#------------------------------------------------------------------------------ #$Date: 2016-04-02 22:22:23 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180856 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/87/2018776.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_2018776_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 5 _symmetry_space_group_name_Hall 'C 2y' _symmetry_space_group_name_H-M 'C 1 2 1' _cell_angle_alpha 90.000 _cell_angle_beta 99.337 _cell_angle_gamma 90.000 _cell_length_a 21.8568 _cell_length_b 8.0321 _cell_length_c 16.8886 _exptl_crystal_F_000 1704.00 _reflns_d_resolution_high 0.7273 _cod_data_source_file eg3103IIsup4.hkl _cod_data_source_block II #BEGIN Tags that were not found in dictionaries: _shelx_title ' II BIO-AGNO3 IPDS2 -100DEGC' _shelx_refln_list_code 4 _shelx_f_calc_maximum 417.04 _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' 'x+1/2, y+1/2, z' '-x+1/2, 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 1 -11 0 449.56 393.66 93.88 o 0 -10 0 12874.34 13060.32 115.85 o 2 -10 0 10801.56 10604.85 74.73 o 4 -10 0 5755.38 5679.50 107.98 o 6 -10 0 262.30 245.72 58.05 o 8 -10 0 391.89 483.45 62.57 o 10 -10 0 662.39 614.66 64.96 o 12 -10 0 900.36 880.15 68.88 o 1 -9 0 23.58 48.75 45.89 o 3 -9 0 588.25 548.17 45.98 o 5 -9 0 617.05 661.78 52.79 o 7 -9 0 1445.61 1485.01 57.98 o 9 -9 0 1679.22 1677.10 67.83 o 11 -9 0 5756.82 5792.27 71.47 o 13 -9 0 3926.63 3884.97 72.71 o 15 -9 0 1290.07 1302.88 67.64 o 17 -9 0 761.76 636.79 80.78 o 0 -8 0 13984.13 14073.35 95.61 o 2 -8 0 14133.83 14229.76 177.84 o 4 -8 0 11121.24 11064.46 72.41 o 6 -8 0 3072.71 3111.80 50.67 o 8 -8 0 1168.51 1195.22 47.37 o 10 -8 0 1297.02 1392.47 61.09 o 12 -8 0 1874.52 1984.71 52.53 o 14 -8 0 3888.32 4005.32 98.13 o 16 -8 0 1915.68 1978.75 72.16 o 18 -8 0 2172.89 2145.46 77.04 o 20 -8 0 83.54 46.11 67.74 o 1 -7 0 132.43 151.73 39.19 o 3 -7 0 3716.84 3738.72 50.13 o 5 -7 0 3439.63 3553.98 50.79 o 7 -7 0 10807.30 10960.54 90.15 o 9 -7 0 573.11 615.01 47.88 o 11 -7 0 3810.67 3780.82 56.35 o 13 -7 0 985.10 1035.24 53.11 o 15 -7 0 675.49 723.92 48.99 o 17 -7 0 1090.89 1081.08 52.41 o 19 -7 0 1527.48 1570.90 64.48 o 21 -7 0 2438.04 2275.53 59.08 o 0 -6 0 47650.79 46780.34 388.38 o 2 -6 0 29100.51 29944.15 299.14 o 4 -6 0 20085.51 20632.06 130.45 o 6 -6 0 4697.66 4523.76 48.67 o 8 -6 0 531.42 565.35 39.28 o 10 -6 0 7719.89 7732.88 58.28 o 12 -6 0 2978.90 2864.32 85.13 o 14 -6 0 2947.95 3111.29 50.52 o 16 -6 0 989.73 1062.99 45.98 o 18 -6 0 1675.40 1727.29 54.65 o 20 -6 0 809.82 