.09 15827.61 246.78 o 5 5 1 8661.77 8519.13 216.66 o 7 5 1 7639.50 7846.21 167.59 o 9 5 1 2092.22 2290.78 133.21 o 11 5 1 1385.17 1506.46 149.91 o -10 6 1 313.10 425.93 74.59 o -8 6 1 188.33 215.71 56.72 o -6 6 1 5.44 85.81 39.30 o -4 6 1 1339.92 1272.38 46.72 o -2 6 1 313.76 230.45 32.73 o 0 6 1 2450.92 2703.11 63.74 o 2 6 1 4927.11 5000.88 76.67 o 4 6 1 5819.88 5765.75 108.31 o 6 6 1 2024.97 1980.74 74.48 o 8 6 1 1180.96 1262.80 67.97 o 10 6 1 97.64 11.41 105.10 o -11 7 1 1143.76 1254.70 179.24 o -9 7 1 1465.91 1573.20 230.98 o -7 7 1 2646.06 2878.19 84.63 o -5 7 1 7998.51 8587.34 202.60 o -3 7 1 35372.88 36650.41 551.93 o -1 7 1 10981.30 11120.28 193.57 o 1 7 1 7829.41 7773.70 113.18 o 3 7 1 10589.10 11269.54 161.23 o 5 7 1 709.24 801.59 48.75 o 7 7 1 1682.90 1583.21 131.58 o 9 7 1 1247.78 1089.31 131.17 o -10 8 1 204.23 16.29 102.66 o -8 8 1 1340.04 1647.35 111.32 o -6 8 1 1002.22 962.41 56.21 o -4 8 1 1487.31 1643.89 53.00 o -2 8 1 3872.80 3968.78 73.21 o 0 8 1 4392.69 4680.93 77.61 o 2 8 1 3019.90 3030.83 58.04 o 4 8 1 670.50 631.60 159.28 o 6 8 1 29.13 71.48 58.66 o 8 8 1 638.85 620.79 202.87 o 10 8 1 532.51 642.83 166.21 o -9 9 1 1447.26 1305.29 127.10 o -7 9 1 850.64 729.08 80.56 o -5 9 1 3258.54 3416.28 119.63 o -3 9 1 14334.06 15524.69 252.37 o -1 9 1 2451.50 2356.56 54.49 o 1 9 1 1916.64 2047.08 60.51 o 3 9 1 8285.20 8726.55 223.56 o 5 9 1 2522.53 2567.63 102.62 o 7 9 1 1574.86 1676.64 173.13 o 9 9 1 1179.03 963.84 154.80 o -8 10 1 419.67 462.20 104.69 o -6 10 1 239.72 214.85 67.91 o -4 10 1 985.72 957.32 97.77 o -2 10 1 3603.99 3597.99 87.84 o 0 10 1 2565.28 2569.16 139.74 o 2 10 1 102.43 79.18 37.17 o 4 10 1 977.72 976.70 81.18 o 6 10 1 127.64 138.16 180.87 o 8 10 1 332.17 304.43 99.40 o -9 11 1 2058.36 2085.08 452.59 o -7 11 1 2337.60 2438.27 224.46 o -5 11 1 2892.13 2809.55 122.12 o -3 11 1 3273.77 3200.30 173.54 o -1 11 1 4149.96 4085.27 125.02 o 1 11 1 5146.38 5293.86 259.50 o 3 11 1 5802.39 5719.92 200.38 o 5 11 1 3478.08 3498.08 329.97 o 7 11 1 1652.85 1668.87 115.29 o -8 12 1 496.10 589.72 172.73 o -6 12 1 721.64 726.21 90.44 o -4 12 1 262.84 212.65 101.84 o -2 12 1 316.94 269.82 63.39 o 0 12 1 1532.57 1751.18 94.66 o 2 12 1 539.40 570.55 77.81 o 4 12 1 1935.26 2137.15 112.05 o 6 12 1 1118.59 1157.81 118.14 o 8 12 1 105.15 158.69 97.23 o -7 13 1 610.53 786.23 143.39 o -5 13 1 852.70 917.40 158.06 o -3 13 1 501.80 503.51 123.84 o -1 13 1 1907.76 2083.14 111.87 o 1 13 1 1082.94 1107.81 86.90 o 3 13 1 277.19 275.20 88.81 o 5 13 1 447.03 396.78 145.02 o 7 13 1 169.36 86.52 88.12 o -6 14 1 1512.98 1464.09 177.61 o -4 14 1 267.95 241.16 119.77 o -2 14 1 150.36 102.13 70.08 o 0 14 1 1706.47 1896.05 109.96 o 2 14 1 1420.37 1861.34 165.80 o 