#------------------------------------------------------------------------------ #$Date: 2016-04-02 22:24:05 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180860 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/91/2019162.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_2019162_Fobs loop_ _publ_author_name 'Yurkerwich, Kevin' 'Rong, Yi' 'Parkin, Gerard' _publ_section_title ; Gallium hydride and monovalent indium compounds that feature tris(pyrazolyl)hydroborate ligands ; _journal_coeditor_code YP3041 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 963 _journal_page_last 967 _journal_volume 69 _journal_year 2013 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 93.952 _cell_angle_gamma 90.000 _cell_length_a 9.5170 _cell_length_b 17.7532 _cell_length_c 19.7630 _exptl_crystal_F_000 1448.00 _reflns_d_resolution_high 0.8400 _cod_data_source_file yp3041IIIsup4.hkl _cod_data_source_block III #BEGIN Tags that were not found in dictionaries: _shelx_title ' ky85s10 in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 325.46 _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+1/2, -z+1/2' '-x, -y, -z' '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 1 0 0 19806.38 19709.65 505.56 o 2 0 0 56721.09 60436.92 1689.52 o 3 0 0 1646.22 1397.47 222.64 o 4 0 0 12320.85 12415.03 523.89 o 5 0 0 84.03 78.80 360.88 o 6 0 0 20687.58 19436.88 692.57 o 7 0 0 2697.28 2902.43 329.89 o 8 0 0 413.01 661.31 674.94 o 9 0 0 663.04 -108.22 498.11 o 10 0 0 192.32 -66.05 579.65 o 11 0 0 1265.89 400.19 662.66 o 1 1 0 9663.02 10828.75 295.49 o 2 1 0 46681.20 49239.12 864.54 o 3 1 0 18.74 -15.66 135.48 o 4 1 0 2.68 -149.50 149.50 o 5 1 0 9337.67 8981.99 311.60 o 6 1 0 7183.81 6610.26 294.68 o 7 1 0 2101.17 1872.83 216.57 o 8 1 0 1570.87 1229.57 253.06 o 9 1 0 7276.75 7199.10 514.67 o 10 1 0 723.80 589.73 433.11 o 11 1 0 2.61 -116.38 444.73 o 0 2 0 80.45 -52.02 97.00 o 1 2 0 10498.51 11372.36 270.95 o 2 2 0 276.47 346.24 109.72 o 3 2 0 741.33 1014.00 158.42 o 4 2 0 135.17 -83.77 141.15 o 5 2 0 114.64 84.48 152.58 o 6 2 0 2773.08 2908.93 214.11 o 7 2 0 660.34 781.87 222.69 o 8 2 0 2904.71 2753.09 389.32 o 9 2 0 1.31 -298.34 298.34 o 10 2 0 1427.59 496.06 440.30 o 11 2 0 104.61 -5.88 445.35 o 1 3 0 21441.32 21560.05 422.52 o 2 3 0 2129.16 2120.46 160.56 o 3 3 0 3726.82 4219.39 191.29 o 4 3 0 4483.48 4128.77 206.21 o 5 3 0 1013.53 1250.26 162.85 o 6 3 0 520.95 481.80 168.94 o 7 3 0 6412.96 5785.25 327.54 o 8 3 0 5573.11 6089.40 410.19 o 9 3 0 81.28 146.72 338.30 o 10 3 0 2828.99 3058.93 424.90 o 11 3 0 1076.04 890.89 699.01 o 0 4 0 85.01 146.45 188.65 o 1 4 0 6004.06 6065.81 232.22 o 2 4 0 29624.96 28868.26 617.36 o 3 4 0 228.49 24.30 149.66 o 4 4 0 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7 0 1088.57 1031.29 273.46 o 7 7 0 411.23 624.78 291.66 o 8 7 0 374.35 472.71 317.81 o 9 7 0 1929.18 1489.25 375.43 o 10 7 0 1343.45 1778.22 417.26 o 0 8 0 130.10 30.14 267.58 o 1 8 0 22113.70 21656.54 493.55 o 2 8 0 6664.78 6730.90 277.01 o 3 8 0 873.63 701.46 150.56 o 4 8 0 886.89 862.39 229.93 o 5 8 0 3210.86 3088.71 306.35 o 6 8 0 1453.16 1378.56 287.70 o 7 8 0 514.59 481.15 282.22 o 8 8 0 104.90 401.75 319.83 o 9 8 0 37.80 -270.55 319.13 o 10 8 0 74.62 581.44 377.28 o 1 9 0 102.07 -160.13 160.13 o 2 9 0 7321.58 7103.91 291.19 o 3 9 0 889.87 738.06 228.21 o 4 9 0 7825.90 8245.13 363.91 o 5 9 0 446.32 295.92 245.78 o 6 9 0 118.57 482.73 280.13 o 7 9 0 116.18 437.70 296.86 o 8 9 0 1493.75 1073.08 353.71 o 9 9 0 138.27 -336.49 336.49 o 10 9 0 725.90 1467.92 421.00 o 0 10 0 28.49 68.24 238.57 o 1 10 0 949.74 846.60 181.15 o 2 10 0 1818.84 1852.97 194.47 o 3 10 0 12028.82 10834.69 402.73 o 4 10 0 384.32 420.38 211.80 o 5 10 0 2864.46 3181.47 327.23 o 6 10 0 199.64 -187.64 279.23 o 7 10 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