#------------------------------------------------------------------------------ #$Date: 2016-04-03 01:31:49 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181062 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/42/2214240.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_2214240_Fobs loop_ _publ_author_name 'Zeng, Xi-Rui' 'Liu, Yin-Qiu' 'Lin, Huang' 'Xu, Ya-Ping' _publ_section_title ; (4,4'-Bipyridyl-\kN)tetrakis(nitrato-\k^2^N,N')[4-(4-pyridyl)pyridinium-\kN^1^]europium(III) ; _journal_coeditor_code HG2235 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1929 _journal_volume 63 _journal_year 2007 _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 118.834 _cell_angle_gamma 90.000 _cell_length_a 20.1364 _cell_length_b 7.8079 _cell_length_c 18.3096 _exptl_crystal_F_000 1408.00 _reflns_d_resolution_high 0.8333 _cod_data_source_file hg2235Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' zz in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 404.49 _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 81339.37 79202.57 557.02 o 4 0 0 4707.95 4585.05 50.55 o 16 0 0 12857.12 13163.42 181.38 o 18 0 0 7029.61 7324.58 148.67 o 1 1 0 15413.72 15419.76 1452.50 o 3 1 0 89953.25 89937.30 2647.75 o 5 1 0 58.74 80.88 5.68 o 7 1 0 4985.06 4966.97 143.05 o 9 1 0 5081.77 5104.45 129.34 o 11 1 0 13775.05 14193.23 155.61 o 13 1 0 5806.14 5850.74 111.01 o 15 1 0 2270.81 2361.90 80.28 o 17 1 0 833.47 838.51 62.44 o 19 1 0 1447.79 1496.63 83.26 o 0 2 0 4213.16 4526.98 350.33 o 2 2 0 21547.28 23085.23 1918.12 o 4 2 0 21567.38 22406.06 736.34 o 6 2 0 33761.47 35399.43 1018.44 o 8 2 0 19700.97 21397.78 416.29 o 10 2 0 6371.88 6501.69 86.70 o 12 2 0 460.39 446.46 26.52 o 14 2 0 1281.09 1326.43 43.44 o 16 2 0 1662.95 1762.71 53.21 o 18 2 0 1856.54 2029.87 92.18 o 1 3 0 40138.88 40357.36 2191.55 o 3 3 0 58022.64 57379.39 4496.80 o 5 3 0 62363.72 63375.48 2590.22 o 7 3 0 28229.05 28477.32 1016.55 o 9 3 0 7997.60 8431.23 207.00 o 11 3 0 25749.89 27208.62 571.05 o 13 3 0 16882.46 17149.50 470.34 o 15 3 0 4677.38 4511.70 117.95 o 17 3 0 7071.13 7037.15 154.62 o 19 3 0 2758.33 2830.72 111.01 o 0 4 0 25113.95 25990.97 2026.35 o 2 4 0 18862.57 19014.85 859.81 o 4 4 0 3177.96 2975.59 90.13 o 6 4 0 391.70 405.33 12.98 o 8 4 0 2886.99 2915.58 107.44 o 10 4 0 2205.26 2299.70 94.56 o 12 4 0 499.75 478.65 31.52 o 14 4 0 8541.83 8671.04 674.48 o 16 4 0 2729.46 2425.34 98.12 o 18 4 0 1472.85 1378.10 61.95 o 1 5 0 724.26 775.42 37.01 o 3 5 0 5860.22 6088.79 237.44 o 5 5 0 7048.13 7592.24 375.75 o 7 5 0 6458.53 6573.74 247.35 o 9 5 0 2723.17 2737.44 102.72 o 11 5 0 1722.93 1739.32 44.25 o 13 5 0 1494.57 1492.74 39.27 o 15 5 0 688.58 703.69 47.27 o 17 5 0 33.91 56.99 