#------------------------------------------------------------------------------ #$Date: 2016-04-02 22:22:23 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180856 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/87/2018778.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_2018778_Fobs loop_ _publ_author_name 'Altaf, Muhammad' 'Stoeckli-Evans, Helen' _publ_section_title ; Chiral one- and two-dimensional silver(I)--biotin coordination polymers ; _journal_coeditor_code EG3103 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 127 _journal_page_last 137 _journal_volume 69 _journal_year 2013 _space_group_IT_number 4 _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _cell_angle_alpha 90.000 _cell_angle_beta 91.167 _cell_angle_gamma 90.000 _cell_length_a 9.6902 _cell_length_b 14.6452 _cell_length_c 9.8604 _exptl_crystal_F_000 824.00 _reflns_d_resolution_high 0.7886 _cod_data_source_file eg3103Vsup6.hkl _cod_data_source_block V #BEGIN Tags that were not found in dictionaries: _shelx_title ' A6BIO-2' _shelx_refln_list_code 4 _shelx_f_calc_maximum 217.55 _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' 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 0 -18 0 1421.38 1276.11 47.79 o 1 -18 0 62.47 65.48 33.30 o 2 -18 0 652.46 596.98 35.04 o 1 -17 0 577.43 581.53 32.88 o 2 -17 0 374.62 346.97 28.02 o 3 -17 0 923.53 857.03 40.04 o 4 -17 0 381.60 398.39 34.12 o 0 -16 0 240.14 220.27 50.60 o 1 -16 0 54.18 54.66 25.40 o 2 -16 0 382.59 401.11 27.07 o 3 -16 0 496.19 552.48 34.24 o 4 -16 0 459.24 450.58 31.38 o 5 -16 0 888.68 867.70 45.80 o 6 -16 0 49.21 87.83 39.96 o 1 -15 0 1208.92 1356.64 37.29 o 2 -15 0 216.88 242.36 27.66 o 3 -15 0 1016.38 1022.51 32.28 o 4 -15 0 303.15 321.09 31.45 o 5 -15 0 783.65 825.87 39.02 o 6 -15 0 331.96 317.03 35.12 o 7 -15 0 370.18 350.40 39.31 o 0 -14 0 906.44 840.99 48.94 o 1 -14 0 209.35 211.97 25.81 o 2 -14 0 462.94 441.15 32.69 o 3 -14 0 534.12 540.72 28.36 o 4 -14 0 477.26 499.82 35.01 o 5 -14 0 1422.90 1428.81 34.21 o 6 -14 0 345.15 358.57 43.90 o 7 -14 0 1037.19 920.06 39.31 o 8 -14 0 403.54 345.61 40.32 o 1 -13 0 9020.22 10306.36 157.22 o 2 -13 0 277.55 308.22 22.04 o 3 -13 0 2262.07 2378.57 32.52 o 4 -13 0 92.03 110.27 25.29 o 5 -13 0 886.83 993.54 69.86 o 6 -13 0 440.98 415.20 31.53 o 7 -13 0 29.98 32.15 33.71 o 8 -13 0 63.42 49.38 37.24 o 0 -12 0 211.22 248.95 30.44 o 1 -12 0 325.32 320.61 24.89 o 2 -12 0 117.84 144.42 20.90 o 3 -12 0 888.33 948.53 32.10 o 4 -12 0 168.43 177.00 23.90 o 5 -12 0 3445.36 3393.12 40.21 o 6 -12 0 321.76 307.73 29.25 o 7 -12 0 891.21 909.51 47.68 