#------------------------------------------------------------------------------ #$Date: 2016-04-28 04:45:49 +0300 (Thu, 28 Apr 2016) $ #$Revision: 182302 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/16/2241665.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_2241665 _cell_angle_alpha 90.000 _cell_angle_beta 100.844 _cell_angle_gamma 90.000 _cell_length_a 27.1825 _cell_length_b 8.5374 _cell_length_c 26.0667 _exptl_crystal_F_000 4960.00 _reflns_d_resolution_high 0.7696 _cod_data_source_file rz5188Isup2.hkl _cod_data_source_block I _shelx_title ' kravch18b in I2/a' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1585.21 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y, -z' 'x+1/2, y+1/2, z+1/2' '-x+1, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y, z' '-x+1/2, -y+1/2, -z+1/2' '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 4 0 0 408844.44 333793.94 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308.71 o 31 1 0 15904.62 16595.08 1416.52 o 33 1 0 3048.07 2193.97 712.51 o 0 2 0 27099.19 25790.42 435.61 o 2 2 0 79836.99 85053.62 734.16 o 4 2 0 1870512.75 1786211.88 8304.23 o 6 2 0 294442.03 331837.56 2674.37 o 8 2 0 1323415.88 1309611.12 6578.88 o 10 2 0 34951.84 34035.05 563.22 o 12 2 0 12399.86 9199.69 416.20 o 14 2 0 18278.88 20085.79 709.22 o 16 2 0 520.98 3328.91 595.23 o 18 2 0 33834.69 38007.02 603.46 o 20 2 0 116401.45 115365.30 1406.12 o 22 2 0 4099.09 4279.12 261.76 o 24 2 0 61723.42 59662.65 2312.49 o 26 2 0 1527.07 1036.94 234.00 o 28 2 0 6562.54 6042.44 473.35 o 30 2 0 3922.46 4977.36 634.70 o 32 2 0 3080.05 2973.54 488.97 o 34 2 0 1751.23 2020.15 471.05 o 1 3 0 35431.74 36398.56 524.60 o 3 3 0 36860.89 35150.71 586.50 o 5 3 0 105976.71 97801.38 991.15 o 7 3 0 111840.19 114231.97 1164.79 o 9 3 0 328632.12 313069.69 2144.47 o 11 3 0 88719.67 79649.57 1247.34 o 13 3 0 48450.79 46369.15 1003.63 o 15 3 0 11648.94 9831.88 422.96 o 17 3 0 273.48 651.01 124.74 o 19 3 0 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936.04 1536.53 135.75 o 13 5 0 2687.45 3123.10 181.91 o 15 5 0 627.54 1594.37 151.17 o 17 5 0 1076.52 1222.20 216.83 o 19 5 0 21067.36 21491.94 681.42 o 21 5 0 22470.73 26230.53 824.44 o 23 5 0 8504.65 8485.48 495.55 o 25 5 0 3461.09 2805.89 317.48 o 27 5 0 452.86 902.46 262.82 o 29 5 0 2184.94 2002.78 330.19 o 0 6 0 314354.88 341945.34 3173.80 o 2 6 0 12871.53 12973.98 436.75 o 4 6 0 6840.72 7251.03 289.86 o 6 6 0 18603.16 17223.23 393.75 o 8 6 0 15253.05 12801.52 324.37 o 10 6 0 8830.22 7739.57 254.11 o 12 6 0 62706.80 59493.73 863.63 o 14 6 0 1298.88 2309.37 261.64 o 16 6 0 61648.43 61546.97 1265.37 o 18 6 0 15716.22 15132.79 569.10 o 20 6 0 1393.58 1700.96 280.25 o 22 6 0 1503.71 2473.20 359.33 o 24 6 0 2401.03 2816.30 346.00 o 26 6 0 3016.14 2396.90 370.56 o 28 6 0 11990.67 10969.87 695.99 o 1 7 0 451961.41 445879.69 5477.03 o 3 7 0 89109.59 91973.93 1590.96 o 5 7 0 46247.10 48667.93 845.23 o 7 7 0 152.14 116.39 139.27 o 9 7 0 2065.02 2540.25 220.46 o 11 7 0 86586.35 86142.62 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