#------------------------------------------------------------------------------ #$Date: 2016-05-21 04:41:30 +0300 (Sat, 21 May 2016) $ #$Revision: 183067 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/33/1543351.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_1543351 _cell_angle_alpha 90.000 _cell_angle_beta 109.639 _cell_angle_gamma 90.000 _cell_length_a 19.2938 _cell_length_b 7.8839 _cell_length_c 19.6969 _exptl_crystal_F_000 1664.00 _reflns_d_resolution_high 0.7488 _cod_data_source_file zl4008Isup2.hkl _cod_data_source_block I _shelx_title ' Rillem10 in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 477.12 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -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 4 0 0 5575.58 5882.60 601.45 o 6 0 0 174439.94 183054.80 7160.14 o 8 0 0 147121.47 153811.77 5379.53 o 10 0 0 1394.56 1454.07 186.56 o 12 0 0 29953.22 29721.91 870.25 o 14 0 0 36331.25 34269.79 1008.01 o 16 0 0 8820.35 8280.50 607.62 o 18 0 0 1095.00 742.56 255.64 o 20 0 0 11591.58 10879.63 549.71 o 22 0 0 6435.18 5422.80 933.50 o 1 1 0 121527.02 127434.64 3049.84 o 2 1 0 186977.38 203305.27 2674.61 o 3 1 0 58736.26 61126.72 869.43 o 4 1 0 89002.52 90233.55 1302.27 o 5 1 0 22737.55 22909.26 572.46 o 6 1 0 39136.52 37723.24 642.06 o 7 1 0 39190.07 37275.09 689.62 o 8 1 0 12791.62 12606.27 327.54 o 9 1 0 1482.74 1242.88 123.78 o 10 1 0 90227.65 93032.21 2273.19 o 11 1 0 4164.33 3859.63 199.57 o 12 1 0 35059.30 34805.65 775.13 o 13 1 0 20901.43 20824.96 526.70 o 14 1 0 721.43 658.19 154.87 o 15 1 0 1853.55 1673.57 184.47 o 16 1 0 8918.06 8373.15 333.96 o 17 1 0 4279.33 4284.77 238.35 o 18 1 0 17443.67 15940.72 448.61 o 19 1 0 10369.29 10324.68 371.49 o 20 1 0 6271.85 6546.33 472.60 o 21 1 0 2179.39 2469.72 282.95 o 22 1 0 36.09 288.52 312.21 o 23 1 0 180.90 1566.81 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