o 8 -12 0 720.01 721.22 51.51 o 9 -12 0 512.91 553.81 55.89 o 1 -11 0 7559.83 8018.06 117.38 o 2 -11 0 688.57 753.10 31.75 o 3 -11 0 4547.93 4776.20 153.08 o 4 -11 0 236.26 271.89 29.64 o 5 -11 0 1692.90 1574.55 37.26 o 6 -11 0 843.56 903.18 38.97 o 7 -11 0 260.35 222.85 43.74 o 8 -11 0 171.38 203.64 46.31 o 9 -11 0 86.48 114.09 50.64 o 0 -10 0 1316.80 1335.82 46.53 o 1 -10 0 5.12 4.15 25.87 o 2 -10 0 622.58 686.99 23.28 o 3 -10 0 1180.31 1234.91 27.58 o 4 -10 0 133.05 149.54 22.53 o 5 -10 0 3093.57 3068.21 42.54 o 6 -10 0 220.70 221.34 24.42 o 7 -10 0 4740.56 4789.10 58.22 o 8 -10 0 314.48 273.65 45.81 o 9 -10 0 3055.73 3335.81 60.36 o 10 -10 0 368.70 274.61 55.23 o 1 -9 0 5545.67 5526.01 75.83 o 2 -9 0 33.23 37.68 20.55 o 3 -9 0 9740.71 9644.87 365.93 o 4 -9 0 1574.28 1643.22 30.20 o 5 -9 0 3507.61 3473.11 84.00 o 6 -9 0 3675.64 3915.55 46.12 o 7 -9 0 1317.68 1255.65 44.31 o 8 -9 0 579.28 491.84 44.70 o 9 -9 0 61.70 63.85 34.67 o 10 -9 0 283.36 275.81 39.41 o 0 -8 0 7489.60 8562.03 79.89 o 1 -8 0 143.79 137.56 27.87 o 2 -8 0 1292.53 1227.85 35.24 o 3 -8 0 3464.75 3639.35 42.00 o 4 -8 0 120.27 112.83 21.53 o 5 -8 0 935.78 927.43 27.98 o 6 -8 0 292.51 307.71 28.26 o 7 -8 0 3917.69 3835.13 73.12 o 8 -8 0 423.02 435.75 28.89 o 9 -8 0 2368.05 2406.02 44.62 o 10 -8 0 1020.38 1100.66 52.72 o 11 -8 0 747.87 697.08 42.99 o 1 -7 0 12508.87 12783.61 356.19 o 2 -7 0 204.35 199.92 25.96 o 3 -7 0 7293.47 7250.55 56.49 o 4 -7 0 1109.62 1109.44 27.40 o 5 -7 0 2468.64 2361.97 39.67 o 6 -7 0 3700.63 3653.31 36.55 o 7 -7 0 755.46 799.17 25.87 o 8 -7 0 542.92 613.40 31.28 o 9 -7 0 345.13 421.93 27.19 o 10 -7 0 283.76 278.68 30.15 o 11 -7 0 274.48 266.15 42.63 o 0 -6 0 29684.05 31150.11 185.90 o 1 -6 0 1088.98 1084.75 26.27 o 2 -6 0 6101.30 5749.20 99.55 o 3 -6 0 2880.29 2813.19 86.57 o 4 -6 0 8774.32 8396.05 61.33 o 5 -6 0 2954.38 2872.72 33.60 o 6 -6 0 4801.04 4929.16 44.40 o 7 -6 0 2004.98 2006.86 46.66 o 8 -6 0 715.55 759.87 25.02 o 9 -6 0 641.83 664.43 30.20 o 10 -6 0 332.45 343.96 27.24 o 11 -6 0 743.81 731.27 45.02 o 1 -5 0 7199.58 7734.04 177.04 o 2 -5 0 920.80 1079.93 32.90 o 3 -5 0 2038.54 2054.91 34.57 o 4 -5 0 2246.81 2198.05 35.37 o 5 -5 0 1031.60 1086.58 27.64 o 6 -5 0 1951.56 1837.26 27.98 o 7 -5 0 651.00 719.30 26.57 o 8 -5 0 3153.30 3046.69 76.09 o 9 -5 0 1475.22 1417.51 38.58 o 10 -5 0 1646.86 1594.43 86.56 o 11 -5 0 672.81 651.21 36.84 o 0 -4 0 694.35 823.05 40.34 o 1 -4 0 801.07 750.77 27.74 o 2 -4 0 10492.20 10178.25 75.92 o 3 -4 0 4751.17 4740.62 95.08 o 4 -4 0 12164.39 11450.34 170.74 o 5 -4 0 4874.36 5122.95 121.67 o 6 -4 