30.84 o 0 6 0 5966.09 6150.33 456.66 o 2 6 0 4549.61 4699.89 213.43 o 4 6 0 21339.30 21111.39 1274.81 o 6 6 0 15413.75 15168.35 727.46 o 8 6 0 8643.63 8375.60 394.84 o 10 6 0 8260.76 8076.19 279.20 o 12 6 0 4802.19 4735.98 141.06 o 14 6 0 2265.83 2331.78 60.90 o 16 6 0 2729.29 2638.91 84.02 o 1 7 0 2209.90 2217.79 140.77 o 3 7 0 3445.06 3430.11 207.01 o 5 7 0 1308.91 1479.95 70.24 o 7 7 0 4833.13 4774.40 233.47 o 9 7 0 1457.24 1492.57 63.80 o 11 7 0 1695.01 1739.80 58.32 o 13 7 0 1234.58 1227.69 42.66 o 0 8 0 455.82 449.98 52.53 o 2 8 0 800.62 646.16 43.00 o 4 8 0 11.16 15.74 18.33 o 6 8 0 393.98 402.19 35.76 o 8 8 0 898.64 853.67 50.36 o 10 8 0 427.74 461.11 31.73 o 1 9 0 2240.93 2174.04 118.44 o 3 9 0 1411.38 1304.77 62.36 o 5 9 0 3200.71 3214.57 183.45 o -19 1 1 3084.68 3071.56 109.03 o -17 1 1 7509.07 7781.50 149.66 o -15 1 1 8664.51 8866.80 147.68 o -13 1 1 8524.09 8623.97 133.80 o -11 1 1 18048.05 19404.68 183.36 o -9 1 1 36520.48 39262.61 936.63 o -7 1 1 32586.30 35347.89 601.42 o -5 1 1 35422.97 36967.56 788.95 o -3 1 1 102929.47 103282.73 5361.30 o -1 1 1 57845.92 55377.21 4833.85 o 1 1 1 25992.49 27530.56 1527.51 o 3 1 1 3054.78 3286.18 70.91 o 5 1 1 3041.06 3383.61 120.60 o 7 1 1 31741.57 31915.17 1146.76 o 9 1 1 37755.23 38786.03 1013.94 o 11 1 1 15961.47 16296.66 460.88 o 13 1 1 10432.81 10684.57 147.68 o 15 1 1 8940.32 9223.62 149.66 o 17 1 1 3774.86 3803.03 112.99 o 19 1 1 2351.44 2282.61 100.11 o -20 2 1 4410.23 4366.00 132.81 o -18 2 1 4575.57 4700.02 126.87 o -16 2 1 3593.63 3712.73 71.12 o -14 2 1 10082.63 10231.98 104.85 o -12 2 1 12920.72 12954.27 90.99 o -10 2 1 18382.67 19226.72 257.65 o -8 2 1 11057.18 11446.32 123.17 o -6 2 1 39085.73 39852.54 922.21 o -4 2 1 100410.30 96713.27 4540.86 o -2 2 1 71962.50 77255.00 3314.99 o 0 2 1 13175.25 13661.07 728.15 o 2 2 1 22528.45 21441.30 1002.37 o 4 2 1 47050.65 47493.16 1656.84 o 6 2 1 24722.27 25765.63 803.42 o 8 2 1 24436.73 25011.82 678.62 o 10 2 1 25625.13 26929.64 645.63 o 12 2 1 13971.95 14515.62 120.92 o 14 2 1 2852.64 2947.82 87.72 o 16 2 1 3441.29 3441.91 90.19 o -19 3 1 28.92 36.34 28.33 o -17 3 1 25.96 42.62 34.69 o -15 3 1 11.89 27.75 28.74 o -13 3 1 71.99 95.36 15.59 o -11 3 1 26.98 132.15 41.87 o -9 3 1 1361.23 1582.59 47.07 o -7 3 1 287.83 415.23 24.29 o -5 3 1 1765.30 1968.93 66.16 o -3 3 1 19249.32 20464.61 931.87 o -1 3 1 16162.19 16289.13 743.12 o 1 3 1 2900.30 3444.51 273.53 o 3 3 1 2123.03 1946.94 97.10 o 5 3 1 2098.87 2169.54 72.15 o 7 3 1 49.28 78.16 7.98 o 9 3 1 3471.83 3575.38 100.71 o 11 3 1 2288.91 2316.81 92.16 o 13 3 1 75.15 85.39 17.15 o 15 3 1 48.86 65.42 32.71 o 17 3 1 5.48 9.91 34.69 o -18 4 1 1460.58 1488.36 62.70 o -16 4 1 7433.01 7301.12 351.43 o -14 4 1 