4 14 1 530.00 461.96 138.51 o 6 14 1 367.73 402.48 148.28 o -5 15 1 754.29 698.23 182.50 o -3 15 1 975.44 831.85 153.17 o -1 15 1 1390.67 1496.33 200.02 o 1 15 1 611.44 600.69 201.65 o 3 15 1 579.57 638.04 99.38 o 5 15 1 651.08 668.90 160.50 o -2 16 1 990.14 1280.38 114.36 o 0 16 1 392.82 538.39 156.02 o 2 16 1 513.99 617.32 115.69 o -12 0 2 299.88 260.72 116.51 o -10 0 2 55.81 1.63 90.44 o -8 0 2 13.14 52.14 58.66 o -6 0 2 24852.01 26152.38 694.16 o -4 0 2 13737.77 14214.79 382.93 o -2 0 2 10149.04 10153.30 267.24 o 0 0 2 1028.63 1389.13 42.37 o 2 0 2 102.38 218.35 27.70 o 4 0 2 2049.28 2016.48 83.10 o 6 0 2 387.31 431.81 60.29 o 8 0 2 2799.67 2622.65 130.36 o 10 0 2 320.58 291.68 92.88 o -11 1 2 3.32 -18.41 57.94 o -9 1 2 17.89 24.98 47.73 o -7 1 2 261.50 209.49 41.48 o -5 1 2 43.62 51.09 47.25 o -3 1 2 2784.91 2754.61 63.94 o -1 1 2 1142.03 1179.03 37.89 o 1 1 2 4040.79 4072.80 107.48 o 3 1 2 1492.10 1601.20 46.05 o 5 1 2 4387.55 4754.77 111.39 o 7 1 2 2.41 -21.59 29.38 o 9 1 2 317.03 299.22 141.36 o 11 1 2 58.71 -57.04 263.16 o -12 2 2 283.24 200.70 106.73 o -10 2 2 244.36 275.49 62.41 o -8 2 2 47.47 -2.73 37.33 o -6 2 2 1399.70 1373.61 76.99 o -4 2 2 10.38 18.91 19.18 o -2 2 2 10.15 126.29 15.84 o 0 2 2 3469.97 3644.99 143.30 o 2 2 2 2452.35 2737.37 53.92 o 4 2 2 944.30 878.68 39.34 o 6 2 2 2531.76 2540.92 80.60 o 8 2 2 9.82 80.55 57.85 o 10 2 2 58.41 83.89 54.17 o -11 3 2 110.43 -33.52 54.96 o -9 3 2 725.09 684.17 68.55 o -7 3 2 368.58 384.03 54.59 o -5 3 2 147.34 201.71 32.60 o -3 3 2 2102.97 2272.53 58.18 o -1 3 2 5236.23 5273.44 105.10 o 1 3 2 26723.20 26931.81 343.47 o 3 3 2 2083.38 2360.69 88.43 o 5 3 2 1938.74 2186.53 187.39 o 7 3 2 1297.27 1383.07 66.76 o 9 3 2 1490.42 1555.91 83.07 o 11 3 2 103.24 158.06 75.47 o -12 4 2 537.21 522.24 87.79 o -10 4 2 2533.33 2626.24 103.70 o -8 4 2 2577.26 2765.00 117.32 o -6 4 2 56.46 22.48 54.59 o -4 4 2 31.84 53.71 25.66 o -2 4 2 10175.47 9730.07 184.93 o 0 4 2 13630.54 13768.49 363.73 o 2 4 2 30.04 29.07 15.41 o 4 4 2 255.23 310.37 26.46 o 6 4 2 832.72 720.31 45.17 o 8 4 2 772.69 779.98 85.96 o 10 4 2 38.50 -118.95 118.95 o -11 5 2 416.21 390.39 147.06 o -9 5 2 1131.17 1172.25 136.47 o -7 5 2 36.12 -26.24 46.85 o -5 5 2 197.20 180.89 37.18 o -3 5 2 11411.68 12212.78 235.06 o -1 5 2 67.30 73.07 11.84 o 1 5 2 128.27 145.95 18.78 o 3 5 2 4960.99 5582.96 99.42 o 5 5 2 63.10 70.50 28.33 o 7 5 2 219.77 220.80 42.47 o 9 5 2 232.32 196.76 55.45 o 11 5 2 0.37 155.62 109.18 o -10 6 2 447.45 624.10 86.25 o -8 6 2 1812.39 1818.22 198.39 o -6 6 2 3634.58 3585.70 101.15 o -4 6 2 3325.44 3186.08 83.40 o -2 6 2 60.40 112.53 32.62 o 0 6 2 3053.13 3110.02 51.99 o 2 6 2 13857.86 14382.84 193.39 o 4 6 2 19.10 41.40 25.18 o 