0 4352.31 4366.50 74.30 o 7 -4 0 3543.16 3489.04 34.92 o 8 -4 0 372.57 393.04 25.26 o 9 -4 0 973.44 985.44 36.48 o 10 -4 0 131.94 140.21 22.48 o 11 -4 0 580.01 525.48 41.59 o 1 -3 0 28277.50 29727.64 609.39 o 2 -3 0 2314.02 2261.09 42.75 o 3 -3 0 3817.08 3804.84 101.44 o 4 -3 0 6075.02 6087.65 116.58 o 5 -3 0 1944.97 1957.20 35.99 o 6 -3 0 9547.72 9542.47 225.09 o 7 -3 0 1157.96 1246.51 31.82 o 8 -3 0 7634.78 7448.62 203.85 o 9 -3 0 348.75 324.17 31.02 o 10 -3 0 2861.81 2874.68 73.42 o 11 -3 0 773.52 779.12 42.08 o 12 -3 0 668.40 631.74 45.24 o 0 -2 0 42892.65 48890.77 364.55 o 1 -2 0 802.96 791.74 37.66 o 2 -2 0 9799.08 9762.42 87.95 o 3 -2 0 9581.72 9690.99 74.54 o 4 -2 0 3770.94 3638.94 86.53 o 5 -2 0 549.18 578.86 22.05 o 6 -2 0 5137.25 5195.13 91.32 o 7 -2 0 899.74 878.41 32.01 o 8 -2 0 811.46 775.08 43.95 o 9 -2 0 772.48 815.00 27.80 o 10 -2 0 545.10 590.52 49.94 o 11 -2 0 124.73 118.02 37.54 o 12 -2 0 476.89 499.73 45.46 o 1 -1 0 660.07 709.88 46.58 o 2 -1 0 1667.33 1688.08 41.74 o 3 -1 0 5152.23 5113.37 127.37 o 4 -1 0 3930.46 3855.43 45.97 o 5 -1 0 2743.06 2806.83 50.73 o 6 -1 0 10495.15 10853.70 426.13 o 7 -1 0 1537.50 1522.37 27.07 o 8 -1 0 1673.75 1634.02 95.41 o 9 -1 0 757.33 730.17 35.94 o 10 -1 0 2749.91 2842.55 61.97 o 11 -1 0 534.82 543.29 40.12 o 12 -1 0 1446.46 1636.68 64.98 o 1 0 0 77.99 90.11 25.73 o 2 0 0 22018.02 22189.29 479.50 o 3 0 0 2668.57 2400.75 38.75 o 4 0 0 3286.72 3036.40 44.58 o 5 0 0 314.81 384.56 19.92 o 6 0 0 2766.47 3054.18 34.73 o 7 0 0 264.84 295.94 19.88 o 8 0 0 101.91 100.94 28.37 o 9 0 0 0.58 4.94 41.47 o 10 0 0 47.17 83.85 45.40 o 11 0 0 224.89 238.16 36.79 o 12 0 0 114.30 125.07 55.99 o 1 1 0 663.70 709.18 48.19 o 2 1 0 1650.61 1664.69 59.57 o 3 1 0 4896.29 4990.89 70.16 o 4 1 0 4056.01 4012.81 62.58 o 5 1 0 2731.91 2889.27 47.68 o 6 1 0 10274.87 10595.21 91.99 o 7 1 0 1426.27 1409.34 36.40 o 8 1 0 1658.77 1643.90 39.02 o 9 1 0 819.83 822.98 35.38 o 10 1 0 2726.44 2801.63 49.57 o 11 1 0 581.94 573.08 39.01 o 12 1 0 1450.89 1554.92 64.22 o 0 2 0 43067.12 46479.54 356.09 o 1 2 0 787.60 778.35 37.97 o 2 2 0 9557.74 9444.66 104.43 o 3 2 0 9502.44 9567.66 91.13 o 4 2 0 4115.73 3966.48 54.95 o 5 2 0 532.43 518.81 27.77 o 6 2 0 5459.76 5540.30 60.35 o 7 2 0 809.84 828.36 41.38 o 8 2 0 805.13 735.19 32.11 o 9 2 0 740.39 761.57 45.21 o 10 2 0 542.08 559.93 48.58 o 11 2 0 128.10 136.46 51.20 o 12 2 0 491.55 569.33 58.76 o 1 3 0 29027.49 28597.66 448.72 o 2 3 0 2322.50 2164.56 44.41 o 3 3 0 3472.94 3335.60 57.83 o 4 3 0 5905.54 5799.90 62.28 o 5 3 0 2022.09 2020.46 45.14 o 6 3 0 9543.35 9614.65 