847.99 58.51 o 22 -6 0 113.09 132.17 57.15 o 24 -6 0 175.75 132.69 68.59 o 1 -5 0 227.75 215.94 41.10 o 3 -5 0 3296.22 3299.37 47.17 o 5 -5 0 1578.51 1537.10 45.04 o 7 -5 0 3646.98 3727.37 50.12 o 9 -5 0 5459.81 5287.43 51.14 o 11 -5 0 11619.64 11970.85 123.26 o 13 -5 0 9673.18 9669.19 105.53 o 15 -5 0 2687.20 2684.14 46.24 o 17 -5 0 496.15 561.75 44.40 o 19 -5 0 114.81 125.10 42.98 o 21 -5 0 3836.90 3837.41 87.79 o 23 -5 0 9916.17 9824.92 260.96 o 25 -5 0 8913.98 8144.00 512.26 o 0 -4 0 80979.54 79956.41 1099.50 o 2 -4 0 81519.66 82328.63 477.32 o 4 -4 0 59512.55 62444.73 429.63 o 6 -4 0 28292.51 29938.19 303.19 o 8 -4 0 10485.10 11003.94 91.19 o 10 -4 0 10413.34 10814.02 111.77 o 12 -4 0 5219.94 5182.07 57.77 o 14 -4 0 5316.41 5102.78 66.89 o 16 -4 0 6002.52 6141.87 62.81 o 18 -4 0 3253.63 3263.68 56.12 o 20 -4 0 2041.87 1971.33 57.80 o 22 -4 0 34.14 -4.44 64.87 o 24 -4 0 320.88 330.04 71.11 o 26 -4 0 418.29 466.81 73.96 o 1 -3 0 1954.15 1923.33 50.46 o 3 -3 0 15096.90 15546.66 197.25 o 5 -3 0 8919.30 8873.50 68.35 o 7 -3 0 4651.57 4554.26 51.62 o 9 -3 0 12317.48 12268.35 76.14 o 11 -3 0 21932.85 22557.78 188.74 o 13 -3 0 4346.36 4555.62 52.68 o 15 -3 0 572.14 666.85 45.97 o 17 -3 0 3088.85 3099.05 54.16 o 19 -3 0 1458.05 1616.42 87.00 o 21 -3 0 4214.43 4040.52 77.57 o 23 -3 0 10242.03 10347.54 562.72 o 25 -3 0 4119.60 4146.67 78.50 o 27 -3 0 1606.64 1411.01 79.50 o 2 -2 0 22936.13 23394.42 270.18 o 4 -2 0 30609.37 30707.49 145.91 o 6 -2 0 62155.45 63063.39 1357.59 o 8 -2 0 6567.87 6611.84 153.05 o 10 -2 0 4830.34 5143.59 61.63 o 12 -2 0 9410.85 9868.18 113.13 o 14 -2 0 8834.85 8633.82 75.87 o 16 -2 0 6030.48 6003.66 160.18 o 18 -2 0 4973.31 4931.24 59.06 o 20 -2 0 2169.97 2226.21 69.43 o 22 -2 0 30.02 36.31 69.52 o 24 -2 0 168.37 176.81 61.21 o 26 -2 0 127.70 122.53 67.25 o 28 -2 0 200.25 135.44 76.36 o 1 -1 0 323.51 377.24 60.69 o 3 -1 0 503.86 603.95 60.49 o 5 -1 0 15596.10 16163.25 175.74 o 7 -1 0 10380.74 10606.95 130.67 o 9 -1 0 27211.01 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12010.22 84.01 o 17 1 0 884.07 792.38 61.17 o 19 1 0 177.44 218.75 61.08 o 21 1 0 3355.52 3224.71 64.68 o 23 1 0 9304.09 9221.37 204.58 o 25 1 0 13597.07 13521.94 336.36 o 27 1 0 6748.26 6578.44 230.36 o 29 1 0 4772.29 4879.55 234.31 o 2 2 0 23590.55 23111.60 331.95 o 4 2 0 28496.32 28367.64 147.50 o 6 2 0 62678.57 62313.28 395.66 o 8 2 0 6671.06 6484.35 67.84 o 10 2 0 5145.77 5422.91 75.28 o 12 2 0 10172.51 10485.74 88.43 o 14 2 0 8714.86 8288.00 231.81 o 16 2 0 5581.27 5367.59 76.75 o 18 2 0 4674.09 