#------------------------------------------------------------------------------ #$Date: 2019-08-20 07:07:28 +0300 (Tue, 20 Aug 2019) $ #$Revision: 217609 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/17/2021748.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_2021748 _cell_angle_alpha 106.232 _cell_angle_beta 94.712 _cell_angle_gamma 100.804 _cell_length_a 11.1726 _cell_length_b 17.3565 _cell_length_c 18.1282 _exptl_crystal_F_000 1848.00 _reflns_d_resolution_high 0.8380 _cod_data_source_file sk3729Isup2.hkl _cod_data_source_block I _shelx_title ' AYY262Zn84-2 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 279.44 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' 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 3 0 0 1104.44 763.68 12.08 o 4 0 0 115.91 148.78 7.18 o 5 0 0 2556.01 2743.19 27.33 o 6 0 0 114.85 126.50 7.42 o 7 0 0 1583.61 1530.08 18.89 o 8 0 0 4401.63 4503.09 44.98 o 9 0 0 777.90 773.28 14.97 o 10 0 0 568.43 492.89 14.39 o 11 0 0 608.20 619.36 22.13 o 12 0 0 41.95 72.73 14.19 o -13 1 0 2696.70 2631.33 51.48 o -12 1 0 490.23 474.59 25.36 o -11 1 0 2240.84 2091.73 32.09 o -10 1 0 135.38 106.82 7.51 o -9 1 0 15445.14 15963.48 136.62 o -8 1 0 1941.99 1995.78 21.99 o -7 1 0 2626.47 3056.97 29.56 o -6 1 0 815.78 822.66 12.32 o -5 1 0 14824.94 14650.12 142.54 o -4 1 0 787.99 648.15 9.50 o -3 1 0 9866.25 9341.37 206.88 o -2 1 0 1958.82 1566.91 17.70 o 2 1 0 1614.81 1365.14 14.48 o 4 1 0 291.64 269.42 6.86 o 5 1 0 2368.71 2361.90 26.50 o 6 1 0 3898.26 3581.23 35.58 o 7 1 0 18475.91 18551.95 167.82 o 8 1 0 28.33 33.36 6.56 o 9 1 0 1448.08 1478.69 20.59 o 10 1 0 2396.21 2438.62 37.93 o 11 1 0 1193.45 1291.15 69.65 o 12 1 0 21.87 43.62 14.80 o -13 2 0 1058.96 1074.46 42.53 o -12 2 0 1577.87 1592.86 32.66 o -11 2 0 28.41 14.97 9.06 o -10 2 0 4169.75 4391.78 45.66 o -9 2 0 1060.65 1018.70 15.74 o -8 2 0 5633.23 5721.33 51.73 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6554.71 6652.22 57.74 o 3 7 0 38418.36 36269.74 323.18 o 4 7 0 1265.53 1132.81 15.34 o 5 7 0 695.48 649.17 12.58 o 6 7 0 2398.98 2352.95 25.40 o 7 7 0 4242.00 4285.30 41.39 o 8 7 0 1311.03 1206.72 22.26 o 9 7 0 6127.81 6193.92 82.31 o 10 7 0 37.55 39.04 14.24 o 11 7 0 3415.53 3615.38 56.20 o -13 8 0 793.28 798.67 33.21 o -12 8 0 38.68 63.86 12.41 o -11 8 0 59.92 103.24 10.17 o -10 8 0 11033.45 11128.19 123.21 o -9 8 0 305.00 272.96 13.90 o -8 8 0 21092.36 21360.43 193.49 o -7 8 0 824.49 878.97 14.39 o -6 8 0 13223.75 14278.80 228.14 o -5 8 0 3612.65 3663.71 36.50 o -4 8 0 19.85 76.84 4.83 o -3 8 0 46.91 35.74 3.70 o -2 8 0 5746.98 6610.34 89.16 o -1 8 0 13.08 5.25 4.30 o 0 8 0 16174.34 16917.48 152.06 o 1 8 0 2842.28 2866.97 31.06 o 2 8 0 17051.09 16886.49 142.55 o 3 8 0 777.47 702.37 12.09 o 4 8 0 544.69 480.63 11.22 o 5 8 0 1766.37 1672.52 21.09 o 6 8 0 158.66 143.53 9.91 o 7 8 0 21.19 34.21 6.75 o 8 8 0 983.05 993.19 22.16 o 9 8 0 958.44 952.50 26.46 o 10 8 0 881.56 827.71 27.08 o 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