82.49 o 7 3 0 1163.55 1259.52 43.00 o 8 3 0 7746.28 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6 0 4682.96 4536.45 49.82 o 7 6 0 2112.69 2136.67 37.77 o 8 6 0 667.70 709.29 33.06 o 9 6 0 631.75 746.77 34.93 o 10 6 0 323.01 351.26 49.14 o 11 6 0 753.84 718.05 42.29 o 1 7 0 11996.23 12069.22 84.76 o 2 7 0 174.03 151.03 21.26 o 3 7 0 7031.24 6749.88 356.15 o 4 7 0 1140.66 1114.19 33.04 o 5 7 0 2518.51 2359.03 39.59 o 6 7 0 3615.29 3532.95 44.40 o 7 7 0 742.43 769.60 42.99 o 8 7 0 513.21 533.37 31.35 o 9 7 0 368.74 402.01 33.06 o 10 7 0 304.92 347.68 50.75 o 11 7 0 297.18 288.01 56.85 o 0 8 0 7836.97 9270.00 87.08 o 1 8 0 129.75 118.23 20.56 o 2 8 0 1235.80 1163.51 27.64 o 3 8 0 3317.06 3235.68 51.62 o 4 8 0 107.48 77.64 22.01 o 5 8 0 991.79 946.21 40.48 o 6 8 0 348.48 367.85 38.70 o 7 8 0 3743.16 3669.47 45.80 o 8 8 0 408.74 395.26 44.50 o 9 8 0 2330.49 2400.41 45.08 o 10 8 0 1068.64 1136.35 40.93 o 11 8 0 783.16 740.58 59.27 o 1 9 0 5931.21 5957.23 49.13 o 2 9 0 41.42 46.67 25.59 o 3 9 0 9594.07 9597.14 309.42 o 4 9 0 1571.19 1498.01 80.92 o 5 9 0 3590.67 3475.52 43.94 o 6 9 0 3701.51 3788.87 46.06 o 7 9 0 1238.78 1212.27 34.78 o 8 9 0 641.13 501.78 45.86 o 9 9 0 55.35 72.62 33.31 o 10 9 0 320.62 227.43 38.90 o 0 10 0 1252.90 1272.72 46.48 o 1 10 0 3.96 7.97 18.83 o 2 10 0 586.07 592.35 27.77 o 3 10 0 1190.49 1154.67 27.60 o 4 10 0 172.72 222.24 23.67 o 5 10 0 3152.22 3213.11 49.83 o 6 10 0 280.24 284.48 28.78 o 7 10 0 4760.37 4839.88 58.53 o 8 10 0 323.03 360.73 47.02 o 9 10 0 2981.49 2939.90 60.11 o 10 10 0 366.77 343.09 39.06 o 1 11 0 7465.60 7748.76 152.16 o 2 11 0 705.98 734.15 30.81 o 3 11 0 4444.64 4446.16 41.47 o 4 11 0 230.52 229.81 30.39 o 5 11 0 1635.34 1468.71 35.14 o 6 11 0 873.53 904.33 44.25 o 7 11 0 246.15 200.07 43.94 o 8 11 0 178.87 181.97 34.57 o 9 11 0 89.85 103.05 50.44 o 0 12 0 213.17 215.19 42.23 o 1 12 0 291.42 263.90 21.96 o 2 12 0 122.52 129.91 23.83 o 3 12 0 1000.92 969.78 41.56 o 4 12 0 197.38 203.73 24.66 o 5 12 0 3478.74 3357.41 182.89 o 6 12 0 324.23 339.21 31.60 o 7 12 0 972.43 952.32 36.14 o 8 12 0 702.85 708.47 36.84 o 9 12 0 532.15 557.55 55.29 o 1 13 0 9031.86 9575.31 126.68 o 2 13 0 258.29 273.98 26.23 o 3 13 0 2367.62 2405.63 63.48 o 4 13 0 80.28 64.28 31.98 o 5 13 0 844.69 783.39 29.94 o 6 13 0 475.37 394.46 33.51 o 7 13 0 43.23 7.41 34.97 o 8 13 0 53.08 -19.45 50.95 o 0 14 0 908.32 877.88 37.15 o 1 14 0 185.67 225.18 32.55 o 2 14 0 397.93 377.02 40.32 o 3 14 0 523.54 541.05 34.17 o 4 14 0 460.40 436.77 28.58 o 5 14 0 1355.01 1252.22 137.64 o 6 14 0 348.06 289.93 49.69 o 7 14 0 975.63 