11774.61 11798.31 409.29 o -12 4 1 2707.09 2868.41 55.79 o -10 4 1 7837.13 8011.29 224.75 o -8 4 1 18667.23 19193.54 636.21 o -6 4 1 14119.17 14603.87 698.69 o -4 4 1 5278.94 5088.52 198.36 o -2 4 1 28602.86 31201.18 1463.20 o 0 4 1 21681.08 22576.89 812.88 o 2 4 1 35575.65 36916.47 1757.47 o 4 4 1 35199.04 37337.36 1821.62 o 6 4 1 5373.99 5113.59 194.69 o 8 4 1 7826.51 8178.50 336.19 o 10 4 1 5589.80 5665.08 330.64 o 12 4 1 3884.07 4124.34 282.97 o 14 4 1 6550.53 6276.94 140.74 o 16 4 1 6551.48 6240.26 149.66 o 18 4 1 1151.98 1157.66 84.25 o -17 5 1 2339.11 2101.60 73.22 o -15 5 1 741.31 735.93 32.63 o -13 5 1 5763.56 5823.22 191.13 o -11 5 1 7507.72 7433.97 268.09 o -9 5 1 9236.78 9059.14 325.19 o -7 5 1 26041.53 25101.92 1140.33 o -5 5 1 22926.86 23174.25 1220.44 o -3 5 1 16896.40 17900.72 753.98 o -1 5 1 5783.11 5486.01 260.04 o 1 5 1 18945.75 19684.22 910.29 o 3 5 1 19710.86 20029.61 831.91 o 5 5 1 24677.59 25471.77 1218.74 o 7 5 1 12422.73 12277.59 803.93 o 9 5 1 7889.71 7908.17 305.06 o 11 5 1 6126.22 5935.96 235.96 o 13 5 1 7455.72 6998.49 154.62 o 15 5 1 4394.34 4437.37 132.81 o 17 5 1 1465.80 1398.51 89.20 o -16 6 1 269.46 248.38 29.93 o -14 6 1 1.99 17.13 18.49 o -12 6 1 466.40 460.11 26.83 o -10 6 1 743.84 752.05 37.70 o -8 6 1 89.00 96.65 15.68 o -6 6 1 151.64 179.96 16.85 o -4 6 1 819.60 811.85 33.93 o -2 6 1 479.65 480.60 22.88 o 0 6 1 864.60 948.48 43.22 o 2 6 1 198.60 250.78 18.77 o 4 6 1 128.99 142.96 24.82 o 6 6 1 388.05 389.02 22.74 o 8 6 1 6.18 19.77 14.15 o 10 6 1 57.98 89.20 18.18 o 12 6 1 331.41 353.70 25.62 o 14 6 1 14.71 0.67 27.23 o -13 7 1 2508.81 2684.06 63.51 o -11 7 1 2742.40 2692.18 95.77 o -9 7 1 5239.73 5192.33 247.49 o -7 7 1 1133.17 1143.37 88.27 o -5 7 1 2822.66 3016.97 167.09 o -3 7 1 8097.53 7940.26 528.32 o -1 7 1 5442.81 5260.08 412.44 o 1 7 1 5008.15 5030.83 321.63 o 3 7 1 9240.53 9256.03 615.16 o 5 7 1 7680.86 7575.35 443.49 o 7 7 1 2298.95 2367.03 85.74 o 9 7 1 2356.97 2373.52 96.14 o 11 7 1 3360.84 3567.60 131.03 o 13 7 1 1228.41 1194.70 62.70 o -10 8 1 2292.34 2590.78 121.00 o -8 8 1 3457.80 3606.65 183.69 o -6 8 1 4202.68 4089.01 225.32 o -4 8 1 1411.70 1363.42 89.38 o -2 8 1 4558.99 4128.91 90.40 o 0 8 1 13516.17 12061.01 149.63 o 2 8 1 8256.98 7437.84 119.12 o 4 8 1 2420.35 2410.16 144.30 o 6 8 1 4422.47 4481.88 190.84 o 8 8 1 5587.45 5729.42 261.80 o 10 8 1 1296.43 1339.90 46.07 o -5 9 1 548.65 614.84 40.78 o -3 9 1 13.94 2.97 26.63 o -1 9 1 13.76 30.23 28.73 o 1 9 1 102.23 158.80 32.24 o 3 9 1 179.99 155.12 33.94 o 5 9 1 111.99 104.81 28.35 o -20 0 2 904.81 1026.83 72.35 o -18 0 2 7220.73 7339.44 149.66 o -8 0 2 19634.68 18975.51 141.73 o -6 0 2 58087.51 62759.44 427.18 o -4 0 2 42898.39 50137.18 380.60 o -2 