4637.46 68.51 o 20 2 0 2235.11 2303.32 61.30 o 22 2 0 38.13 43.83 70.30 o 24 2 0 173.58 184.99 75.69 o 26 2 0 125.47 161.44 68.68 o 28 2 0 191.11 124.69 74.18 o 1 3 0 2013.72 1865.81 43.09 o 3 3 0 15125.29 15237.51 158.83 o 5 3 0 8597.00 8442.10 159.56 o 7 3 0 4789.74 4697.51 60.98 o 9 3 0 12594.32 12403.72 196.29 o 11 3 0 21791.12 22054.80 305.56 o 13 3 0 3981.57 4131.05 65.70 o 15 3 0 503.36 612.92 62.62 o 17 3 0 3079.19 2907.59 62.38 o 19 3 0 1618.50 1412.35 98.46 o 21 3 0 4005.94 3895.97 100.40 o 23 3 0 9989.48 9777.41 100.42 o 25 3 0 3848.67 3999.06 102.10 o 27 3 0 1521.44 1502.75 95.15 o 0 4 0 80269.60 75939.11 1848.63 o 2 4 0 80638.72 77850.70 1169.42 o 4 4 0 56863.11 58607.72 534.93 o 6 4 0 28996.03 30496.53 267.58 o 8 4 0 10661.06 11376.53 156.72 o 10 4 0 10275.90 10774.49 149.35 o 12 4 0 5317.20 5478.55 226.20 o 14 4 0 5679.63 5507.52 105.57 o 16 4 0 5950.99 5928.41 88.42 o 18 4 0 3286.68 3394.04 66.62 o 20 4 0 2072.58 2051.58 63.38 o 22 4 0 48.65 105.15 60.54 o 24 4 0 323.21 266.51 67.92 o 26 4 0 420.54 436.15 90.79 o 1 5 0 241.53 234.96 37.59 o 3 5 0 3348.46 3228.82 54.68 o 5 5 0 1448.13 1353.87 57.54 o 7 5 0 3308.80 3260.18 108.13 o 9 5 0 5915.01 5813.23 74.10 o 11 5 0 11640.87 11844.53 174.00 o 13 5 0 9876.18 9635.08 157.26 o 15 5 0 2790.21 2728.28 78.23 o 17 5 0 532.17 479.20 67.77 o 19 5 0 153.34 135.93 100.85 o 21 5 0 4016.66 4207.97 90.87 o 23 5 0 10120.16 10002.51 117.04 o 25 5 0 8798.08 8237.69 120.03 o 0 6 0 49165.21 49166.98 1767.58 o 2 6 0 29339.31 29929.29 413.05 o 4 6 0 19874.13 20098.15 165.99 o 6 6 0 4621.91 4416.38 59.56 o 8 6 0 548.52 499.37 44.58 o 10 6 0 7856.37 7831.46 93.56 o 12 6 0 3122.32 3051.17 97.39 o 14 6 0 3104.02 3102.25 84.85 o 16 6 0 1007.97 1186.65 102.26 o 18 6 0 1593.59 1693.48 112.30 o 20 6 0 825.81 906.09 118.30 o 22 6 0 117.57 166.20 86.21 o 24 6 0 160.52 212.92 135.53 o 1 7 0 148.25 161.92 36.29 o 3 7 0 3752.26 3700.37 70.60 o 5 7 0 3412.10 3679.59 116.91 o 7 7 0 10479.12 10337.69 76.08 o 9 7 0 690.70 659.31 51.00 o 11 7 0 3638.07 3547.42 79.67 o 13 7 0 1063.09 940.82 106.07 o 15 7 0 650.04 632.38 110.88 o 17 7 0 1065.93 1134.51 86.62 o 19 7 0 1441.75 1573.50 124.93 o 21 7 0 2396.98 2534.90 135.57 o 0 8 0 13722.39 13665.52 307.73 o 2 8 0 13803.10 13778.00 135.85 o 4 8 0 10816.77 10919.64 151.26 o 6 8 0 3077.00 3145.43 63.10 o 8 8 0 1172.08 1228.98 55.81 o 10 8 0 1349.77 1393.64 111.29 o 12 8 0 1743.15 1743.44 118.11 o 14 8 0 3738.02 3880.19 101.50 o 16 8 0 1907.04 2112.04 129.55 o 18 8 0 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