#------------------------------------------------------------------------------ #$Date: 2009-09-11 11:49:26 +0300 (Fri, 11 Sep 2009) $ #$Revision: 819 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2222119.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_2222119_Fobs loop_ _publ_author_name 'Bokach, Nadezhda A.' 'Kukushkin, Vadim Yu.' 'Haukka, Matti' _publ_section_title ; trans-Tetrachloridobis(diphenylacetonitrile)platinum(IV) ; _journal_coeditor_code PV2142 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m636 _journal_volume 65 _journal_year 2009 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 92.236 _cell_angle_beta 101.601 _cell_angle_gamma 98.565 _cell_length_a 5.7980 _cell_length_b 10.8650 _cell_length_c 11.2200 _exptl_crystal_F_000 350.00 _reflns_d_resolution_high 0.7715 _[local]_cod_data_source_file pv2142Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' bn409d in P-1 (SIR2K4, yellow needle)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 129.06 _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' loop_ _refln_index_h _refln_index_k _refln_index_l 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1479.56 1603.75 91.52 o -4 -4 7 1479.56 1476.88 84.83 o -4 -4 7 1479.56 1432.25 73.19 o -4 -4 7 1479.56 1455.00 87.74 o 4 4 -6 1319.14 1468.90 79.12 o 4 4 -6 1319.14 1213.54 82.25 o 4 4 -6 1319.14 1437.75 83.86 o 4 4 -6 1319.14 1443.57 84.40 o -4 -4 6 1319.14 1342.89 70.17 o -4 -4 6 1319.14 1306.57 68.66 o -4 -4 6 1319.14 1344.94 79.55 o 4 4 -5 875.11 923.14 60.90 o 4 4 -5 875.11 1364.13 66.94 o 4 4 -5 875.11 1235.42 79.44 o 4 4 -5 875.11 887.68 81.38 o -4 -4 5 875.11 1232.94 64.14 o -4 -4 5 875.11 924.01 51.20 o -4 -4 5 875.11 905.79 59.50 o 4 4 -4 831.98 863.53 47.64 o 4 4 -4 831.98 856.42 49.80 o 4 4 -4 831.98 959.58 58.42 o 4 4 -4 831.98 955.91 54.65 o -4 -4 4 831.98 822.90 48.83 o -4 -4 4 831.98 836.37 46.03 o -4 -4 4 831.98 842.84 54.87 o 4 4 -3 1421.94 1427.08 66.08 o 4 4 -3 1421.94 1502.86 86.45 o 4 4 -3 1421.94 1514.39 72.55 o 4 4 -3 1421.94 1614.21 94.54 o -4 -4 3 1421.94 1389.68 77.83 o -4 -4 3 1421.94 1509.97 68.66 o -4 -4 3 1421.94 1511.59 80.31 o 4 4 -2 2406.24 2436.57 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732.35 56.70 o -4 -5 4 451.71 484.10 41.07 o -4 -5 4 451.71 454.57 46.89 o 4 5 -3 717.75 774.39 53.57 o 4 5 -3 717.75 744.42 53.14 o 4 5 -3 717.75 761.67 69.85 o 4 5 -3 717.75 969.71 71.68 o -4 -5 3 717.75 717.80 50.34 o -4 -5 3 717.75 699.90 49.37 o -4 -5 3 717.75 724.27 50.88 o 4 5 -2 1438.03 1548.13 72.65 o 4 5 -2 1438.03 1422.98 93.78 o 4 5 -2 1438.03 1353.89 74.38 o 4 5 -2 1438.03 1484.96 89.15 o -4 -5 2 1438.03 1463.62 90.87 o -4 -5 2 1438.03 1432.79 75.24 o -4 -5 2 1438.03 1464.92 84.40 o 4 5 -1 849.99 834.11 63.81 o 4 5 -1 849.99 846.83 59.50 o 4 5 -1 849.99 1027.60 78.37 o -4 -5 1 849.99 783.44 64.78 o -4 -5 1 849.99 954.51 61.87 o -4 -5 1 849.99 873.67 61.23 o 4 5 0 586.69 753.26 61.87 o 4 5 0 586.69 688.37 48.18 o 4 5 0 586.69 852.76 65.00 o 4 5 0 586.69 861.70 77.50 o -4 -5 0 586.69 628.11 51.85 o -4 -5 0 586.69 741.73 65.43 o -4 -5 0 586.69 652.47 49.59 o 4 5 1 824.10 993.53 77.50 o 4 5 1 824.10 794.01 61.12 o 4 5 1 824.10 1281.88 73.41 o 4 5 1 824.10 1125.58 91.62 o -4 -5 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