0 2 86001.05 87099.58 5889.89 o 0 0 2 77753.35 76302.38 1554.12 o 2 0 2 135922.95 117881.09 715.61 o 4 0 2 1998.38 2026.90 42.62 o 6 0 2 72463.01 67186.89 509.45 o 8 0 2 63308.43 61080.43 299.33 o 10 0 2 25744.17 25989.25 1043.68 o 12 0 2 3529.38 3562.18 81.27 o 14 0 2 8273.66 9026.38 138.76 o 20 0 2 1795.31 1915.89 104.07 o -21 1 2 1746.73 1828.67 97.13 o -19 1 2 598.92 584.29 53.03 o -17 1 2 256.54 239.86 39.65 o -15 1 2 4816.85 4959.70 112.00 o -13 1 2 5970.56 6269.01 114.97 o -11 1 2 1257.84 1221.60 35.02 o -9 1 2 16525.85 17468.45 561.98 o -7 1 2 6871.83 6834.38 118.58 o -5 1 2 59610.68 60877.57 1709.71 o -3 1 2 6624.74 7318.60 119.43 o -1 1 2 20293.51 19553.23 637.32 o 1 1 2 109.18 236.73 24.47 o 3 1 2 2884.61 2988.81 70.22 o 5 1 2 23269.10 24585.13 692.19 o 7 1 2 16325.92 16581.96 288.96 o 9 1 2 4723.68 4590.67 121.32 o 11 1 2 1167.89 1181.65 40.60 o 13 1 2 4994.30 5233.51 124.39 o 15 1 2 491.71 481.51 35.02 o 17 1 2 2472.58 2600.77 100.11 o 19 1 2 1492.39 1575.92 91.19 o -20 2 2 661.50 691.33 78.80 o -18 2 2 571.38 550.60 40.29 o -16 2 2 1079.78 1155.68 65.42 o -14 2 2 1027.90 1090.21 41.00 o -12 2 2 284.87 307.40 19.64 o -10 2 2 10417.55 11223.43 456.42 o -8 2 2 17203.71 18237.56 317.82 o -6 2 2 142.22 278.73 41.79 o -4 2 2 6813.01 6267.56 204.86 o -2 2 2 223.03 391.84 24.12 o 0 2 2 18984.74 19014.72 1064.04 o 2 2 2 45144.39 43591.82 2331.85 o 4 2 2 7880.37 7771.61 200.41 o 6 2 2 6018.12 6196.90 219.74 o 8 2 2 8876.59 9209.35 266.52 o 10 2 2 705.18 712.99 33.96 o 12 2 2 4725.64 4815.19 72.51 o 14 2 2 689.87 742.50 81.77 o 16 2 2 617.70 680.92 58.48 o -21 3 2 1781.43 1728.11 71.45 o -19 3 2 5131.01 4849.50 218.05 o -17 3 2 5288.90 5167.11 94.61 o -15 3 2 4363.01 4471.05 138.77 o -13 3 2 6480.36 6543.86 183.69 o -11 3 2 24458.97 25093.81 494.39 o -9 3 2 11201.83 11510.46 297.97 o -7 3 2 27387.89 28526.34 1026.15 o -5 3 2 53787.84 55006.77 1926.24 o -3 3 2 26925.19 28206.93 1293.19 o -1 3 2 59351.16 61433.99 4217.66 o 1 3 2 16844.04 16403.80 957.22 o 3 3 2 17442.71 16150.68 708.47 o 5 3 2 43246.00 44187.28 1663.64 o 7 3 2 7625.88 7643.29 263.29 o 9 3 2 13577.01 13496.99 624.74 o 11 3 2 12084.40 12472.63 486.15 o 13 3 2 14122.13 14364.10 899.96 o 15 3 2 7397.63 7280.97 147.68 o -20 4 2 1021.09 987.32 58.86 o -18 4 2 1878.24 1866.36 67.27 o -16 4 2 2483.73 2402.33 68.67 o -14 4 2 6003.75 5793.65 158.80 o -12 4 2 5712.52 5642.62 180.11 o -10 4 2 3041.44 3105.58 110.87 o -8 4 2 10457.99 10271.12 294.09 o -6 4 2 5996.33 5950.54 323.58 o -4 4 2 16923.53 18431.90 708.39 o -2 4 2 3963.38 3748.95 138.89 o 0 4 2 4460.88 4464.20 271.27 o 2 4 2 16123.48 17043.43 935.08 o 4 4 2 2945.02 2942.31 121.36 o 6 4 2 5655.87 5576.77 232.68 o 8 4 2 5222.18 5369.56 222.60 