6 6 2 1.73 51.96 62.56 o 8 6 2 323.50 282.72 92.07 o 10 6 2 351.90 193.09 107.55 o -11 7 2 0.28 29.33 114.06 o -9 7 2 18.67 -80.25 80.25 o -7 7 2 1.19 24.92 88.40 o -5 7 2 212.57 149.18 34.68 o -3 7 2 2776.80 2844.49 84.36 o -1 7 2 261.10 244.06 21.49 o 1 7 2 460.58 461.82 22.46 o 3 7 2 5112.99 5223.83 83.78 o 5 7 2 761.78 778.27 64.66 o 7 7 2 33.78 -45.05 45.05 o 9 7 2 118.41 -1.63 87.99 o -10 8 2 472.29 443.10 95.05 o -8 8 2 454.89 421.74 85.14 o -6 8 2 1741.33 1816.49 88.63 o -4 8 2 5758.70 6027.53 117.51 o -2 8 2 3050.08 2759.46 56.45 o 0 8 2 1099.30 1083.04 46.57 o 2 8 2 5293.40 5604.69 169.40 o 4 8 2 214.64 332.92 114.47 o 6 8 2 269.28 112.91 57.64 o 8 8 2 269.99 237.09 106.73 o 10 8 2 40.40 -69.25 113.25 o -9 9 2 13.74 143.70 83.29 o -7 9 2 110.40 206.72 69.49 o -5 9 2 601.24 542.73 57.58 o -3 9 2 143.38 188.69 48.28 o -1 9 2 319.93 366.52 59.15 o 1 9 2 6.65 -13.75 27.87 o 3 9 2 195.49 166.15 36.37 o 5 9 2 295.31 83.77 283.53 o 7 9 2 33.73 -27.80 130.36 o 9 9 2 4.60 -0.81 102.66 o -8 10 2 323.49 339.47 92.96 o -6 10 2 67.41 -33.88 51.88 o -4 10 2 2359.99 2307.91 103.06 o -2 10 2 3831.23 3750.94 87.95 o 0 10 2 162.73 117.08 36.87 o 2 10 2 114.80 62.91 57.76 o 4 10 2 262.06 398.95 62.06 o 6 10 2 296.47 358.84 228.13 o 8 10 2 239.57 310.26 134.02 o -9 11 2 55.99 -47.48 152.36 o -7 11 2 42.75 -45.20 69.95 o -5 11 2 5.71 -49.85 56.38 o -3 11 2 35.91 27.70 71.70 o -1 11 2 502.64 473.46 61.11 o 1 11 2 232.54 234.86 85.89 o 3 11 2 631.71 559.33 50.31 o 5 11 2 10.68 -72.92 72.92 o 7 11 2 44.47 56.48 65.96 o -8 12 2 165.18 256.84 114.88 o -6 12 2 28.48 373.15 128.73 o -4 12 2 34.21 91.25 88.81 o -2 12 2 22.97 26.34 52.60 o 0 12 2 14.64 -42.65 42.65 o 2 12 2 414.24 376.52 131.17 o 4 12 2 1251.92 1073.44 131.58 o 6 12 2 0.59 43.22 119.36 o -7 13 2 55.17 73.33 117.32 o -5 13 2 8.73 134.43 104.29 o -3 13 2 1.41 -33.40 87.99 o -1 13 2 282.42 404.58 83.92 o 1 13 2 59.12 221.57 142.99 o 3 13 2 308.81 387.38 104.29 o 5 13 2 292.29 318.56 117.32 o 7 13 2 12.94 106.95 120.17 o -6 14 2 723.36 826.96 161.32 o -4 14 2 261.19 404.93 129.54 o -2 14 2 68.80 168.35 154.39 o 0 14 2 171.72 199.12 68.22 o 2 14 2 0.62 119.82 71.23 o 4 14 2 172.66 232.20 139.32 o 6 14 2 83.99 -102.66 102.66 o -5 15 2 1.28 -105.10 113.25 o -3 15 2 18.47 -95.32 95.32 o -1 15 2 2.43 109.83 80.62 o 1 15 2 1.28 33.86 75.35 o 3 15 2 3.19 28.58 162.95 o -2 16 2 72.56 151.54 135.25 o 0 16 2 72.81 -70.99 70.99 o 2 16 2 219.05 10.02 78.73 o -11 1 3 668.84 577.94 80.02 o -9 1 3 984.73 916.10 70.49 o -7 1 3 2527.39 2595.16 107.95 o -5 1 3 3385.59 3798.65 93.28 o -3 1 3 11268.08 11129.28 212.01 o -1 1 3 33.18 116.84 11.13 o 1 1 3 23192.77 22704.04 334.63 o 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