#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2012430.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_2012430_Fobs loop_ _publ_author_name 'Centore, Roberto' 'Roviello, Antonio' 'Tuzi, Angela' 'Panunzi, Barbara' _publ_section_title ; Two orthopalladated chromophores ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m26 _journal_page_last m28 _journal_volume 58 _journal_year 2002 _space_group_IT_number 29 _symmetry_space_group_name_Hall 'P 2c -2ac' _symmetry_space_group_name_H-M 'P c a 21' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 24.4110 _cell_length_b 14.4790 _cell_length_c 7.6300 _exptl_crystal_F_000 1288.00 _reflns_d_resolution_high 0.7115 _[local]_cod_data_source_file gd1166Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' GD1166 COMPOUND (1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 325.61 _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, z' '-x+1/2, y, 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 0 0 -10 139.37 -96.41 268.74 o 2 0 -10 118.53 216.36 237.61 o 4 0 -10 724.83 792.92 168.91 o 6 0 -10 32.42 22.39 151.07 o 8 0 -10 462.61 37.58 285.82 o 10 0 -10 42.09 -102.86 247.10 o 12 0 -10 266.98 -39.48 266.08 o 0 1 -10 249.93 284.30 157.14 o 1 1 -10 153.31 -303.28 303.28 o 2 1 -10 32.57 212.18 266.08 o 3 1 -10 258.36 457.76 157.90 o 4 1 -10 340.26 332.88 164.73 o 5 1 -10 69.43 134.75 252.03 o 6 1 -10 15.48 197.38 149.17 o 7 1 -10 172.20 161.32 256.97 o 8 1 -10 418.92 433.85 161.70 o 9 1 -10 13.05 -216.36 264.56 o 10 1 -10 128.61 -89.96 263.42 o 11 1 -10 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290.20 146.89 o 7 17 0 16.71 -49.56 135.12 o 8 17 0 604.77 745.70 87.17 o 9 17 0 12.14 225.65 79.31 o 10 17 0 161.33 248.14 101.54 o 11 17 0 3.44 -26.43 140.17 o 12 17 0 463.10 606.06 91.89 o 13 17 0 12.23 48.21 100.89 o 14 17 0 37.86 135.56 147.21 o 15 17 0 16.07 -144.92 144.92 o 16 17 0 89.52 213.44 106.85 o 17 17 0 4.92 13.33 153.49 o 18 17 0 250.79 202.96 166.82 o 0 18 0 365.76 483.64 117.86 o 1 18 0 98.32 245.59 169.48 o 2 18 0 54.90 74.23 135.33 o 3 18 0 181.04 93.28 139.24 o 4 18 0 391.83 625.86 85.32 o 5 18 0 163.13 -57.98 255.45 o 6 18 0 38.85 -35.49 160.37 o 7 18 0 245.14 174.56 107.86 o 8 18 0 80.15 72.63 146.88 o 9 18 0 4.32 126.51 142.87 o 10 18 0 0.51 -0.64 257.54 o 11 18 0 353.27 540.30 189.41 o 12 18 0 72.13 7.90 136.84 o 13 18 0 0.29 185.84 90.56 o 14 18 0 145.03 249.20 118.67 o 15 18 0 350.46 508.50 103.89 o 0 19 0 63.65 -83.06 148.96 o 1 19 0 236.99 162.90 161.70 o 2 19 0 0.02 -27.27 142.50 o 3 19 0 89.72 178.75 147.06 o 4 19 0 6.58 158.50 187.51 o 5 19 0 69.27 31.68 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