o 10 4 2 1657.60 1645.88 77.46 o 12 4 2 4005.37 3582.01 103.08 o 14 4 2 933.25 851.40 62.44 o 16 4 2 2326.83 2244.95 99.11 o -17 5 2 943.94 1022.63 38.88 o -15 5 2 15.22 18.92 16.33 o -13 5 2 1254.93 1223.58 41.49 o -11 5 2 1686.26 1666.94 37.35 o -9 5 2 1142.22 1276.09 45.21 o -7 5 2 176.50 226.39 19.57 o -5 5 2 3793.80 3960.98 206.58 o -3 5 2 3936.14 4243.34 168.14 o -1 5 2 1410.83 1389.45 62.43 o 1 5 2 4527.47 4399.41 187.39 o 3 5 2 1762.74 1813.64 98.04 o 5 5 2 1737.78 1790.51 91.70 o 7 5 2 2435.12 2462.74 141.74 o 9 5 2 142.22 170.50 19.57 o 11 5 2 1793.21 1782.31 137.27 o 13 5 2 1912.12 1761.27 85.24 o 15 5 2 15.83 49.56 38.65 o -16 6 2 3040.20 3080.29 122.46 o -14 6 2 3810.33 3860.70 131.76 o -12 6 2 11478.04 11386.72 290.70 o -10 6 2 6993.07 6798.82 336.19 o -8 6 2 9819.52 9478.19 378.97 o -6 6 2 15132.22 15093.01 699.13 o -4 6 2 4919.13 4920.88 279.82 o -2 6 2 7457.77 7314.66 368.61 o 0 6 2 7896.59 7914.38 365.68 o 2 6 2 17093.73 17938.62 789.24 o 4 6 2 15211.15 15586.37 878.96 o 6 6 2 7685.79 7714.47 381.40 o 8 6 2 2506.33 2440.43 118.39 o 10 6 2 8403.98 8423.06 256.91 o 12 6 2 4113.66 3889.26 124.88 o 14 6 2 1251.83 1142.57 59.46 o -15 7 2 1445.31 1399.78 46.09 o -13 7 2 396.14 374.01 28.26 o -11 7 2 1823.73 1780.82 66.59 o -9 7 2 8384.82 8528.66 337.19 o -7 7 2 1308.89 1301.80 63.66 o -5 7 2 4741.13 4665.26 245.35 o -3 7 2 5970.29 6246.69 361.37 o -1 7 2 6398.67 6340.01 398.56 o 1 7 2 3545.62 3496.70 210.00 o 3 7 2 1815.47 1805.69 111.87 o 5 7 2 682.17 699.94 29.47 o 7 7 2 1856.65 2004.92 48.16 o 9 7 2 3083.35 3035.63 75.75 o 11 7 2 917.55 919.47 100.11 o -10 8 2 372.13 352.87 29.13 o -8 8 2 15.27 35.47 19.13 o -6 8 2 390.82 386.64 26.69 o -4 8 2 845.54 889.44 49.82 o -2 8 2 174.13 153.93 41.63 o 0 8 2 989.91 829.94 53.03 o 2 8 2 56.10 119.62 28.25 o 4 8 2 4.41 10.78 19.86 o 6 8 2 52.04 74.04 21.47 o 8 8 2 977.80 924.73 38.91 o -5 9 2 2095.35 2195.13 146.18 o -3 9 2 3989.09 3629.58 94.26 o -1 9 2 3288.66 3136.74 87.95 o 1 9 2 2161.89 2008.19 73.24 o 3 9 2 1925.43 1770.60 69.37 o -21 1 3 1523.58 1511.50 87.22 o -19 1 3 6357.10 6083.35 197.24 o -17 1 3 5443.54 5086.19 216.07 o -15 1 3 7920.61 7755.38 248.28 o -13 1 3 1808.20 1731.20 48.83 o -11 1 3 12506.77 12443.12 311.58 o -9 1 3 50505.12 52726.51 667.38 o -7 1 3 35072.25 37146.51 626.38 o -5 1 3 11590.01 13012.02 298.71 o -3 1 3 57998.11 58691.88 669.63 o -1 1 3 58495.82 56191.50 838.25 o 1 1 3 2042.24 2119.49 48.23 o 3 1 3 8025.19 7861.12 212.73 o 5 1 3 14748.17 13590.52 159.25 o 7 1 3 12889.28 12620.64 227.50 o 9 1 3 12014.36 11528.41 182.22 o 11 1 3 4160.25 4103.87 99.40 o 13 1 3 3630.65 3637.96 88.90 o 15 1 3 4563.34 4623.70 122.90 o 17 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