924.78 54.54 o 1 15 0 1190.73 1244.32 32.76 o 2 15 0 204.27 182.07 34.05 o 3 15 0 1086.40 1034.79 50.61 o 4 15 0 280.45 266.17 36.78 o 5 15 0 829.90 805.74 80.49 o 6 15 0 313.79 243.66 36.99 o 7 15 0 390.21 450.08 39.71 o 0 16 0 280.62 291.89 51.86 o 1 16 0 51.97 76.85 35.70 o 2 16 0 412.43 429.31 30.30 o 3 16 0 500.11 499.83 62.67 o 4 16 0 446.21 429.93 31.30 o 5 16 0 866.16 859.03 99.62 o 6 16 0 37.38 65.86 54.32 o 1 17 0 602.46 612.72 34.45 o 2 17 0 375.09 396.67 39.02 o 3 17 0 910.52 868.58 41.84 o 4 17 0 393.10 367.86 41.26 o 0 18 0 1284.24 1263.27 63.81 o 1 18 0 62.26 53.97 34.38 o 2 18 0 618.63 528.76 100.47 o -2 -18 1 674.59 693.14 43.23 o -1 -18 1 161.57 184.92 40.47 o 0 -18 1 709.37 744.62 35.30 o 1 -18 1 603.69 566.31 41.02 o 2 -18 1 145.11 174.17 33.91 o -4 -17 1 240.27 269.84 40.39 o -3 -17 1 611.58 567.21 41.25 o -2 -17 1 159.56 147.04 27.05 o -1 -17 1 334.88 343.19 28.04 o 0 -17 1 294.16 289.49 69.87 o 1 -17 1 384.69 347.53 38.36 o 2 -17 1 474.37 468.99 32.24 o 3 -17 1 59.89 86.80 38.62 o 4 -17 1 584.86 587.68 41.48 o -6 -16 1 1327.63 1289.79 45.21 o -5 -16 1 219.10 190.19 37.34 o -4 -16 1 1367.24 1417.75 52.07 o -3 -16 1 50.56 68.61 28.93 o -2 -16 1 747.22 783.94 31.89 o -1 -16 1 54.09 75.26 34.67 o 0 -16 1 426.39 512.29 44.32 o 1 -16 1 102.99 106.91 28.97 o 2 -16 1 200.10 225.70 30.30 o 3 -16 1 413.88 402.66 30.72 o 4 -16 1 202.23 224.97 35.33 o 5 -16 1 932.07 810.30 34.70 o 6 -16 1 73.64 86.76 33.82 o -7 -15 1 502.09 410.68 41.17 o -6 -15 1 212.46 198.80 38.10 o -5 -15 1 685.27 631.76 36.64 o -4 -15 1 464.04 489.73 36.46 o -3 -15 1 672.77 681.93 29.79 o -2 -15 1 89.16 157.52 33.06 o -1 -15 1 673.91 702.30 29.34 o 0 -15 1 444.62 458.88 28.34 o 1 -15 1 347.26 395.24 30.94 o 2 -15 1 1619.11 1680.25 33.60 o 3 -15 1 308.14 308.26 25.70 o 4 -15 1 1339.58 1421.69 33.65 o 5 -15 1 285.20 298.51 31.23 o 6 -15 1 1360.36 1403.47 44.40 o 7 -15 1 364.03 373.32 36.98 o -8 -14 1 418.09 317.44 40.22 o -7 -14 1 106.14 83.15 37.29 o -6 -14 1 981.48 923.18 38.10 o -5 -14 1 480.62 495.51 48.08 o -4 -14 1 2462.76 2540.74 43.00 o -3 -14 1 206.37 230.65 27.79 o -2 -14 1 3240.74 3350.77 118.17 o -1 -14 1 494.07 461.27 35.08 o 0 -14 1 1984.78 2255.24 38.79 o 1 -14 1 596.85 679.65 33.39 o 2 -14 1 2181.64 2498.99 39.89 o 3 -14 1 328.29 306.78 32.61 o 4 -14 1 621.43 695.81 51.84 o 5 -14 1 105.77 99.31 34.40 o 6 -14 1 7.96 -14.29 30.66 o 7 -14 1 32.20 18.33 41.56 o -8 -13 1 711.91 644.86 52.26 o -7 -13 1 229.73 231.86 34.72 o -6 -13 1 399.17 361.74 33.41 o -5 -13 1 172.39 182.73 32.30 o 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